NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3695 8.3049 120.3240 54.9381 33.3940 173.9557 2 S 3.8734 8.5187 116.2413 59.9868 62.9943 171.9528 3 N 4.1256 9.5195 125.7815 53.8159 35.4762 172.3909 4 D 4.6600 7.9676 118.1600 54.5701 42.2138 175.1397 5 T 4.8023 8.4845 120.9402 63.3433 76.4400 173.7396 6 P 4.2499 0.0000 0.0000 66.3163 31.1981 178.0562 7 F 4.1844 8.2053 120.7346 60.1070 39.4778 176.5085 8 D 4.3953 8.3690 117.1834 57.4245 40.9974 178.1091 9 A 3.9499 8.3808 121.3437 55.1261 18.4370 179.3846 10 L 3.8929 8.1489 117.8957 57.7209 41.6905 179.6528 11 W 4.1787 8.3172 128.2336 60.7727 30.6793 178.0146 12 Q 3.7935 8.0334 117.8472 58.7976 27.7859 179.1512 13 R 3.8006 7.9440 119.0679 59.5625 30.4896 178.7788 14 M 3.7453 7.8362 116.1592 57.7601 31.2423 178.1425 15 L 3.9889 8.1731 121.8790 58.0862 42.0499 178.6010 16 A 4.0821 7.6148 117.8692 53.7772 18.4057 178.6755 17 R 4.0649 7.2290 115.4432 56.0716 30.3319 177.0459 18 G 4.0985 7.7699 108.0271 44.9691 0.0000 173.2346 19 W 5.1605 7.8672 119.7762 54.9986 30.1715 176.4467 20 T 4.2642 8.3528 116.3024 61.0871 69.6212 172.3423 21 P 5.3713 0.0000 0.0000 62.4803 32.2023 175.9355 22 V 4.1328 8.8050 122.9632 59.8721 34.5714 175.0923 23 S 4.6477 8.4141 116.9750 56.4993 64.3854 174.3666 24 E 3.8628 9.1721 123.9558 59.6498 28.1716 178.9549 25 S 4.0186 8.0867 111.4747 60.1420 62.6569 174.8940 26 R 4.2494 7.4012 119.1705 57.0054 30.3039 177.9676 27 L 4.0116 7.7347 121.4879 58.1541 41.9927 178.2596 28 D 4.2804 8.0552 117.6314 57.0970 41.1778 177.4098 29 D 4.2735 7.6147 118.8875 57.1805 41.2529 177.8294 30 W 3.9301 8.8677 129.1364 60.4818 30.4183 177.4813 31 L 3.9625 8.0192 119.1030 58.5868 41.6036 178.5289 32 T 4.1242 7.5642 111.0337 64.5312 67.4213 176.1265 33 Q 4.0398 8.1660 119.2347 56.8599 29.2719 176.1669 34 A 4.4777 7.6526 122.6219 50.4571 19.5954 175.6908 35 P 4.3397 0.0000 0.0000 65.4172 32.0702 175.8681 36 D 4.4461 6.8844 115.0550 52.5439 44.0771 174.0072 37 G 4.7849 6.4505 110.3824 45.2328 0.0000 171.4320 38 V 4.9608 8.0342 111.6247 59.5101 36.2489 175.2209 39 V 4.7965 9.2200 123.7940 61.1692 34.3910 174.1226 40 L 4.8951 8.9769 128.7307 53.4568 43.0240 175.5146 41 L 4.6744 8.3445 125.4217 53.3844 43.3002 175.8763 42 S 4.3338 8.6693 119.4393 57.1194 63.4773 173.1697 43 S 4.2341 8.8567 123.4474 58.7833 63.8836 173.8900 44 D 4.7257 7.2668 120.9921 51.2012 42.3787 173.7892 45 P 4.4548 0.0000 0.0000 62.5224 32.0292 176.6858 46 K 4.1194 8.6520 122.4469 59.3298 32.5709 176.5058 47 R 4.2202 8.1633 123.5619 57.0199 34.5686 171.0314 48 T 3.5507 8.1501 119.8675 62.0331 68.6448 170.1387 49 P 4.4614 0.0000 0.0000 65.3095 32.7696 176.6434 50 E 4.2203 8.5186 113.3367 56.2775 29.3255 176.1370 51 V 4.2842 8.2183 122.0571 64.0750 35.3881 174.8598 52 S 4.3762 7.8927 113.4012 57.9882 63.1374 176.0642 53 D 4.4642 8.5664 117.9489 53.7191 40.9744 169.6680 54 N 4.2815 8.2003 120.4133 53.0344 37.5912 170.8971 55 P 4.8005 0.0000 0.0000 62.7748 32.1737 178.1477 56 V 3.5891 7.9705 121.2967 67.0062 31.2237 177.7764 57 M 3.6887 7.8675 115.7869 58.0333 30.9733 178.4773 58 I 3.9449 7.9314 121.5277 64.0460 37.0904 178.5564 59 G 3.7080 8.1234 106.1749 48.1004 0.0000 175.8049 60 E 4.0583 8.1145 119.6312 58.4865 29.7203 178.8093 61 L 4.3620 8.0527 120.6683 58.4760 42.3945 179.1429 62 L 3.6465 7.7397 118.2139 57.4722 41.2651 179.1917 63 R 4.4149 7.5180 116.3230 57.4395 30.2380 177.6429 64 E 4.2535 7.8439 116.4793 56.6969 31.2333 177.1302 65 F 5.0475 7.9189 120.0914 55.3334 38.6952 173.8990 66 P 4.6654 0.0000 0.0000 64.3828 32.0476 178.4639 67 D 4.3119 8.1441 118.5375 56.4171 40.9838 175.6259 68 Y 4.4144 7.4603 117.1730 56.0806 38.8223 175.6464 69 T 4.1204 8.2854 116.0705 60.7777 68.2710 174.7010 70 W 4.4798 8.6490 128.1563 55.9567 29.4040 176.4695 71 Q 4.4094 8.9180 125.7916 55.1233 28.9619 175.8042 72 V 4.2202 8.5140 125.6947 61.9326 32.8739 174.2882 73 A 5.0725 9.1361 131.2855 49.9941 21.2358 174.8869 74 I 4.9147 8.6032 116.3354 59.1445 40.2854 174.7780 75 A 5.2147 7.9966 125.8260 49.0752 21.5872 176.0693 76 D 3.4557 8.1703 118.6876 53.3570 42.0096 177.2507 77 L 3.6478 8.3229 123.5850 58.4272 41.6371 179.1227 78 E 3.9679 8.3892 118.0481 59.0251 29.3214 179.3637 79 Q 3.9942 7.9310 118.1090 58.7391 28.8321 178.2822 80 S 4.0681 8.3583 116.6904 61.6447 62.8627 176.6179 81 E 3.8976 7.8150 120.3948 59.3720 29.2070 179.3667 82 A 4.0053 7.6875 120.3604 55.0847 18.4463 179.8378 83 I 3.7778 8.4603 118.8794 64.3290 37.2022 178.8122 84 G 3.6442 8.3837 107.0055 47.8373 0.0000 174.9381 85 D 4.3192 7.9014 119.5046 57.2945 41.2936 178.3183 86 R 3.9976 7.9476 117.5297 59.0095 30.0943 177.6225 87 F 4.3380 7.9775 119.8150 58.6129 40.1464 175.9657 88 G 3.9211 8.8269 107.1333 45.8357 0.0000 173.2576 89 V 3.8546 7.2610 116.9901 59.5348 33.4892 175.6153 90 F 4.4977 7.6727 118.6308 57.7533 39.3862 175.8022 91 R 4.3820 7.8392 126.9335 56.8202 32.9413 174.7698 92 F 4.1085 8.4617 116.4540 57.6061 39.0730 172.8431 93 P 4.6849 0.0000 0.0000 61.8647 32.1533 175.6744 94 A 4.3650 8.1311 123.7824 52.1391 23.1988 174.4420 95 T 4.5365 8.1557 114.8205 62.8173 69.7929 174.3837 96 L 4.8406 8.7451 128.3315 53.2011 43.6896 176.1558 97 V 4.5007 7.8907 123.8822 59.9506 33.4766 174.8834 98 F 5.4811 8.8055 122.0074 56.1230 42.7348 174.4269 99 T 4.6909 8.9311 118.6161 63.0914 72.4917 174.0488 100 G 4.0848 8.8031 108.9063 46.7073 0.0000 174.4443 101 G 3.9478 8.5800 104.0678 45.6075 0.0000 173.4723 102 N 5.1834 8.3388 116.8751 51.1384 42.0034 172.6786 103 Y 5.0117 8.5596 120.5818 56.7444 39.6140 175.3726 104 R 3.8546 8.2933 127.4569 57.2521 30.8476 177.2707 105 G 3.3425 5.3800 102.8661 45.2775 0.0000 170.5362 106 V 4.6442 7.6035 118.0308 59.5667 33.7590 175.5393 107 L 4.1727 8.6706 124.6186 54.4489 40.3106 176.5512 108 N 4.6252 8.5166 120.8600 53.5232 39.3039 176.2783 109 G 3.9621 7.7248 107.5642 45.2704 0.0000 172.6196 110 I 4.4710 8.1829 121.5094 63.0065 39.9697 176.2809 111 H 4.5359 8.1738 117.8027 58.0943 30.5001 174.0278 112 P 4.3577 0.0000 0.0000 62.2432 32.2122 177.0163 113 W 4.5468 8.8672 132.5343 60.6983 30.7721 177.9645 114 A 3.6238 7.9807 120.2379 54.9714 17.7054 179.0750 115 E 3.8247 7.9872 117.4152 59.0511 29.8522 178.3686 116 L 3.9000 7.9680 120.4512 58.2550 42.1167 178.9981 117 I 3.3549 7.2736 119.5764 64.2956 36.8714 177.8928 118 N 4.2361 7.5551 117.6093 56.5235 38.7428 176.8241 119 L 3.8976 7.9947 120.4743 58.1542 41.7696 179.2877 120 M 3.9371 7.9096 118.0291 58.3489 32.1212 178.0252 121 R 4.0457 8.4729 119.6416 59.6172 30.1172 178.8344 122 G 4.1700 8.2665 106.8464 47.1765 0.0000 175.7278 123 L 3.9673 7.5119 120.5849 57.4337 41.7494 179.3983 124 V 3.9845 7.9662 111.9707 62.2054 32.0345 175.6999 125 E 4.3931 8.3061 120.0908 53.2408 30.1174 173.3873 126 P 4.7337 0.0000 0.0000 62.1448 33.1195 175.6837 127 Q 4.0516 8.7235 122.2446 57.0903 28.6551 174.1882 128 Q 4.2320 7.5960 117.0842 54.3271 27.7201 169.2125 129 E 3.9968 9.1364 126.9714 55.9494 29.3857 175.7811 130 R 4.5866 8.1933 125.4120 54.7935 30.3986 174.5721 131 A 4.0413 8.2072 119.9258 52.4251 18.6684 178.6107 132 S 4.1722 8.3659 118.1607 59.1410 64.0543 174.1371 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 4.37 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 2 S 8.52 3.87 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 9.52 4.13 0.00 2.90 2.92 0.00 0.00 7.22 8.07 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 4 D 7.97 4.66 0.00 2.75 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 5 T 8.48 4.80 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 1.24 0.00 0.00 6 P 0.00 4.25 0.00 2.35 2.33 0.00 3.77 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 2.16 2.08 0.00 7 F 8.21 4.18 0.00 3.16 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 8 D 8.37 4.40 0.00 2.95 2.82 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 0.00 0.00 0.00 9 A 8.38 3.95 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 10 L 8.15 3.89 0.00 1.77 1.73 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.32 4.18 0.00 2.56 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 12 Q 8.03 3.79 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 13 R 7.94 3.80 0.00 1.89 1.90 0.00 3.28 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 14 M 7.84 3.75 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.94 0.00 15 L 8.17 3.99 0.00 1.48 1.58 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.61 4.08 1.25 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 0.00 0.00 0.00 0.00 0.00 17 R 7.23 4.06 0.00 1.16 1.49 0.00 2.49 0.00 0.00 2.74 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 18 G 7.77 4.10 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 0.00 0.00 0.00 19 W 7.87 5.16 0.00 3.29 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 20 T 8.35 4.26 4.50 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 1.46 0.00 0.00 21 P 0.00 5.37 0.00 2.14 2.45 0.00 3.72 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 2.04 2.01 0.00 22 V 8.81 4.13 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 0.55 0.00 0.00 0.68 0.00 0.00 23 S 8.41 4.65 0.00 3.94 3.82 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 0.00 0.00 0.00 24 E 9.17 3.86 0.00 2.19 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 2.30 2.46 0.00 25 S 8.09 4.02 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.40 4.25 0.00 2.24 2.30 0.00 3.50 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 27 L 7.73 4.01 0.00 1.85 1.73 0.63 0.97 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 28 D 8.06 4.28 0.00 2.83 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 29 D 7.61 4.27 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.87 3.93 0.00 3.71 3.06 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 31 L 8.02 3.96 0.00 1.70 1.87 0.87 0.96 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 32 T 7.56 4.12 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 1.28 0.00 0.00 33 Q 8.17 4.04 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.49 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 34 A 7.65 4.48 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 35 P 0.00 4.34 0.00 2.15 2.08 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 36 D 6.88 4.45 0.00 2.21 1.68 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 37 G 6.45 4.78 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 38 V 8.03 4.96 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 0.65 0.00 0.00 0.80 0.00 0.00 39 V 9.22 4.80 2.31 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 1.03 0.00 0.00 0.98 0.00 0.00 40 L 8.98 4.90 0.00 1.63 1.61 0.63 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.34 4.67 0.00 1.59 1.59 0.92 0.66 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 42 S 8.67 4.33 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.86 4.23 0.00 3.81 3.67 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 44 D 7.27 4.73 0.00 2.67 2.50 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 45 P 0.00 4.45 0.00 2.10 2.07 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 46 K 8.65 4.12 0.00 1.80 1.89 0.00 1.97 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.51 7.81 47 R 8.16 4.22 0.00 1.77 1.86 0.00 3.42 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 48 T 8.15 3.55 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 1.31 0.00 0.00 49 P 0.00 4.46 0.00 2.01 2.09 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 50 E 8.52 4.22 0.00 1.94 1.70 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 2.21 2.26 0.00 51 V 8.22 4.28 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 0.93 0.00 0.00 0.95 0.00 0.00 52 S 7.89 4.38 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.57 4.46 0.00 2.87 2.86 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 54 N 8.20 4.28 0.00 2.87 2.98 0.00 0.00 7.14 7.25 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 55 P 0.00 4.80 0.00 2.62 2.43 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 56 V 7.97 3.59 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.92 0.00 0.00 57 M 7.87 3.69 0.00 1.81 1.47 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 58 I 7.93 3.94 2.18 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 1.60 1.28 0.86 0.00 0.00 59 G 8.12 3.71 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 60 E 8.11 4.06 0.00 1.86 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 0.00 2.28 2.22 0.00 61 L 8.05 4.36 0.00 2.41 2.02 0.78 0.65 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 62 L 7.74 3.65 0.00 1.63 1.27 0.69 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.52 4.41 0.00 2.05 2.05 0.00 3.43 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 64 E 7.84 4.25 0.00 1.84 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 2.14 1.47 0.00 65 F 7.92 5.05 0.00 3.83 3.48 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 0.00 66 P 0.00 4.67 0.00 2.23 2.25 0.00 3.88 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 2.03 2.03 0.00 67 D 8.14 4.31 0.00 2.30 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 68 Y 7.46 4.41 0.00 2.73 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 0.00 0.00 0.00 69 T 8.29 4.12 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 1.25 0.00 0.00 70 W 8.65 4.48 0.00 3.29 3.28 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 71 Q 8.92 4.41 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 72 V 8.51 4.22 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 -0.13 0.00 0.00 0.74 0.00 0.00 73 A 9.14 5.07 0.69 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 0.00 0.00 74 I 8.60 4.91 2.13 0.00 0.00 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 1.57 1.84 1.14 0.00 0.00 75 A 8.00 5.21 1.13 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 0.00 0.00 0.00 76 D 8.17 3.46 0.00 2.48 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 77 L 8.32 3.65 0.00 0.91 1.39 0.40 0.60 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 78 E 8.39 3.97 0.00 2.13 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 2.28 0.00 79 Q 7.93 3.99 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 80 S 8.36 4.07 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.82 3.90 0.00 2.08 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 2.39 2.39 0.00 82 A 7.69 4.01 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 83 I 8.46 3.78 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.86 0.00 0.00 84 G 8.38 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.90 4.32 0.00 2.74 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 86 R 7.95 4.00 0.00 1.95 2.13 0.00 3.47 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 87 F 7.98 4.34 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 88 G 8.83 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 89 V 7.26 3.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 90 F 7.67 4.50 0.00 3.33 3.13 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 0.00 91 R 7.84 4.38 0.00 1.60 1.54 0.00 3.24 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.39 0.00 92 F 8.46 4.11 0.00 3.22 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 93 P 0.00 4.68 0.00 1.99 2.17 0.00 3.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 94 A 8.13 4.36 1.25 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 0.00 0.00 0.00 0.00 0.00 95 T 8.16 4.54 4.17 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 1.08 0.00 0.00 96 L 8.75 4.84 0.00 1.60 1.16 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.89 4.50 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.12 0.00 0.00 98 F 8.81 5.48 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.93 4.69 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 1.00 0.00 0.00 100 G 8.80 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 0.00 0.00 0.00 101 G 8.58 3.95 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 0.00 0.00 0.00 102 N 8.34 5.18 0.00 2.90 2.79 0.00 0.00 6.90 7.07 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 0.00 103 Y 8.56 5.01 0.00 3.22 3.06 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 0.00 104 R 8.29 3.85 0.00 1.65 1.85 0.00 3.72 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 105 G 5.38 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 0.00 0.00 0.00 106 V 7.60 4.64 2.20 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 0.87 0.00 0.00 1.00 0.00 0.00 107 L 8.67 4.17 0.00 1.57 1.66 0.81 0.83 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 0.00 108 N 8.52 4.63 0.00 2.68 2.82 0.00 0.00 7.13 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 0.00 109 G 7.72 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 0.00 0.00 0.00 110 I 8.18 4.47 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.98 0.00 0.00 111 H 8.17 4.54 0.00 3.09 3.36 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.36 0.00 2.22 2.00 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 113 W 8.87 4.55 0.00 3.30 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 0.00 114 A 7.98 3.62 1.25 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 0.00 0.00 0.00 0.00 0.00 115 E 7.99 3.82 0.00 2.02 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 2.35 2.33 0.00 116 L 7.97 3.90 0.00 2.09 1.92 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.27 3.35 1.56 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.69 0.00 0.00 118 N 7.56 4.24 0.00 2.88 2.84 0.00 0.00 7.23 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 0.00 119 L 7.99 3.90 0.00 1.82 1.64 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 M 7.91 3.94 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 121 R 8.47 4.05 0.00 2.01 2.09 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 122 G 8.27 4.17 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 0.00 0.00 0.00 123 L 7.51 3.97 0.00 1.66 1.57 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.97 3.98 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 0.70 0.00 0.00 0.62 0.00 0.00 125 E 8.31 4.39 0.00 1.79 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 2.22 2.25 0.00 126 P 0.00 4.73 0.00 2.20 2.05 0.00 3.50 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 127 Q 8.72 4.05 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.32 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 128 Q 7.60 4.23 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 5.52 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 129 E 9.14 4.00 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 130 R 8.19 4.59 0.00 1.68 1.80 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 131 A 8.21 4.04 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 0.00 132 S 8.37 4.17 0.00 3.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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