NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8381 8.3549 109.7430 45.1381 0.0000 175.2514 2 S 3.9267 8.0080 114.2924 58.0095 62.6593 173.3837 3 S 4.2913 8.4714 120.2580 58.3821 64.0384 174.3109 4 G 4.0410 8.6104 109.3136 45.7280 0.0000 172.7600 5 S 4.8534 8.1591 113.9670 56.6127 65.2619 174.0529 6 S 4.6560 8.8002 118.6465 58.1616 65.2311 175.0376 7 G 3.9396 8.7010 113.3121 45.8961 0.0000 171.9677 8 P 4.5349 0.0000 0.0000 64.0228 32.1800 178.6164 9 R 3.9840 7.7030 119.6114 59.3817 29.9880 177.1535 10 K 3.9614 8.0213 113.8650 56.2117 32.7091 175.3452 11 A 3.6935 8.3315 119.7797 52.1594 18.2312 176.9578 12 S 4.1647 8.7698 119.3316 59.5013 62.8856 173.5291 13 R 4.4175 8.5849 121.9556 57.2086 32.4382 176.1963 14 K 4.5928 7.6997 114.9604 53.6088 32.8466 174.5643 15 P 4.5219 0.0000 0.0000 61.7910 31.9924 175.6663 16 P 4.3797 0.0000 0.0000 64.9273 31.9353 178.3975 17 R 3.7714 7.2388 119.1002 57.8145 29.8547 175.8097 18 E 4.3417 7.8575 120.4465 54.9786 29.9238 174.9248 19 E 4.5426 8.6055 123.9558 54.9750 33.4680 174.8202 20 S 4.8979 8.5879 120.2722 56.8755 66.1162 173.8638 21 S 4.8769 8.9487 118.0350 57.2266 68.0856 173.2397 22 A 5.1079 9.4822 124.8125 50.8303 20.7136 175.2528 23 T 4.9967 8.6660 116.9837 61.8822 69.5949 173.1828 24 C 5.1634 8.6837 126.2863 57.6227 35.4385 173.2077 25 V 3.6025 8.5484 123.9651 60.8700 32.9967 173.9705 26 L 5.0611 7.8959 130.4476 53.6468 44.0088 174.6241 27 E 5.5239 9.0027 126.3789 54.6652 33.7311 174.0076 28 Q 5.0305 9.1906 122.0584 53.6794 32.5437 172.3024 29 P 4.9072 0.0000 0.0000 63.1569 31.9415 175.5090 30 G 4.1053 8.7685 110.2461 43.7151 0.0000 172.9488 31 A 3.9808 8.7058 121.3952 55.6129 18.3396 179.0668 32 L 4.1168 8.2665 113.7661 56.3238 41.7982 178.8337 33 G 4.3089 7.1871 115.0739 44.6914 0.0000 171.8623 34 A 4.9327 7.3622 117.4081 50.3577 22.1931 174.7663 35 Q 4.9355 8.9131 121.4707 54.4202 32.0871 175.4017 36 I 4.6824 8.4493 115.1849 59.8518 40.5804 173.6369 37 L 4.0102 7.6192 123.9070 53.0137 44.0084 175.4914 38 L 4.7175 8.4204 125.9416 53.8331 45.4618 175.2670 39 V 4.6123 8.2982 119.3844 59.4484 34.4637 174.7151 40 Q 5.0675 7.5044 120.3080 53.5114 30.9412 175.3479 41 R 4.4684 8.0559 120.3866 54.7747 31.3806 175.9756 42 P 4.2621 0.0000 0.0000 64.8795 32.1913 176.4954 43 N 4.3162 8.0274 116.9626 53.5052 39.1535 173.5490 44 S 4.6289 8.5250 113.8990 57.3445 66.8091 172.9000 45 G 3.9753 8.9015 107.7091 43.6643 0.0000 173.0445 46 L 4.1797 8.6937 122.9787 56.8419 42.0233 176.5448 47 L 3.7006 8.3653 120.7665 55.3592 39.5380 173.9691 48 A 4.6544 7.7043 120.1683 51.3433 21.3992 177.1040 49 G 3.9667 7.9993 106.0203 46.8251 0.0000 173.2379 50 L 4.7694 7.3637 116.9600 52.2851 45.8867 176.2027 51 W 5.0794 8.1500 120.1729 55.6381 31.0724 175.6312 52 E 4.5508 9.0734 120.0590 55.1679 32.5673 175.3228 53 F 4.7667 7.9937 120.0621 57.3158 40.0071 173.4769 54 P 4.6464 0.0000 0.0000 63.2077 32.5215 175.1869 55 S 5.2582 8.5590 115.3685 57.4819 66.8380 172.4366 56 V 4.6794 8.7604 112.5822 59.3356 36.2172 175.1565 57 T 4.2557 8.5982 116.2616 62.3709 67.8563 173.0057 58 W 4.5288 8.7599 135.0000 57.1022 31.6282 175.1970 59 E 4.2510 7.5113 125.2233 53.3941 31.9727 174.5750 60 P 3.5671 0.0000 0.0000 64.8840 32.0097 176.7331 61 S 4.3980 7.4440 113.7462 56.6920 62.2072 174.1829 62 E 4.0094 8.7410 127.5541 58.5667 29.2216 178.4593 63 Q 4.0683 7.7501 118.8457 58.8061 29.6915 177.0299 64 L 3.9463 7.7835 119.4517 57.8728 41.5753 179.1868 65 Q 3.7577 7.9044 119.2421 59.2465 29.0604 178.4534 66 R 3.5769 7.2661 119.0898 59.5402 30.1344 178.5624 67 K 3.7160 8.4252 117.9305 60.0976 31.8939 178.9583 68 A 3.9607 8.2775 120.3649 55.1022 18.5271 179.1090 69 L 3.8420 8.3297 119.2031 58.5462 41.8727 179.5107 70 L 3.9955 8.0187 118.4614 58.0252 41.4436 179.2321 71 Q 3.8903 7.4832 116.3615 59.0621 28.9750 179.1985 72 E 4.0078 7.9852 119.6884 59.3849 29.7245 178.4586 73 L 4.2753 7.5143 118.1857 58.4321 41.6651 179.5660 74 Q 4.5110 8.3081 119.0907 58.6453 28.4457 179.2546 75 R 3.7656 7.6346 117.6844 59.6428 30.0343 178.0031 76 W 4.6180 8.0031 117.7951 59.4974 29.2845 178.3399 77 A 4.5620 8.2156 123.6258 51.0612 18.7651 177.5563 78 G 4.1246 8.4294 107.2727 43.7854 0.0000 172.3821 79 P 4.5167 0.0000 0.0000 62.6267 31.8936 176.4661 80 L 4.7504 8.1637 123.3687 51.7607 44.3728 175.2317 81 P 4.5077 0.0000 0.0000 62.5657 32.7486 174.7522 82 A 4.5239 8.3270 116.9388 54.3414 20.5865 178.7213 83 T 3.9928 7.9652 110.4072 66.9331 68.6897 175.8705 84 H 4.3049 8.2329 117.2977 58.0612 29.0010 175.3585 85 L 4.5068 7.5644 122.3012 55.1033 42.7998 176.7069 86 R 4.8281 8.5806 123.6949 55.0906 35.1943 173.7324 87 H 4.3892 9.1637 124.2606 56.1742 30.6300 174.6828 88 L 4.2691 7.9245 125.8290 53.3581 42.2648 177.8418 89 G 3.8682 8.1923 114.9126 44.8779 0.0000 169.5548 90 E 4.9446 8.2307 115.1773 55.1823 33.3529 175.0339 91 V 4.3035 9.2451 119.3153 61.5048 34.5385 174.2102 92 V 4.8637 8.5240 128.5191 60.6461 33.5571 173.8140 93 H 4.7796 8.9242 128.8499 54.8068 31.7780 173.4697 94 T 4.5906 8.0055 116.2978 60.4155 69.7819 174.7152 95 F 4.4998 8.6816 126.6566 56.0921 40.5929 175.4675 96 S 4.3136 8.8487 116.7481 62.2175 62.6149 176.2199 97 H 5.0859 8.0830 114.1816 55.1507 29.2459 173.0435 98 I 4.6282 7.7202 118.5058 60.4642 40.9795 174.0406 99 K 4.9083 8.7398 122.6840 54.9766 34.6998 174.8389 100 L 5.0829 8.8401 126.9942 53.4260 44.9478 176.0537 101 T 4.6430 8.6133 118.7077 62.2063 71.3970 172.0083 102 Y 5.0102 9.2956 125.3065 56.4638 40.3864 175.0914 103 Q 4.8296 9.0123 123.6775 54.2380 30.6159 175.2885 104 V 3.9108 7.9305 126.3851 63.1162 32.8977 174.5130 105 Y 5.0331 8.7910 124.9556 56.2034 41.9230 174.3643 106 G 4.5501 8.8900 110.2180 44.5125 0.0000 172.3932 107 L 4.9091 8.6320 125.9807 53.9512 45.2337 174.1439 108 A 5.2125 8.6478 127.2351 50.2044 22.7219 175.4309 109 L 4.3353 8.3548 120.3188 53.5120 41.4591 176.5813 110 E 4.0811 9.2066 125.2823 58.7976 29.5376 179.8318 111 G 4.1117 7.6263 103.2572 45.9948 0.0000 172.8802 112 Q 4.3491 7.9942 120.0236 54.5306 30.0089 175.6901 113 T 4.0579 8.0975 109.2236 60.9310 69.3942 173.2152 114 P 4.5078 0.0000 0.0000 62.6116 32.6511 175.3888 115 V 4.0813 8.0908 115.5004 62.1363 32.8121 176.4466 116 T 3.3746 7.8014 107.5132 61.5872 67.7428 171.7038 117 T 4.6988 7.0782 115.7388 63.5613 72.9034 173.9086 118 V 4.4142 7.8937 120.4701 60.3702 33.7183 170.7390 119 P 4.6532 0.0000 0.0000 61.7115 32.0267 174.9661 120 P 4.5704 0.0000 0.0000 64.1286 31.2853 176.7725 121 G 4.3182 8.2878 105.5226 46.2298 0.0000 172.8676 122 A 5.1224 8.4066 122.0244 49.8425 22.2201 175.9429 123 R 4.7444 9.1783 117.7849 54.1924 33.0327 174.7692 124 W 4.9938 9.0491 122.2368 55.5207 29.9733 175.1803 125 L 5.0798 8.4009 125.2292 53.7988 43.9524 176.1703 126 T 4.6585 8.3666 110.2152 60.7281 71.9113 175.6344 127 Q 4.1037 8.5523 119.0190 59.2206 28.2843 178.6270 128 E 4.2533 8.2269 117.8171 59.0343 29.6200 178.7113 129 E 3.8048 7.8359 118.8980 58.8308 29.8533 178.4879 130 F 4.1560 8.2044 120.8257 61.7722 39.2721 176.3336 131 H 3.5296 7.4060 113.1676 59.5065 28.6943 177.4269 132 T 3.8089 7.2992 109.9975 63.5350 68.8222 174.2739 133 A 3.9719 7.3578 123.7807 51.3011 19.1529 177.6370 134 A 4.0177 8.5572 122.8259 52.2922 18.7072 176.2883 135 V 4.6648 7.9835 119.9807 60.2799 34.7937 175.5392 136 S 4.2305 8.6611 121.5123 58.5016 63.8402 174.8934 137 T 3.7218 8.5457 120.5684 67.0780 67.9983 175.9088 138 A 3.7861 7.6268 121.0351 55.6438 18.6833 179.0914 139 M 4.0761 7.4662 115.1229 58.6345 31.9303 179.1654 140 K 4.1691 8.1987 118.4672 59.5454 31.8057 179.1710 141 K 4.3132 8.2112 118.6857 58.9215 32.1390 179.3526 142 V 3.7195 8.2496 119.1635 66.0962 31.3087 177.3822 143 F 4.2711 8.6000 120.5947 60.9007 39.1194 176.7003 144 R 4.0480 7.9284 118.0262 58.9182 29.1907 178.5934 145 V 3.6871 7.6091 118.1659 65.9722 31.3758 177.4822 146 Y 4.0847 7.8536 118.1961 60.6339 38.9672 177.5921 147 Q 3.5413 8.0545 119.5214 58.6440 28.4586 177.9228 148 G 3.5055 7.6164 103.3161 50.3229 0.0000 174.4509 149 Q 4.1295 7.6882 121.7614 53.0777 27.6844 174.2094 150 S 4.2202 7.6299 110.3081 57.4195 64.9407 174.3509 151 G 4.2326 8.2047 115.8136 43.5248 0.0000 170.7720 152 P 4.2989 0.0000 0.0000 64.8943 31.7753 176.8588 153 S 4.0352 7.9405 112.5402 57.4869 62.8501 173.5425 154 S 4.2255 8.3623 119.7498 59.0074 62.9690 174.8060 155 G 3.7114 8.2166 107.8394 46.2014 0.0000 173.1133 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 G 8.35 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 0.00 0.00 0.00 2 S 8.01 3.93 0.00 4.08 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 3 S 8.47 4.29 0.00 3.83 3.74 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 4 G 8.61 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 5 S 8.16 4.85 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.80 4.66 0.00 3.94 3.88 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 0.00 7 G 8.70 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.53 0.00 2.17 2.16 0.00 3.78 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 1.97 2.08 0.00 9 R 7.70 3.98 0.00 1.80 2.05 0.00 3.36 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 10 K 8.02 3.96 0.00 1.86 1.88 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.46 7.81 11 A 8.33 3.69 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 12 S 8.77 4.16 0.00 3.86 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 13 R 8.58 4.42 0.00 1.74 1.90 0.00 3.34 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 14 K 7.70 4.59 0.00 1.72 1.70 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.34 7.81 15 P 0.00 4.52 0.00 2.19 2.17 0.00 3.68 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 2.32 1.94 0.00 16 P 0.00 4.38 0.00 2.09 2.20 0.00 3.38 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 17 R 7.24 3.77 0.00 1.92 1.97 0.00 3.09 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 18 E 7.86 4.34 0.00 1.88 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 0.00 2.17 2.23 0.00 19 E 8.61 4.54 0.00 1.87 1.77 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 2.17 2.42 0.00 20 S 8.59 4.90 0.00 3.50 3.25 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 21 S 8.95 4.88 0.00 3.28 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 22 A 9.48 5.11 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 23 T 8.67 5.00 4.53 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 1.54 0.00 0.00 24 C 8.68 5.16 0.00 3.05 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 25 V 8.55 3.60 0.67 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 -0.32 0.00 0.00 0.13 0.00 0.00 26 L 7.90 5.06 0.00 1.73 1.29 1.11 0.92 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 27 E 9.00 5.52 0.00 2.13 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 2.31 2.36 0.00 28 Q 9.19 5.03 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.75 0.00 0.00 0.00 0.00 0.00 2.05 2.35 0.00 29 P 0.00 4.91 0.00 2.10 2.11 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 30 G 8.77 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 31 A 8.71 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.27 4.12 0.00 1.67 1.78 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.19 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.36 4.93 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 35 Q 8.91 4.94 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 36 I 8.45 4.68 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.89 0.00 0.00 37 L 7.62 4.01 0.00 0.27 0.72 0.14 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.42 4.72 0.00 1.84 1.50 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.30 4.61 0.68 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 -0.80 0.00 0.00 0.61 0.00 0.00 40 Q 7.50 5.07 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.44 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 41 R 8.06 4.47 0.00 1.75 2.04 0.00 3.08 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 P 0.00 4.26 0.00 2.16 2.18 0.00 3.81 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 1.99 2.00 0.00 43 N 8.03 4.32 0.00 2.81 2.80 0.00 0.00 6.64 7.56 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 44 S 8.52 4.63 0.00 3.89 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 45 G 8.90 3.98 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 0.00 0.00 0.00 46 L 8.69 4.18 0.00 1.63 1.62 0.91 0.99 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 47 L 8.37 3.70 0.00 1.68 1.68 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.70 4.65 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 49 G 8.00 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 0.00 0.00 0.00 50 L 7.36 4.77 0.00 1.47 1.50 0.96 0.86 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 51 W 8.15 5.08 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.07 4.55 0.00 1.81 1.86 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 2.02 2.15 0.00 53 F 7.99 4.77 0.00 2.95 2.97 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 54 P 0.00 4.65 0.00 2.27 1.93 0.00 3.68 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 2.07 1.82 0.00 55 S 8.56 5.26 0.00 4.12 4.02 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 56 V 8.76 4.68 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 0.73 0.00 0.00 0.99 0.00 0.00 57 T 8.60 4.26 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 1.23 0.00 0.00 58 W 8.76 4.53 0.00 3.39 3.11 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 59 E 7.51 4.25 0.00 1.65 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 2.04 2.21 0.00 60 P 0.00 3.57 0.00 2.07 2.09 0.00 3.41 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 61 S 7.44 4.40 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.74 4.01 0.00 2.06 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 0.00 2.42 2.40 0.00 63 Q 7.75 4.07 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 64 L 7.78 3.95 0.00 1.76 1.77 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.90 3.76 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.67 0.00 66 R 7.27 3.58 0.00 2.09 1.83 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.64 0.00 67 K 8.43 3.72 0.00 1.91 1.77 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.62 7.81 68 A 8.28 3.96 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 69 L 8.33 3.84 0.00 1.83 1.64 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.02 4.00 0.00 1.88 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.48 3.89 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 72 E 7.99 4.01 0.00 2.08 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 0.00 2.70 2.76 0.00 73 L 7.51 4.28 0.00 2.13 1.83 0.92 1.02 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 74 Q 8.31 4.51 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 75 R 7.63 3.77 0.00 1.29 1.49 0.00 3.02 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.87 0.00 76 W 8.00 4.62 0.00 3.43 3.15 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 77 A 8.22 4.56 1.59 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 0.00 0.00 78 G 8.43 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.52 0.00 2.20 2.13 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 80 L 8.16 4.75 0.00 1.63 1.59 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.51 0.00 2.07 1.91 0.00 3.72 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 1.99 1.92 0.00 82 A 8.33 4.52 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 83 T 7.97 3.99 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 84 H 8.23 4.30 0.00 3.13 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.56 4.51 0.00 1.66 1.76 0.95 0.70 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 86 R 8.58 4.83 0.00 1.84 1.82 0.00 3.20 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 87 H 9.16 4.39 0.00 3.09 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.92 4.27 0.00 1.47 1.50 1.00 1.30 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 89 G 8.19 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 0.00 0.00 0.00 90 E 8.23 4.94 0.00 1.99 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 2.21 2.36 0.00 91 V 9.25 4.30 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 1.12 0.00 0.00 1.00 0.00 0.00 92 V 8.52 4.86 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 1.12 0.00 0.00 1.03 0.00 0.00 93 H 8.92 4.78 0.00 3.24 3.08 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.01 4.59 4.19 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 1.20 0.00 0.00 95 F 8.68 4.50 0.00 3.22 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.85 4.31 0.00 3.98 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 97 H 8.08 5.09 0.00 3.23 3.32 0.00 5.49 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.72 4.63 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.41 0.92 0.00 0.00 99 K 8.74 4.91 0.00 1.78 1.69 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.53 7.81 100 L 8.84 5.08 0.00 2.18 1.92 1.02 0.38 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 0.00 101 T 8.61 4.64 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 1.15 0.00 0.00 102 Y 9.30 5.01 0.00 3.20 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 0.00 103 Q 9.01 4.83 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.08 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 104 V 7.93 3.91 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 1.05 0.00 0.00 0.95 0.00 0.00 105 Y 8.79 5.03 0.00 3.17 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 0.00 106 G 8.89 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.63 4.91 0.00 1.68 1.57 0.97 0.99 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 0.00 108 A 8.65 5.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.35 4.34 0.00 1.63 1.70 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 E 9.21 4.08 0.00 1.92 2.04 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 2.29 2.41 0.00 111 G 7.63 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 0.00 112 Q 7.99 4.35 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 113 T 8.10 4.06 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 1.20 0.00 0.00 114 P 0.00 4.51 0.00 2.07 2.04 0.00 3.70 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 1.93 1.89 0.00 115 V 8.09 4.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.12 0.00 0.00 116 T 7.80 3.37 4.19 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 1.13 0.00 0.00 117 T 7.08 4.70 4.34 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 1.28 0.00 0.00 118 V 7.89 4.41 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.27 0.00 0.00 119 P 0.00 4.65 0.00 2.43 2.34 0.00 4.04 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.18 0.00 120 P 0.00 4.57 0.00 2.28 2.28 0.00 3.83 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 2.07 2.02 0.00 121 G 8.29 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.41 5.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 9.18 4.74 0.00 1.81 2.10 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 124 W 9.05 4.99 0.00 3.20 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 0.00 125 L 8.40 5.08 0.00 1.69 1.71 1.10 0.90 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 0.00 126 T 8.37 4.66 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 127 Q 8.55 4.10 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.03 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 128 E 8.23 4.25 0.00 2.23 2.27 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 2.41 2.42 0.00 129 E 7.84 3.80 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 130 F 8.20 4.16 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.41 3.53 0.00 3.19 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.30 3.81 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 1.22 0.00 0.00 133 A 7.36 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.56 4.02 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 0.00 135 V 7.98 4.66 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 0.88 0.00 0.00 0.21 0.00 0.00 136 S 8.66 4.23 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.55 3.72 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 1.13 0.00 0.00 138 A 7.63 3.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 M 7.47 4.08 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 140 K 8.20 4.17 0.00 1.97 1.96 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.64 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.70 7.81 141 K 8.21 4.31 0.00 2.07 1.89 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.56 7.81 142 V 8.25 3.72 2.41 0.00 0.00 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 1.09 0.00 0.00 143 F 8.60 4.27 0.00 3.27 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 0.00 144 R 7.93 4.05 0.00 2.11 2.30 0.00 3.21 0.00 0.00 3.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.57 0.00 145 V 7.61 3.69 2.28 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 1.10 0.00 0.00 1.00 0.00 0.00 146 Y 7.85 4.08 0.00 2.84 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 0.00 147 Q 8.05 3.54 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 1.59 1.30 0.00 148 G 7.62 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.69 4.13 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 150 S 7.63 4.22 0.00 3.23 3.44 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 0.00 151 G 8.20 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 0.00 152 P 0.00 4.30 0.00 2.19 2.19 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 153 S 7.94 4.04 0.00 3.83 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 0.00 154 S 8.36 4.23 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.22 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