NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7511 8.3344 116.8084 58.9270 64.1221 173.3468 2 M 4.4679 9.6462 125.4166 52.0549 33.0238 168.2296 3 V 4.5199 7.9130 124.4316 58.7092 35.2196 176.2340 4 S 4.2341 8.4460 119.2689 57.5205 64.9635 173.3340 5 P 4.1138 0.0000 0.0000 65.8892 30.9773 178.4356 6 E 3.7790 7.9449 117.4267 59.3590 29.5127 178.3176 7 E 3.8091 7.3331 117.5348 58.9528 29.8414 178.4975 8 A 2.5800 7.7105 121.1253 54.7968 18.4407 180.1099 9 V 3.9437 7.8703 112.4821 63.8585 31.0405 178.9223 10 K 4.1949 8.0555 118.1568 58.8309 31.6864 179.1540 11 W 4.8206 8.5134 119.6141 58.9564 28.7698 177.6293 12 G 4.2486 8.1142 104.3279 44.7152 0.0000 173.6768 13 E 4.7204 7.9265 115.5903 55.4587 31.1496 177.0512 14 S 4.3965 8.1377 116.8614 56.8569 66.3630 174.4834 15 F 3.4820 8.5590 130.3573 60.9531 38.9118 176.2890 16 D 4.1707 7.9668 117.3066 56.9189 41.0582 178.0406 17 K 3.8477 7.7174 119.7505 59.2148 32.3246 178.1687 18 L 2.7981 7.4581 120.4778 58.0090 41.7244 178.8928 19 L 3.5950 7.1871 118.8573 57.8513 41.9733 178.5966 20 S 4.2348 7.7963 114.1802 59.5050 63.3312 174.0137 21 H 4.4300 7.4828 122.9142 55.3247 30.5689 175.9383 22 R 3.9066 8.6356 126.1122 59.7255 29.9536 178.8300 23 D 4.6749 8.2071 117.9437 56.7081 40.9085 178.7970 24 G 2.5769 7.4483 107.3230 46.1562 0.0000 175.4548 25 L 3.9799 8.1332 123.3100 57.8108 42.0096 178.8255 26 E 3.9720 8.0995 118.6256 59.0959 29.5278 178.6353 27 A 4.2577 8.0495 120.9907 55.2233 18.5583 179.4575 28 F 3.6280 8.6493 119.6956 61.4816 39.4459 177.4340 29 T 3.8613 8.4078 113.1663 64.8583 66.9897 176.5098 30 R 3.8854 8.0046 120.2403 59.2648 29.9368 178.7529 31 F 4.0941 7.8978 118.8034 61.0354 39.5411 176.4828 32 L 3.8798 7.7838 119.9842 57.4064 41.8140 179.0025 33 K 3.7326 8.1566 119.1457 59.4577 31.7934 179.1592 34 T 3.5023 7.7114 113.1031 64.1278 67.3059 174.2257 35 E 4.4392 7.6575 115.9999 55.0664 30.2739 175.5065 36 F 3.7190 7.4864 118.3160 58.5988 36.0283 175.7455 37 S 5.4229 8.9383 115.1457 57.2742 65.2987 176.4346 38 E 4.0824 8.3560 121.1091 58.2913 29.5372 176.9754 39 E 4.2769 7.9954 117.5435 57.3904 30.0011 178.0267 40 N 4.1522 7.7860 119.0929 56.4680 38.9436 177.1136 41 I 2.8178 7.4053 119.4423 63.4793 38.1057 176.8187 42 E 4.0677 7.8673 117.4862 56.8725 29.6010 178.2928 43 F 3.0775 7.3071 122.2807 60.7620 39.5165 176.8874 44 W 4.2908 7.5119 115.3548 58.9680 28.3122 178.1539 45 I 3.9882 7.2691 120.6937 64.2391 36.4347 178.0821 46 A 3.9990 7.9842 121.8579 55.2628 18.1318 179.4745 47 C 4.3307 7.7023 115.0035 63.2694 28.1691 176.2942 48 E 4.0855 8.9109 120.1462 58.9396 28.7971 178.8400 49 D 4.3750 8.0466 118.0026 57.1867 41.4821 177.6728 50 F 4.5123 8.4828 121.4338 61.0792 39.2196 177.0555 51 K 3.8129 7.9165 120.1352 58.5778 31.9436 178.4182 52 K 4.0948 7.5217 117.1211 57.3555 32.2692 177.2306 53 S 4.5237 7.3808 114.2942 57.4839 63.0751 173.6200 54 K 4.4169 8.5123 121.6800 55.8830 33.7197 176.5656 55 G 3.9485 7.8023 108.2917 43.2124 0.0000 172.7811 56 P 4.3986 0.0000 0.0000 65.3936 31.2585 178.7292 57 Q 4.0063 8.0533 116.2405 59.3525 28.6416 178.2461 58 Q 4.0570 8.0321 120.9048 58.5751 29.1099 177.9003 59 I 4.2007 7.8605 121.2766 64.8360 37.1998 177.8596 60 H 4.0621 8.1125 116.9059 59.1321 28.4694 177.5767 61 L 4.0038 7.7855 120.5965 57.7576 41.5082 179.5888 62 K 3.7929 8.7456 118.2209 59.3554 32.0756 179.3685 63 A 3.8333 7.7783 121.1786 55.2453 18.2916 180.0082 64 K 4.3102 8.1807 116.5635 59.1584 32.0174 179.6504 65 A 3.9740 8.2583 121.6736 55.3830 18.3986 179.8174 66 I 3.7816 7.8456 118.3691 64.5087 37.0145 177.7175 67 Y 4.4180 8.8583 120.8099 61.3151 38.4802 178.3297 68 E 3.8794 8.6325 118.7297 58.4526 30.0176 178.5741 69 K 4.0030 7.8460 119.0341 57.3482 32.2998 177.0985 70 F 4.7515 8.1042 115.3427 59.2055 41.2086 177.3649 71 I 3.9256 8.1076 119.1558 64.1101 37.3204 177.0220 72 Q 4.0740 7.8512 119.3717 55.9889 29.2868 177.3226 73 T 3.9557 8.4065 117.9331 66.5965 69.0043 175.9664 74 D 4.5646 7.7253 121.7183 52.7673 38.2380 174.4906 75 A 4.8074 7.5083 125.3012 48.8987 22.7442 175.7290 76 P 4.3506 0.0000 0.0000 64.6911 31.6525 176.5975 77 K 4.1964 7.0278 114.6979 57.2410 34.2363 171.7976 78 E 4.3190 7.9582 125.5068 55.5988 31.3976 173.9139 79 V 4.3277 8.3118 125.4457 61.6623 33.1316 174.4370 80 N 4.8128 8.2583 120.0430 53.4483 38.9998 175.5687 81 L 4.0555 7.7126 119.5239 54.3316 43.1206 176.1987 82 D 4.4196 8.8301 123.3218 55.0753 42.0166 177.2182 83 F 4.1404 9.1085 128.4183 61.9105 39.4981 176.5990 84 H 4.0833 8.4223 117.2757 59.3057 29.7414 177.2258 85 T 3.8164 8.7471 118.2901 66.5836 68.3871 176.8170 86 K 4.0763 8.2826 120.8494 59.7383 32.5808 178.5733 87 E 3.7094 8.0031 122.1513 58.6117 29.5929 179.1108 88 V 3.5481 7.5106 117.9368 65.7853 31.4966 178.0491 89 I 3.6172 7.8071 119.9025 64.6526 37.1781 178.4828 90 T 4.3390 8.5416 112.1122 64.2566 68.1732 175.6881 91 N 4.6285 7.9174 117.5982 54.2120 39.0662 175.7359 92 S 4.5835 7.5084 112.9571 57.7274 63.0072 175.1949 93 I 3.5683 7.4432 120.2054 63.5213 37.7884 177.0582 94 T 3.8986 7.7644 113.9479 64.3049 67.6298 173.8624 95 Q 4.5562 7.4053 119.4600 53.2170 28.7258 173.2113 96 P 4.3516 0.0000 0.0000 62.4633 32.6626 176.4384 97 T 4.6485 8.6781 110.2402 59.0590 71.7011 173.5965 98 L 3.6598 8.3297 123.0043 58.3412 42.0338 176.0665 99 H 5.1841 7.5303 113.1785 54.1414 28.7483 173.7170 100 S 4.0566 8.3797 122.3376 61.2388 63.2519 175.0245 101 F 4.8734 7.8803 118.7923 57.2253 38.9354 176.7627 102 D 4.2326 8.3980 124.3011 57.0256 38.8343 179.0023 103 A 3.7985 8.0082 121.2968 54.5076 18.4354 179.2507 104 A 4.1982 8.0637 118.8367 54.9251 18.5764 179.3824 105 Q 4.3477 8.7650 119.1090 59.8245 29.0376 178.8449 106 S 4.1266 7.7305 115.7930 61.3585 62.7393 176.8857 107 R 3.9856 7.9449 120.5536 59.4667 29.8193 179.3668 108 V 3.6312 8.3755 118.3516 65.7521 31.4560 177.3583 109 Y 4.5018 8.4349 119.9168 61.0167 38.7097 178.3249 110 Q 3.9749 8.7802 118.7601 58.9095 28.7350 178.1027 111 L 3.9645 8.3141 121.4397 58.3243 41.7287 179.5408 112 M 4.2306 8.3912 118.4273 58.4552 31.9843 177.9869 113 E 2.7731 7.6411 120.1689 58.9056 29.4780 178.8401 114 Q 4.0859 8.1764 118.6056 58.6878 28.8598 177.5671 115 D 4.5193 7.9670 119.0916 56.6947 42.0071 177.6745 116 S 4.8314 7.7594 114.0834 60.3653 63.9348 175.8247 117 Y 4.5874 8.4625 123.1244 60.7063 38.1799 178.0606 118 T 3.5648 7.2830 108.9649 64.9334 69.0489 176.5200 119 R 4.0239 7.9080 119.1455 57.9618 29.6284 178.2137 120 F 2.9257 8.2373 122.2265 60.8444 39.0898 177.0435 121 L 3.4375 7.6906 117.6912 56.5979 41.3575 177.8011 122 K 4.3509 7.0856 117.7387 56.0240 32.6043 176.8658 123 S 4.5182 7.6117 114.0566 58.3206 65.2802 174.8310 124 D 4.6568 8.6183 122.9377 56.0372 39.2317 178.6382 125 I 3.7349 7.6968 120.4434 64.3601 38.1077 176.9460 126 Y 4.0866 7.6049 120.0145 60.4014 38.5425 177.3660 127 L 3.8844 8.3913 119.9420 56.9851 41.4225 178.7379 128 D 4.3176 7.6314 117.8273 57.0141 41.2545 177.8810 129 L 4.0379 7.3529 118.3698 57.7383 41.5803 179.0577 130 M 4.0012 7.4788 118.2239 55.8155 32.7101 174.4740 131 E 3.5717 8.0249 121.7658 56.1298 25.9586 172.9321 132 G 4.1964 7.3817 111.8118 44.6349 0.0000 170.7083 133 R 4.5479 7.2324 116.2338 53.5501 32.4514 173.5190 134 P 4.3894 0.0000 0.0000 62.9546 31.3651 176.2884 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 S 8.33 4.75 0.00 3.98 4.05 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 2 M 9.65 4.47 0.00 1.96 1.97 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 2.53 2.58 0.00 3 V 7.91 4.52 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 0.95 0.00 0.00 0.28 0.00 0.00 4 S 8.45 4.23 0.00 4.01 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 5 P 0.00 4.11 0.00 2.08 2.05 0.00 3.52 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 6 E 7.94 3.78 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 7 E 7.33 3.81 0.00 1.72 1.96 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 2.31 2.09 0.00 8 A 7.71 2.58 0.82 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 0.00 0.00 9 V 7.87 3.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 10 K 8.06 4.19 0.00 1.94 1.95 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.62 7.81 11 W 8.51 4.82 0.00 3.84 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 12 G 8.11 4.25 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 0.00 13 E 7.93 4.72 0.00 2.16 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 2.40 2.32 0.00 14 S 8.14 4.40 0.00 3.89 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 15 F 8.56 3.48 0.00 1.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.97 4.17 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 3.85 0.00 1.91 2.06 0.00 1.92 0.00 0.00 2.12 0.00 0.00 3.03 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.75 1.61 7.81 18 L 7.46 2.80 0.00 1.69 1.34 0.51 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.19 3.59 0.00 0.68 1.29 0.54 0.58 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 20 S 7.80 4.23 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.48 4.43 0.00 3.29 2.93 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.64 3.91 0.00 1.89 1.97 0.00 3.32 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 23 D 8.21 4.67 0.00 3.25 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 24 G 7.45 2.58 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 25 L 8.13 3.98 0.00 1.81 1.81 1.00 0.96 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 26 E 8.10 3.97 0.00 2.37 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 0.00 2.37 2.44 0.00 27 A 8.05 4.26 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 0.00 0.00 0.00 0.00 0.00 28 F 8.65 3.63 0.00 2.56 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 29 T 8.41 3.86 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 1.28 0.00 0.00 30 R 8.00 3.89 0.00 2.27 2.04 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 31 F 7.90 4.09 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.78 3.88 0.00 1.60 1.62 0.81 0.68 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 33 K 8.16 3.73 0.00 1.82 1.61 0.00 1.68 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.73 1.54 7.81 34 T 7.71 3.50 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 1.03 0.00 0.00 35 E 7.66 4.44 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 36 F 7.49 3.72 0.00 3.15 3.10 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 37 S 8.94 5.42 0.00 3.75 3.75 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 38 E 8.36 4.08 0.00 2.13 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 2.36 2.36 0.00 39 E 8.00 4.28 0.00 2.59 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 0.00 2.55 2.61 0.00 40 N 7.79 4.15 0.00 2.68 2.82 0.00 0.00 6.59 7.22 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 41 I 7.41 2.82 1.81 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.33 0.83 0.00 0.00 42 E 7.87 4.07 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 43 F 7.31 3.08 0.00 2.69 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 44 W 7.51 4.29 0.00 3.59 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 45 I 7.27 3.99 1.72 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 1.60 0.49 0.91 0.00 0.00 46 A 7.98 4.00 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 47 C 7.70 4.33 0.00 3.28 3.22 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 48 E 8.91 4.09 0.00 2.03 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 0.00 2.73 2.52 0.00 49 D 8.05 4.37 0.00 2.79 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 50 F 8.48 4.51 0.00 3.14 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 51 K 7.92 3.81 0.00 1.67 1.89 0.00 1.87 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 0.99 7.81 52 K 7.52 4.09 0.00 1.95 1.85 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.73 7.81 53 S 7.38 4.52 0.00 3.91 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 54 K 8.51 4.42 0.00 1.82 1.82 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.45 7.81 55 G 7.80 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 56 P 0.00 4.40 0.00 2.20 2.16 0.00 3.62 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 57 Q 8.05 4.01 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 58 Q 8.03 4.06 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 59 I 7.86 4.20 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.78 1.26 0.00 0.00 60 H 8.11 4.06 0.00 3.31 3.36 0.00 5.62 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 61 L 7.79 4.00 0.00 1.91 1.69 1.10 1.42 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 62 K 8.75 3.79 0.00 1.73 1.63 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.73 7.81 63 A 7.78 3.83 1.11 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 64 K 8.18 4.31 0.00 1.97 1.94 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.36 7.81 65 A 8.26 3.97 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 66 I 7.85 3.78 1.47 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 0.10 0.00 0.00 67 Y 8.86 4.42 0.00 3.34 3.22 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 68 E 8.63 3.88 0.00 1.97 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 2.42 2.71 0.00 69 K 7.85 4.00 0.00 1.61 1.43 0.00 1.28 0.00 0.00 1.08 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.97 7.81 70 F 8.10 4.75 0.00 3.42 3.26 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 71 I 8.11 3.93 2.08 0.00 0.00 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 1.81 1.52 1.21 0.00 0.00 72 Q 7.85 4.07 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 1.93 2.34 0.00 73 T 8.41 3.96 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 1.29 0.00 0.00 74 D 7.73 4.56 0.00 2.60 2.57 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 75 A 7.51 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 76 P 0.00 4.35 0.00 2.08 2.11 0.00 3.70 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 1.76 1.85 0.00 77 K 7.03 4.20 0.00 1.78 1.92 0.00 2.00 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.15 1.26 7.81 78 E 7.96 4.32 0.00 2.26 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 0.00 2.23 2.36 0.00 79 V 8.31 4.33 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 0.41 0.00 0.00 0.99 0.00 0.00 80 N 8.26 4.81 0.00 2.74 2.82 0.00 0.00 6.92 7.86 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 81 L 7.71 4.06 0.00 1.47 1.58 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.83 4.42 0.00 2.89 2.64 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 83 F 9.11 4.14 0.00 3.19 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 84 H 8.42 4.08 0.00 3.37 3.51 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.75 3.82 4.46 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 1.32 0.00 0.00 86 K 8.28 4.08 0.00 2.02 2.14 0.00 1.41 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.24 7.81 87 E 8.00 3.71 0.00 1.49 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 2.17 2.01 0.00 88 V 7.51 3.55 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 1.01 0.00 0.00 0.83 0.00 0.00 89 I 7.81 3.62 2.20 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 1.75 0.79 1.08 0.00 0.00 90 T 8.54 4.34 4.38 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 1.49 0.00 0.00 91 N 7.92 4.63 0.00 2.71 2.88 0.00 0.00 6.94 6.94 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 92 S 7.51 4.58 0.00 3.77 3.75 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 93 I 7.44 3.57 1.28 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.40 0.26 0.00 0.00 94 T 7.76 3.90 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 95 Q 7.41 4.56 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 96 P 0.00 4.35 0.00 2.19 1.90 0.00 3.37 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 1.70 1.68 0.00 97 T 8.68 4.65 4.20 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 1.17 0.00 0.00 98 L 8.33 3.66 0.00 1.59 1.52 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 99 H 7.53 5.18 0.00 3.39 3.21 0.00 5.53 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.38 4.06 0.00 3.25 3.63 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 0.00 0.00 0.00 0.00 101 F 7.88 4.87 0.00 3.13 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 0.00 102 D 8.40 4.23 0.00 2.61 2.68 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 0.00 103 A 8.01 3.80 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 0.00 104 A 8.06 4.20 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 0.00 0.00 0.00 0.00 0.00 105 Q 8.76 4.35 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.07 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 106 S 7.73 4.13 0.00 3.98 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 0.00 107 R 7.94 3.99 0.00 2.09 2.03 0.00 3.35 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 108 V 8.38 3.63 2.42 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 1.06 0.00 0.00 0.27 0.00 0.00 109 Y 8.43 4.50 0.00 3.09 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 0.00 110 Q 8.78 3.97 0.00 2.40 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.80 0.00 111 L 8.31 3.96 0.00 1.96 1.78 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 M 8.39 4.23 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.74 0.00 113 E 7.64 2.77 0.00 1.32 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 1.64 2.16 0.00 114 Q 8.18 4.09 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.70 2.36 0.00 115 D 7.97 4.52 0.00 2.72 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 0.00 116 S 7.76 4.83 0.00 4.40 4.14 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 0.00 117 Y 8.46 4.59 0.00 2.19 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 0.00 118 T 7.28 3.56 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 119 R 7.91 4.02 0.00 2.23 2.31 0.00 3.22 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 120 F 8.24 2.93 0.00 2.54 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 0.00 121 L 7.69 3.44 0.00 1.56 1.53 0.33 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.09 4.35 0.00 1.58 1.74 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 123 S 7.61 4.52 0.00 4.25 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 0.00 124 D 8.62 4.66 0.00 2.90 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 0.00 125 I 7.70 3.73 2.04 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 1.23 0.00 0.00 126 Y 7.60 4.09 0.00 1.69 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 0.00 0.00 0.00 0.00 127 L 8.39 3.88 0.00 1.63 1.77 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 128 D 7.63 4.32 0.00 2.84 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 0.00 129 L 7.35 4.04 0.00 1.39 1.50 1.50 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 130 M 7.48 4.00 0.00 1.79 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 131 E 8.02 3.57 0.00 2.06 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 2.20 2.29 0.00 132 G 7.38 4.20 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 0.00 133 R 7.23 4.55 0.00 1.87 1.84 0.00 3.02 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 134 P 0.00 4.39 0.00 2.06 2.00 0.00 3.69 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 2.02 2.06 0.00