NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4500 8.3149 122.0585 56.5611 33.8370 176.0721 4 C 4.9939 8.2968 120.7758 53.4114 42.4594 171.7093 5 S 4.8671 9.3175 120.1318 56.2692 63.8400 173.9989 6 L 4.0782 8.4393 125.9964 56.5320 41.7453 177.6200 7 T 3.9253 7.1026 115.4829 64.2684 68.9286 172.8280 8 G 3.6226 7.9722 111.5049 43.7573 0.0000 171.8969 9 K 5.0671 8.1094 117.9868 54.5274 34.6292 175.9789 10 W 5.6498 9.3035 123.3405 55.1644 33.7748 174.3078 11 T 5.3441 9.3024 112.6693 60.0566 71.9337 172.4842 12 N 5.9417 8.6853 120.0394 49.8149 40.3247 174.9539 13 N 4.3769 8.7053 115.2383 55.3080 37.3809 175.7331 14 L 4.2063 8.0417 117.4867 54.9720 42.0518 177.5530 15 G 3.9766 8.1953 107.7527 44.8111 0.0000 174.1435 16 S 4.5466 7.9243 115.5931 58.6204 64.5779 173.0659 17 I 5.2290 8.5401 122.5658 59.7549 40.5114 174.6137 18 M 5.0845 9.0615 122.8258 53.7262 35.1832 174.2708 19 T 4.9831 8.8422 116.6476 61.9914 72.0982 172.8392 20 I 4.6671 8.7382 127.8083 59.8181 39.7116 176.2588 21 R 4.6020 8.5641 127.1830 55.2967 32.6960 175.7889 22 A 3.9909 8.5930 123.2341 53.1951 18.9297 177.4502 23 V 4.2194 7.7547 122.0070 61.8496 32.4555 176.0135 24 N 4.8100 8.7891 125.6960 51.5692 39.0024 175.7114 25 S 4.2511 8.4280 111.5998 60.6831 63.2679 175.2433 26 R 4.0542 8.0934 118.7918 57.0618 30.4235 177.2592 27 G 4.5015 8.3750 106.5628 46.1036 0.0000 173.0667 28 E 4.7460 8.4195 120.1461 56.2690 30.7873 175.9100 29 F 5.2093 8.5118 116.9598 55.8667 41.9658 172.8807 30 T 5.0456 8.6170 113.9430 60.2288 71.6580 172.6106 31 G 3.8273 7.3399 108.5800 45.9942 0.0000 171.8026 32 T 5.2580 7.8480 108.5363 60.1467 72.9762 172.5046 33 Y 4.8195 9.2018 123.4747 56.0031 42.3769 173.6142 34 L 4.8997 9.0559 129.9386 53.4569 43.4610 175.1875 35 T 4.5778 8.9585 120.6936 61.7623 68.0841 174.5371 36 A 4.2451 8.7579 131.0568 53.9123 18.9407 177.9933 37 V 4.4525 7.3048 106.9977 59.9014 35.3080 174.4123 38 A 4.3612 7.9106 123.0197 51.1226 21.8569 176.1091 39 D 4.4286 8.6903 119.0945 56.8745 41.4562 176.1797 40 N 4.9226 7.7086 116.8126 50.1049 39.4064 172.7240 41 P 4.1703 0.0000 0.0000 64.8811 31.8908 179.6210 42 G 3.6370 8.0089 107.0430 47.7071 0.0000 173.6567 43 N 4.6262 7.8201 115.5996 52.9964 39.2399 175.5410 44 I 2.0000 6.9071 120.4722 61.0354 37.4961 175.4892 45 T 4.6875 7.3092 113.6307 59.0309 71.8911 173.1840 46 L 4.2539 8.6199 124.4912 56.2168 42.5916 176.3722 47 S 5.0801 9.1409 121.1094 56.0516 67.3908 171.7509 48 P 5.1295 0.0000 0.0000 62.5226 32.9247 174.8349 49 L 5.3192 8.6439 120.7953 54.2413 44.4282 175.0481 50 L 4.7262 8.7324 121.5564 54.0945 46.0145 175.0691 51 G 4.0966 8.0380 112.1377 45.5769 0.0000 171.2132 52 I 5.2492 8.4379 119.4422 59.5475 41.5356 175.1299 53 Q 5.4077 9.3990 124.4308 54.5426 31.8688 174.8734 54 H 4.6655 8.9181 117.4033 55.9002 29.5385 175.7247 55 K 4.4103 8.5687 121.1864 58.3159 33.3902 178.4412 56 R 4.0613 8.0386 116.1879 58.6941 30.3910 177.3366 57 A 4.1951 7.8175 119.9572 51.9037 18.8912 177.6610 58 S 4.3324 8.7510 116.3528 60.6537 63.7953 173.4358 59 Q 5.1924 7.8364 118.8494 52.0919 28.0839 173.4247 60 P 4.5120 0.0000 0.0000 62.8497 33.5374 177.2516 61 T 4.7708 8.4171 118.3218 63.7507 70.4758 173.1242 62 F 5.2831 8.1602 117.1926 56.6408 41.9218 172.9052 63 G 4.7526 9.4491 105.6094 45.2132 0.0000 171.6674 64 F 5.5429 9.0695 115.0423 55.8323 42.0532 172.9756 65 T 5.0071 9.0437 116.8894 61.8776 71.5087 173.4536 66 V 4.3699 8.7274 126.3901 61.3484 33.5054 174.1027 67 H 4.4069 8.3016 129.3199 54.3776 29.7313 174.5779 68 W 4.2789 7.3405 125.8605 56.8507 29.0596 176.5204 69 N 4.7673 9.3161 121.7079 53.8118 38.3694 175.5062 70 F 5.0087 7.4858 111.1804 56.0907 39.0491 174.2445 71 S 4.5427 7.2317 113.8399 57.1166 65.1192 173.4200 72 E 4.1884 8.5575 122.8251 57.1738 28.2743 177.1006 73 S 4.7845 7.8293 115.1363 58.2160 65.2309 173.2139 74 T 5.0116 8.8182 115.7884 62.2419 72.9022 173.3083 75 T 5.1547 8.4307 120.7763 61.8767 72.0491 173.4879 76 V 4.9074 8.6298 118.1795 59.5913 35.0390 174.6833 77 F 5.2939 8.8572 122.6382 55.9918 42.3055 174.2627 78 T 4.7219 8.8030 116.2812 60.7478 71.4009 173.6319 79 G 4.6131 6.7157 110.4223 46.8342 0.0000 171.4678 80 Q 4.9019 7.8173 119.6054 54.3717 33.1069 175.6365 81 C 5.1014 8.9790 125.9109 55.6531 46.1316 172.1183 82 F 5.3162 9.1823 125.7036 55.9955 41.3235 174.8327 83 I 5.1301 8.9807 123.8407 59.7209 39.1693 175.8025 84 D 4.8001 8.9634 127.8335 51.7512 41.1395 177.2945 85 R 3.9236 8.4965 114.6852 58.7833 29.2981 176.9669 86 N 4.6177 8.5279 114.5744 52.8245 38.7845 175.8277 87 G 3.9324 8.3714 106.9117 45.2364 0.0000 173.7856 88 K 4.2007 8.0330 121.2527 55.9396 32.8677 175.0276 89 E 5.3554 8.7047 124.8332 54.9012 32.1348 174.9419 90 V 5.0090 8.9275 123.0264 61.2524 35.4174 174.0233 91 L 5.0269 9.1270 127.9213 53.6153 43.3596 175.5997 92 K 5.0681 9.0765 125.0306 55.3812 33.7277 176.0523 93 T 5.3744 9.2821 114.8966 60.2617 72.7339 172.7568 94 M 5.4463 9.0746 121.7276 53.4450 36.1386 174.6951 95 W 5.4929 8.5308 117.2045 54.8358 32.4252 173.7029 96 L 5.3258 8.8449 120.4146 52.9264 44.8078 175.2173 97 L 5.0036 9.3045 125.9269 53.3665 44.6562 174.9226 98 R 4.8039 9.0041 128.5031 55.3223 31.1559 175.7777 99 S 4.7806 8.9111 123.5569 57.9576 64.3026 173.8625 100 S 4.4396 8.4516 117.5257 57.8003 62.7650 173.8436 101 V 4.3625 8.1524 119.6044 59.2442 34.4105 175.6192 102 N 4.4455 8.3659 118.6211 56.3282 38.7512 174.7775 103 D 4.6199 7.6727 115.3326 51.2260 42.0920 175.7937 104 I 3.8660 8.2829 118.3066 63.7030 37.5733 177.4217 105 S 4.2780 8.3636 114.2384 60.6520 63.1231 174.8738 106 Y 4.5615 7.9387 119.1802 57.8745 38.1408 176.5430 107 D 4.3848 8.1291 121.3277 57.1413 41.0153 178.1356 108 W 4.3214 8.4246 115.4835 58.7564 28.0759 176.5834 109 K 3.8428 6.6324 115.5120 56.1545 31.9927 176.7069 110 A 4.2297 7.6941 122.1548 53.0447 19.3098 177.1816 111 T 5.0939 7.6008 112.1640 61.6055 70.9185 173.8360 112 L 4.7015 8.9620 127.5141 53.8331 43.6936 176.4203 113 V 4.4162 7.7268 119.9455 60.3762 34.6877 175.1364 114 G 3.1712 6.2736 107.2884 45.7421 0.0000 171.2540 115 Y 5.5147 8.0499 116.8433 55.6284 41.6795 174.5586 116 N 5.2927 9.5591 115.5696 52.3761 43.9885 173.3277 117 N 5.7925 9.5229 120.2010 51.6802 41.4708 173.6693 118 F 5.6846 9.6326 122.4670 55.9965 42.3934 174.5802 119 T 5.5023 9.0684 111.7611 59.7092 72.6425 173.2498 120 R 3.8105 8.4412 121.0614 55.8720 30.9370 176.2892 121 L 4.0769 8.1761 126.2629 55.8780 42.5981 176.9140 122 S 4.3613 8.6398 121.7056 58.8285 62.2118 168.9535 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 3 K 8.31 4.45 0.00 1.80 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 4 C 8.30 4.99 0.00 3.08 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 5 S 9.32 4.87 0.00 3.85 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 6 L 8.44 4.08 0.00 0.90 0.88 0.34 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.10 3.93 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 1.18 0.00 0.00 8 G 7.97 3.62 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 0.00 0.00 0.00 9 K 8.11 5.07 0.00 1.56 1.62 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.35 7.81 10 W 9.30 5.65 0.00 3.19 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 11 T 9.30 5.34 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 12 N 8.69 5.94 0.00 2.26 1.42 0.00 0.00 6.64 6.87 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 13 N 8.71 4.38 0.00 2.91 3.07 0.00 0.00 5.96 7.79 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 14 L 8.04 4.21 0.00 1.80 1.75 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.20 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 16 S 7.92 4.55 0.00 3.94 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 17 I 8.54 5.23 1.83 0.00 0.00 0.85 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 0.79 0.89 0.00 0.00 18 M 9.06 5.08 0.00 1.42 2.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 19 T 8.84 4.98 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 20 I 8.74 4.67 1.93 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.55 0.52 0.00 0.00 21 R 8.56 4.60 0.00 1.69 1.91 0.00 3.17 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 22 A 8.59 3.99 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 23 V 7.75 4.22 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 0.90 0.00 0.00 0.85 0.00 0.00 24 N 8.79 4.81 0.00 2.99 2.98 0.00 0.00 6.34 7.47 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 25 S 8.43 4.25 0.00 4.01 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 26 R 8.09 4.05 0.00 1.98 2.02 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 27 G 8.38 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 0.00 0.00 0.00 0.00 28 E 8.42 4.75 0.00 2.04 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 2.27 2.24 0.00 29 F 8.51 5.21 0.00 3.00 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 30 T 8.62 5.05 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 1.21 0.00 0.00 31 G 7.34 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 0.00 0.00 0.00 32 T 7.85 5.26 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 33 Y 9.20 4.82 0.00 2.94 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 34 L 9.06 4.90 0.00 1.79 1.55 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.96 4.58 4.66 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 1.22 0.00 0.00 36 A 8.76 4.25 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 37 V 7.30 4.45 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 0.70 0.00 0.00 0.88 0.00 0.00 38 A 7.91 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.69 4.43 0.00 2.55 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 40 N 7.71 4.92 0.00 2.76 2.68 0.00 0.00 6.89 8.03 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 41 P 0.00 4.17 0.00 2.14 2.24 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 42 G 8.01 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 43 N 7.82 4.63 0.00 2.89 2.95 0.00 0.00 6.99 7.05 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 44 I 6.91 2.00 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.05 0.77 0.00 0.00 45 T 7.31 4.69 4.33 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 1.26 0.00 0.00 46 L 8.62 4.25 0.00 1.73 1.71 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.14 5.08 0.00 3.96 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 48 P 0.00 5.13 0.00 2.07 2.15 0.00 3.94 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 49 L 8.64 5.32 0.00 1.89 1.72 0.83 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.73 4.73 0.00 1.68 1.41 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.04 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 52 I 8.44 5.25 1.87 0.00 0.00 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 1.18 0.69 0.90 0.00 0.00 53 Q 9.40 5.41 0.00 2.23 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.98 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 54 H 8.92 4.67 0.00 3.20 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.57 4.41 0.00 1.76 1.87 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.53 7.81 56 R 8.04 4.06 0.00 1.83 2.01 0.00 3.23 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 57 A 7.82 4.20 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 58 S 8.75 4.33 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.84 5.19 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 60 P 0.00 4.51 0.00 2.23 2.35 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 61 T 8.42 4.77 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 62 F 8.16 5.28 0.00 3.51 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 63 G 9.45 4.75 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 0.00 0.00 0.00 64 F 9.07 5.54 0.00 3.17 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 65 T 9.04 5.01 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 1.16 0.00 0.00 66 V 8.73 4.37 1.16 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 -0.62 0.00 0.00 0.78 0.00 0.00 67 H 8.30 4.41 0.00 3.11 3.10 0.00 6.01 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 7.34 4.28 0.00 2.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.32 4.77 0.00 2.93 3.01 0.00 0.00 6.82 6.99 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 70 F 7.49 5.01 0.00 3.17 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 71 S 7.23 4.54 0.00 3.30 3.24 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 72 E 8.56 4.19 0.00 1.95 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 2.21 0.00 73 S 7.83 4.78 0.00 4.06 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 74 T 8.82 5.01 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 1.16 0.00 0.00 75 T 8.43 5.15 4.36 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 0.67 0.00 0.00 76 V 8.63 4.91 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 0.73 0.00 0.00 0.90 0.00 0.00 77 F 8.86 5.29 0.00 1.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.80 4.72 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 1.15 0.00 0.00 79 G 6.72 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.82 4.90 0.00 1.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.90 0.00 0.00 0.00 0.00 0.00 1.34 2.26 0.00 81 C 8.98 5.10 0.00 3.02 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 82 F 9.18 5.32 0.00 3.10 2.94 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 83 I 8.98 5.13 1.96 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 1.37 0.69 0.97 0.00 0.00 84 D 8.96 4.80 0.00 2.92 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 0.00 85 R 8.50 3.92 0.00 1.96 2.13 0.00 3.03 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 86 N 8.53 4.62 0.00 2.87 2.90 0.00 0.00 7.08 7.27 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 87 G 8.37 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 0.00 0.00 0.00 88 K 8.03 4.20 0.00 1.84 2.06 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.51 7.81 89 E 8.70 5.36 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 90 V 8.93 5.01 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.09 0.00 0.00 91 L 9.13 5.03 0.00 1.73 1.70 -0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.08 5.07 0.00 2.00 1.95 0.00 1.98 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.84 7.81 93 T 9.28 5.37 4.72 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 1.65 0.00 0.00 94 M 9.07 5.45 0.00 1.86 1.93 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 2.51 2.48 0.00 95 W 8.53 5.49 0.00 2.68 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 0.00 0.00 0.00 96 L 8.84 5.33 0.00 1.60 1.59 0.91 0.39 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 97 L 9.30 5.00 0.00 1.75 1.74 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.00 4.80 0.00 1.96 1.80 0.00 3.34 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 99 S 8.91 4.78 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.45 4.44 0.00 3.84 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 0.00 101 V 8.15 4.36 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 0.68 0.00 0.00 1.01 0.00 0.00 102 N 8.37 4.45 0.00 2.58 2.87 0.00 0.00 6.73 8.06 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 0.00 103 D 7.67 4.62 0.00 2.93 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 0.00 104 I 8.28 3.87 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.36 0.94 0.00 0.00 105 S 8.36 4.28 0.00 3.94 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 0.00 106 Y 7.94 4.56 0.00 3.11 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.38 0.00 2.93 2.81 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 0.00 108 W 8.42 4.32 0.00 3.61 3.24 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 0.00 109 K 6.63 3.84 0.00 1.07 0.74 0.00 1.15 0.00 0.00 1.16 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.79 0.91 7.81 110 A 7.69 4.23 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 0.00 111 T 7.60 5.09 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 1.22 0.00 0.00 112 L 8.96 4.70 0.00 1.86 1.80 1.00 0.95 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 0.00 113 V 7.73 4.42 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 0.58 0.00 0.00 0.75 0.00 0.00 114 G 6.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.05 5.51 0.00 3.06 2.81 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 0.00 116 N 9.56 5.29 0.00 3.22 2.54 0.00 0.00 7.24 6.51 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 0.00 117 N 9.52 5.79 0.00 2.78 2.88 0.00 0.00 6.70 7.74 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 0.00 118 F 9.63 5.68 0.00 2.79 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 0.00 119 T 9.07 5.50 4.37 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 1.38 0.00 0.00 120 R 8.44 3.81 0.00 1.43 1.47 0.00 2.87 0.00 0.00 2.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 121 L 8.18 4.08 0.00 1.55 1.47 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.64 4.36 0.00 3.93 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