NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.6296 8.3033 117.8122 54.6921 30.7052 173.4162 1C H 4.1222 8.5541 114.9964 56.3197 26.1132 172.6263 1D H 4.0423 9.1438 115.0089 57.2582 26.8426 173.9579 1E H 5.0337 8.0183 113.3364 53.7778 32.7635 173.1590 1F H 4.5770 8.9143 116.9343 56.0817 28.8541 174.2938 1 F 4.8916 8.3788 119.5445 57.8471 39.9538 174.2081 2 N 4.6172 8.4110 117.3319 52.1165 39.0794 174.6221 3 L 4.8044 7.9281 123.3336 51.8024 44.0781 174.7667 4 P 4.4283 0.0000 0.0000 62.2352 31.8236 174.8046 5 P 4.3607 0.0000 0.0000 63.7942 31.9459 176.6824 6 G 3.7949 7.5691 108.1870 45.0631 0.0000 171.3517 7 N 4.4471 7.9531 115.4527 51.7528 40.3603 173.3687 8 Y 4.7682 8.0292 114.9552 58.4647 38.3385 178.0225 9 K 4.0871 9.3670 126.6632 57.7380 31.7559 181.2793 10 K 4.8110 7.5974 118.3322 51.1017 35.2069 175.3120 11 P 4.8741 0.0000 0.0000 64.1253 32.4279 175.0245 12 K 4.9104 9.5253 118.9064 55.4911 37.5306 174.8964 13 L 5.2422 9.2600 121.2576 53.5367 44.3026 176.3933 14 L 4.9480 8.8503 123.1351 53.3974 42.3294 173.8210 15 Y 4.6912 9.4901 126.3910 57.1493 40.3459 173.3971 16 C 4.0076 8.8171 128.9115 57.8102 32.2147 173.7290 17 S 3.6187 7.8778 122.3237 61.6757 61.9638 174.8393 18 N 4.0649 8.0864 116.6414 56.2206 38.5693 175.1782 19 G 3.8637 7.6210 103.6572 44.5775 0.0000 172.9508 20 G 3.3187 7.7153 107.4178 44.3720 0.0000 173.2333 21 H 4.7566 7.3960 115.2821 53.8469 31.6099 174.0906 22 F 5.3007 8.7913 120.7206 55.9220 40.4410 175.3324 23 L 4.6962 9.1553 126.0717 55.6914 43.3272 175.7318 24 R 5.1455 9.3531 124.9776 54.9573 34.2155 173.6911 25 I 5.0304 8.2716 125.5463 59.4715 39.4720 175.7497 26 L 4.1069 9.1631 128.0298 53.3978 42.2979 176.6499 27 P 4.3141 0.0000 0.0000 65.8221 31.2638 177.5029 28 D 4.4297 7.9373 115.1869 54.1729 39.9294 176.8803 29 G 4.5477 8.5678 109.5135 45.2758 0.0000 173.5901 30 T 4.3317 8.5283 118.0900 63.1533 69.0571 173.5954 31 V 4.9203 8.1007 125.6580 61.2359 34.0155 174.4352 32 D 4.5966 8.5498 125.4601 53.1365 42.9620 173.9666 33 G 4.5332 8.5778 104.6707 45.4032 0.0000 172.3366 34 T 4.9861 8.9382 117.0012 60.2591 70.8336 174.6566 35 R 4.2307 8.9583 125.2741 56.9993 30.8250 176.2873 36 D 4.5963 8.4236 121.9731 53.9713 40.2006 177.5294 37 R 3.7033 8.5954 126.0882 58.1370 29.6160 174.7707 38 S 4.5191 8.3099 109.5422 58.7614 63.5114 174.1512 39 D 4.4164 7.7467 121.3684 54.9593 41.3399 175.8515 40 Q 4.3495 8.4297 122.4906 56.3678 29.3769 175.6638 41 H 4.8173 9.2002 116.4915 55.5491 29.5999 174.4243 42 I 4.6869 7.1718 110.5802 59.9133 38.6549 174.8823 43 Q 4.5303 7.3301 122.9482 54.8917 30.4629 174.5978 44 F 5.2270 9.2621 122.2145 55.5972 43.7324 173.6787 45 Q 4.8518 9.4863 123.2994 54.5535 30.8216 174.4503 46 L 5.7764 8.9373 126.4262 53.0994 43.7081 176.1436 47 S 4.5307 8.2697 114.6129 56.6836 66.9968 172.3061 48 A 4.6654 8.0465 123.2539 50.3853 19.6928 176.4974 49 E 3.8926 8.8590 124.8535 59.0251 30.0371 176.7555 50 S 4.6233 7.4355 112.2233 56.3327 67.1894 173.1486 51 V 3.7625 8.3223 121.5557 65.2622 31.2670 176.2376 52 G 4.0150 9.3336 116.3498 44.8692 0.0000 171.5117 53 E 5.1046 8.4059 120.3599 54.7380 31.8585 175.7052 54 V 4.9561 9.0952 117.2418 59.7168 36.5913 173.8461 55 Y 5.4133 8.7524 118.8932 56.5990 41.1164 175.5136 56 I 4.2559 8.6120 124.1406 59.5357 39.1957 173.5813 57 K 4.5634 8.6242 128.9451 54.2077 34.5062 175.0676 58 S 4.4775 9.1625 123.4071 58.1410 62.5831 174.8279 59 T 3.8173 8.1737 118.8140 64.8115 68.5868 175.7556 60 E 3.9929 8.1770 122.4078 58.5066 29.8354 177.0646 61 T 4.2967 7.9136 105.8773 60.6180 70.0429 175.4010 62 G 3.8277 8.4523 110.3551 45.5562 0.0000 173.7282 63 Q 4.4462 7.6904 118.9343 55.9534 30.3277 174.6110 64 Y 4.7719 9.1247 120.9723 56.1682 39.9255 175.0437 65 L 4.3273 9.0599 127.0228 55.5128 43.3157 175.6330 66 A 4.9343 8.7320 126.1330 50.8930 23.3476 174.4073 67 M 5.3193 8.6182 119.1094 53.7355 34.8717 175.4585 68 D 5.0869 9.7921 126.7320 52.7499 40.7949 177.0006 69 T 3.9976 8.5821 113.0915 64.8367 67.2454 174.0269 70 D 4.7958 8.8249 119.5176 53.9240 41.0492 177.1934 71 G 3.4916 8.6435 108.1002 45.0008 0.0000 172.9987 72 L 4.5807 7.8791 120.3905 53.8072 43.1020 176.0171 73 V 4.6524 8.4904 124.6255 62.7542 32.5885 174.3938 74 Y 4.9364 9.2518 125.2509 55.8391 42.3219 173.5584 75 G 4.3248 8.7059 107.3037 45.0264 0.0000 173.3277 76 S 5.0164 9.0742 121.3684 57.0195 63.9550 175.2870 77 Q 4.1447 9.0642 125.8737 58.3111 28.8887 176.4888 78 T 4.6374 7.5258 105.4924 58.5364 71.5507 171.6046 79 P 3.5462 0.0000 0.0000 62.2000 32.0464 175.1581 80 N 4.9327 8.0028 117.7130 51.3512 40.5553 174.6371 81 E 3.8975 8.7682 115.0472 59.2850 29.6703 178.1468 82 E 4.2139 8.8852 118.0612 57.2206 29.7289 177.2467 83 C 4.9398 7.9273 115.6383 59.0554 29.2338 173.5177 84 L 4.7130 7.2899 120.6932 53.9656 42.7644 175.8907 85 F 5.1960 9.1214 121.6037 55.6071 43.4155 174.5695 86 L 4.8424 9.1102 123.3015 53.8564 42.3025 175.5801 87 E 4.3511 9.0183 127.1220 55.5047 30.1033 175.8192 88 R 4.8375 8.5990 125.2007 54.0526 35.0234 174.4635 89 L 4.7690 8.8017 123.3488 55.1474 43.1352 175.7880 90 E 4.6664 9.2516 124.9910 55.2095 33.4838 175.0350 91 E 4.0030 9.5382 124.5586 57.9445 27.2256 173.8537 92 N 4.2838 8.4416 110.9602 53.9988 36.6209 174.2524 93 H 4.8196 8.1136 115.7899 57.5108 37.5705 173.1543 94 Y 4.7087 8.1876 116.8819 57.3477 40.1187 173.6826 95 N 5.5622 9.2836 118.2352 51.9809 41.2402 174.5694 96 T 5.1242 8.8296 112.5181 60.1142 72.9695 172.5531 97 Y 5.1013 8.7214 119.5545 56.6355 41.5224 174.1994 98 I 4.6043 8.4216 126.1167 59.2828 39.3683 175.5050 99 S 3.8409 9.0893 122.9098 58.3687 62.3960 173.8680 100 K 3.8904 8.7558 129.3991 59.3967 32.2424 178.5469 101 K 3.7105 7.9084 118.0435 59.1271 32.2009 176.7321 102 H 4.7787 7.8569 114.2502 55.1489 29.4006 175.9520 103 A 3.9046 7.6747 126.4108 55.1239 18.2857 180.8104 104 E 3.9358 8.0337 112.6723 58.7887 29.5936 177.7738 105 K 4.2225 7.6295 116.6912 55.2789 32.6436 175.7479 106 N 3.8550 7.6922 115.3906 53.9465 36.5344 174.8071 107 W 5.0111 7.7457 117.7999 56.2491 30.7708 177.3158 108 F 5.4726 9.1801 123.6823 55.4639 41.3807 174.7874 109 L 4.5260 9.1373 122.5331 54.8812 43.1544 175.6921 110 G 4.3759 8.5283 110.6480 45.3330 0.0000 171.5456 111 L 5.2475 8.4011 122.0157 52.4371 44.8190 177.0647 112 K 4.2845 9.1057 123.4120 55.5099 32.8602 178.2106 113 K 3.8554 8.5415 120.0642 59.5213 31.9417 177.7533 114 N 4.5904 8.1040 113.7527 52.5363 37.6479 175.9108 115 G 3.5323 8.3575 108.1115 45.5156 0.0000 173.2324 116 S 5.0237 7.8320 115.2551 56.8119 64.9691 174.3182 117 V 4.2798 8.2835 122.1336 61.7972 32.2106 175.5693 118 K 4.4551 8.5979 122.5206 55.2306 33.7220 176.7066 119 R 4.1357 8.5476 123.3625 55.8260 31.1980 177.3391 120 G 3.2979 8.3238 115.4939 48.0627 0.0000 174.1864 121 P 4.1893 0.0000 0.0000 64.4318 31.3874 177.3792 122 R 4.1012 7.9432 117.4876 57.3965 30.3199 176.4647 123 T 5.0999 7.4276 107.7701 59.9755 70.7264 173.4740 124 H 4.7650 7.9621 114.8816 54.8861 30.5532 173.0276 125 Y 4.1297 8.8179 118.8162 59.9759 37.9895 177.0956 126 G 4.0973 9.1116 111.9195 45.3531 0.0000 173.6526 127 Q 4.3176 7.6155 119.0222 54.9106 30.0111 177.1659 128 K 3.8015 8.3272 119.5668 58.8916 32.7827 179.3562 129 A 3.9690 8.0892 121.1155 53.8287 18.2743 178.5152 130 I 4.4167 7.1433 106.0524 60.5728 38.7458 175.3902 131 L 4.3512 7.3382 123.3337 53.9864 42.6275 175.8547 132 F 5.3945 9.2974 122.1428 55.6132 43.2459 174.4058 133 L 5.2016 9.3047 121.1030 52.4630 44.8698 173.9973 134 P 5.2477 0.0000 0.0000 62.3200 32.2951 175.5219 135 L 4.9250 9.1014 125.0334 51.8753 44.7650 174.5359 136 P 4.6340 0.0000 0.0000 62.7899 32.3093 177.0292 137 V 3.8112 8.1921 114.3983 61.7311 31.6664 176.2784 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 1B H 8.30 4.63 0.00 3.06 3.46 0.00 5.76 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 1C H 8.55 4.12 0.00 3.45 3.46 0.00 6.05 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.14 4.04 0.00 3.28 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 8.02 5.03 0.00 3.19 3.24 0.00 5.66 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 1F H 8.91 4.58 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 8.38 4.89 0.00 2.71 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 2 N 8.41 4.62 0.00 2.90 2.76 0.00 0.00 6.87 6.74 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 3 L 7.93 4.80 0.00 1.45 1.40 0.55 0.37 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 4 P 0.00 4.43 0.00 2.12 2.24 0.00 3.42 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 5 P 0.00 4.36 0.00 2.16 2.17 0.00 3.73 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 1.94 1.93 0.00 6 G 7.57 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.95 4.45 0.00 2.59 2.61 0.00 0.00 5.82 7.55 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 8 Y 8.03 4.77 0.00 3.05 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 9 K 9.37 4.09 0.00 1.73 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.27 7.81 10 K 7.60 4.81 0.00 1.72 1.57 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 0.95 7.81 11 P 0.00 4.87 0.00 2.06 2.12 0.00 3.73 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 1.98 1.99 0.00 12 K 9.53 4.91 0.00 1.73 1.94 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.68 7.81 13 L 9.26 5.24 0.00 1.74 1.74 0.76 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.85 4.95 0.00 1.55 1.56 0.18 0.81 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 15 Y 9.49 4.69 0.00 3.16 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 16 C 8.82 4.01 0.00 2.43 2.46 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 17 S 7.88 3.62 0.00 3.70 3.45 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 18 N 8.09 4.06 0.00 2.57 2.69 0.00 0.00 6.72 7.98 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 19 G 7.62 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 0.00 0.00 0.00 20 G 7.72 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 0.00 0.00 0.00 21 H 7.40 4.76 0.00 3.01 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.79 5.30 0.00 3.13 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 23 L 9.16 4.70 0.00 1.81 1.56 0.85 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.35 5.15 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 25 I 8.27 5.03 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.23 0.96 0.00 0.00 26 L 9.16 4.11 0.00 1.79 1.51 0.92 0.81 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 27 P 0.00 4.31 0.00 2.02 2.13 0.00 3.49 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 28 D 7.94 4.43 0.00 2.79 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 29 G 8.57 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 30 T 8.53 4.33 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 31 V 8.10 4.92 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 0.91 0.00 0.00 1.02 0.00 0.00 32 D 8.55 4.60 0.00 2.91 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 33 G 8.58 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 0.00 0.00 0.00 0.00 34 T 8.94 4.99 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 1.37 0.00 0.00 35 R 8.96 4.23 0.00 1.90 2.01 0.00 3.21 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 36 D 8.42 4.60 0.00 2.84 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 37 R 8.60 3.70 0.00 1.87 1.83 0.00 3.31 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 38 S 8.31 4.52 0.00 3.92 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 39 D 7.75 4.42 0.00 2.76 2.67 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 40 Q 8.43 4.35 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.26 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 41 H 9.20 4.82 0.00 3.21 3.35 0.00 5.76 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 42 I 7.17 4.69 1.95 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 1.03 0.00 0.00 43 Q 7.33 4.53 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 44 F 9.26 5.23 0.00 2.87 2.84 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 45 Q 9.49 4.85 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 46 L 8.94 5.78 0.00 1.80 1.57 0.97 1.08 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 47 S 8.27 4.53 0.00 3.85 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 48 A 8.05 4.67 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.86 3.89 0.00 1.40 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 50 S 7.44 4.62 0.00 3.87 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 51 V 8.32 3.76 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 0.92 0.00 0.00 1.03 0.00 0.00 52 G 9.33 4.01 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 0.00 0.00 0.00 53 E 8.41 5.10 0.00 1.81 1.76 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 2.20 2.27 0.00 54 V 9.10 4.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.17 0.00 0.00 55 Y 8.75 5.41 0.00 2.95 2.91 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 56 I 8.61 4.26 1.47 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.44 0.29 0.00 0.00 57 K 8.62 4.56 0.00 1.05 1.39 0.00 1.33 0.00 0.00 0.62 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.03 0.91 7.81 58 S 9.16 4.48 0.00 3.81 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 59 T 8.17 3.82 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 1.14 0.00 0.00 60 E 8.18 3.99 0.00 1.85 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 2.14 2.30 0.00 61 T 7.91 4.30 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 1.25 0.00 0.00 62 G 8.45 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 63 Q 7.69 4.45 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 64 Y 9.12 4.77 0.00 2.85 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 65 L 9.06 4.33 0.00 1.43 1.27 0.72 0.01 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 66 A 8.73 4.93 0.59 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 67 M 8.62 5.32 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.69 0.00 68 D 9.79 5.09 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.58 4.00 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 1.26 0.00 0.00 70 D 8.82 4.80 0.00 2.70 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 71 G 8.64 3.49 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 0.00 72 L 7.88 4.58 0.00 2.04 1.66 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.49 4.65 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 0.86 0.00 0.00 1.03 0.00 0.00 74 Y 9.25 4.94 0.00 3.03 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 75 G 8.71 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 76 S 9.07 5.02 0.00 3.90 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 77 Q 9.06 4.14 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.53 4.64 4.15 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 1.21 0.00 0.00 79 P 0.00 3.55 0.00 1.54 0.49 0.00 3.51 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 80 N 8.00 4.93 0.00 2.91 2.90 0.00 0.00 6.01 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 81 E 8.77 3.90 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 82 E 8.89 4.21 0.00 2.27 2.26 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 2.37 2.33 0.00 83 C 7.93 4.94 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.29 4.71 0.00 1.58 1.44 0.81 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.12 5.20 0.00 3.10 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 86 L 9.11 4.84 0.00 1.52 1.63 0.84 0.65 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 87 E 9.02 4.35 0.00 2.14 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 2.20 1.93 0.00 88 R 8.60 4.84 0.00 1.80 1.90 0.00 3.15 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 89 L 8.80 4.77 0.00 1.48 1.59 0.92 0.78 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 90 E 9.25 4.67 0.00 2.18 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 2.29 2.44 0.00 91 E 9.54 4.00 0.00 2.40 2.14 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 2.28 2.39 0.00 92 N 8.44 4.28 0.00 2.81 2.87 0.00 0.00 6.87 8.16 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 93 H 8.11 4.82 0.00 2.87 3.06 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.19 4.71 0.00 2.95 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 95 N 9.28 5.56 0.00 3.00 2.53 0.00 0.00 6.94 7.89 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 96 T 8.83 5.12 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 97 Y 8.72 5.10 0.00 2.88 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 98 I 8.42 4.60 1.70 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.32 0.62 0.00 0.00 99 S 9.09 3.84 0.00 3.72 4.01 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 0.00 100 K 8.76 3.89 0.00 1.67 1.69 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.20 7.81 101 K 7.91 3.71 0.00 1.55 1.57 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.27 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.16 7.81 102 H 7.86 4.78 0.00 3.04 2.19 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.67 3.90 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 0.00 104 E 8.03 3.94 0.00 1.99 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 0.00 2.12 2.16 0.00 105 K 7.63 4.22 0.00 0.84 1.75 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.05 7.81 106 N 7.69 3.86 0.00 2.99 2.84 0.00 0.00 6.91 7.20 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 0.00 107 W 7.75 5.01 0.00 3.26 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 0.00 108 F 9.18 5.47 0.00 2.81 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 0.00 109 L 9.14 4.53 0.00 1.70 1.57 0.82 0.17 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 0.00 110 G 8.53 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 0.00 0.00 0.00 0.00 111 L 8.40 5.25 0.00 1.46 1.45 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.11 4.28 0.00 1.93 1.67 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.50 7.81 113 K 8.54 3.86 0.00 1.70 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.49 7.81 114 N 8.10 4.59 0.00 2.79 2.89 0.00 0.00 6.09 7.00 0.00 0.00 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 G 8.36 3.53 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 0.00 0.00 0.00 0.00 116 S 7.83 5.02 0.00 3.92 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 0.00 117 V 8.28 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 0.79 0.00 0.00 0.99 0.00 0.00 118 K 8.60 4.46 0.00 1.63 1.72 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.33 7.81 119 R 8.55 4.14 0.00 1.73 1.61 0.00 3.23 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.00 120 G 8.32 3.30 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 0.00 121 P 0.00 4.19 0.00 2.06 2.23 0.00 2.69 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 122 R 7.94 4.10 0.00 1.81 1.96 0.00 3.27 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 123 T 7.43 5.10 4.30 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 1.23 0.00 0.00 124 H 7.96 4.76 0.00 3.37 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.82 4.13 0.00 3.16 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 0.00 126 G 9.11 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 0.00 127 Q 7.62 4.32 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 128 K 8.33 3.80 0.00 1.63 1.64 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.25 7.81 129 A 8.09 3.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.14 4.42 1.53 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 1.24 0.90 0.60 0.00 0.00 131 L 7.34 4.35 0.00 0.81 0.55 0.37 0.88 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 0.00 132 F 9.30 5.39 0.00 3.39 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.30 5.20 0.00 2.10 1.79 0.91 1.45 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 0.00 134 P 0.00 5.25 0.00 2.17 2.21 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 135 L 9.10 4.93 0.00 1.66 1.63 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.63 0.00 1.93 1.99 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 137 V 8.19 3.81 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 0.63 0.00 0.00 0.91 0.00 0.00