NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3939 8.3344 115.4104 58.2613 64.3837 173.0247 3 H 4.3315 8.3022 121.2901 54.5069 31.0951 173.8892 4 P 4.2501 0.0000 0.0000 65.7804 32.1664 178.1548 5 D 4.5442 8.5255 116.7242 56.5496 40.6822 178.1228 6 L 3.9776 7.7139 121.4363 58.3734 41.5205 178.6412 7 N 4.4001 8.1065 115.8800 56.0987 38.5189 177.5688 8 K 4.0356 8.1127 120.0798 59.2054 32.2112 178.7526 9 L 4.0294 8.0185 120.1169 58.6307 41.7405 178.8786 10 L 4.0803 7.8278 117.6625 57.9300 41.6194 179.0285 11 E 4.1418 7.7424 118.0851 59.0672 29.9718 178.3643 12 L 4.3357 8.1406 118.3328 56.2514 41.8402 178.6307 13 W 4.1195 8.2243 129.3593 60.2443 30.6392 175.9780 14 P 4.2702 0.0000 0.0000 66.4445 30.4457 177.9600 15 H 4.3973 8.0619 115.6332 58.7363 28.5980 177.7775 16 I 3.5532 7.4320 121.2065 64.2637 36.8349 178.0885 17 Q 3.8133 7.7937 120.4079 59.0934 28.8391 178.1454 18 E 3.9375 7.9860 119.6075 59.3713 29.3668 178.7178 19 Y 3.8747 7.8176 119.5043 60.6982 38.8062 177.7679 20 Q 3.7978 8.1774 120.5367 59.1477 29.0861 177.9872 21 D 4.2642 8.1897 120.0791 57.2334 40.9802 178.4693 22 L 3.8575 7.8473 120.6161 57.9390 42.0383 178.8936 23 A 3.9032 7.9177 120.9552 54.9709 18.3082 179.2813 24 L 3.9455 8.0822 119.2122 58.2366 41.9258 179.0986 25 K 3.9534 7.9821 118.3421 58.7302 31.9727 176.8496 26 H 4.6923 7.4944 113.4956 55.4231 28.9611 175.1984 27 G 3.8292 8.3359 106.9805 45.3374 0.0000 173.8560 28 I 4.2947 7.4463 120.6801 59.4349 37.8848 175.6563 29 N 4.4261 8.6713 123.7931 55.3210 39.0905 175.2005 30 D 4.5891 7.6774 118.0615 52.7658 43.3833 175.4196 31 I 3.8371 8.2735 121.0421 62.7339 37.9412 177.2155 32 F 5.0480 8.2203 118.9170 57.5969 39.2292 175.3123 33 Q 4.6632 7.4527 119.2657 54.8230 32.3480 174.4143 34 D 4.4787 9.4772 116.6158 56.1097 38.6854 173.5642 35 N 4.2059 8.3758 109.8728 54.0112 36.7931 177.0856 36 G 3.8952 8.4323 106.9231 48.3379 0.0000 176.3851 37 G 3.8113 7.9428 106.6572 46.7538 0.0000 175.4600 38 K 4.1937 7.7417 120.2376 58.9348 32.5250 178.3874 39 L 3.9326 8.2070 121.0594 58.4056 41.9118 178.8810 40 L 3.8677 7.7132 119.9778 58.1062 42.0880 178.7966 41 Q 3.9348 8.0403 119.0371 59.1618 29.1491 178.1455 42 V 3.5174 7.7495 119.0631 65.8823 31.4641 177.9757 43 L 3.9123 7.9549 118.6775 57.9265 41.2790 179.6241 44 L 3.9187 7.5114 117.2918 57.4911 41.5223 179.4529 45 I 3.8320 7.3316 119.1141 64.3816 37.2153 178.0342 46 T 4.1685 7.7737 108.6721 62.1204 69.0047 175.9379 47 G 3.8183 8.1562 109.3859 45.4390 0.0000 173.2845 48 L 4.5082 7.0663 118.1973 54.2838 42.9758 176.0668 49 T 4.6865 8.8077 114.0410 60.5862 71.1708 172.6232 50 V 4.5595 8.3487 120.2601 59.7804 33.2221 175.6711 51 L 4.5314 8.3505 125.1700 52.4116 43.2459 174.3270 52 P 4.2331 0.0000 0.0000 64.2717 31.7291 176.8704 53 G 3.9108 8.8677 109.5479 45.1516 0.0000 173.5772 54 R 4.0682 7.2896 115.5863 55.9553 29.9576 176.5827 55 A 4.3826 8.2406 120.5302 52.8173 20.2058 178.6218 56 G 3.9866 6.9191 104.3480 46.4453 0.0000 175.4095 57 N 4.8251 8.0890 115.3088 52.5456 36.7980 174.2387 58 D 5.4336 7.7299 117.5615 51.5068 42.8875 176.7529 59 A 5.0363 9.0523 121.9313 50.3799 23.3651 174.8399 60 V 5.7161 9.0472 110.9233 59.1049 36.4464 176.2806 61 D 5.2552 8.4376 122.2042 52.0981 42.0539 176.3117 62 N 4.2722 8.8437 114.9039 56.9251 38.5633 175.7555 63 A 4.2904 8.1471 118.0588 52.0987 18.4645 177.9920 64 G 3.9305 8.0581 104.6127 46.0620 0.0000 174.0395 65 Q 4.0988 8.3830 122.4206 55.9070 30.0107 175.1035 66 E 4.9141 8.5354 125.6057 56.2805 30.9242 175.4207 67 Y 4.9482 9.2179 119.6640 56.4383 43.0956 173.5316 68 E 4.5311 8.5882 123.1893 54.5770 31.4809 174.3876 69 L 5.0014 8.2269 127.1361 53.0445 43.5546 176.1635 70 K 4.8068 8.8151 122.2652 54.7120 36.2169 175.4350 71 S 5.5825 8.9204 118.0792 57.0244 66.6402 173.1976 72 I 4.5482 8.8017 122.0347 59.3116 42.0062 173.7629 73 N 5.3643 8.5510 126.5383 51.7066 39.4115 174.9681 74 I 4.4175 8.7856 118.7412 61.7694 37.8119 177.2281 75 D 4.5617 8.2266 120.5091 56.0116 41.2489 176.6927 76 L 4.5282 7.9398 117.8397 55.8109 43.6256 176.0678 77 T 4.6854 7.3911 110.3193 60.8198 70.7420 173.0910 78 K 4.7201 8.6240 119.8070 55.6692 34.1967 175.7841 79 G 4.4379 7.7135 106.0010 44.2686 0.0000 173.0617 80 F 4.6200 9.5041 123.9641 57.2137 40.1394 175.6591 81 S 4.4526 8.9690 119.4133 59.2107 63.2081 172.1368 82 T 4.6236 9.5014 108.8046 62.0717 71.6004 173.1704 83 H 4.7177 7.4934 118.5592 53.7521 33.5205 174.1906 84 H 4.5642 8.5310 120.8478 57.6214 29.2636 174.2570 85 H 5.1910 8.0682 114.9762 54.2689 27.5842 172.2527 86 M 4.1185 8.7294 124.2185 56.3184 33.9092 175.0025 87 N 4.2675 8.1724 121.1804 50.1870 40.3980 173.2950 88 P 3.9402 0.0000 0.0000 65.7420 30.8425 179.1175 89 V 3.4780 7.3800 116.1997 65.8426 31.7291 177.9440 90 I 3.7545 7.6462 119.0561 64.4110 37.0378 178.1656 91 I 3.5994 7.7339 120.4389 64.4054 36.6725 178.1488 92 A 3.9198 7.7728 120.4803 55.2827 18.1699 179.5932 93 K 4.0345 7.7383 115.8766 59.1761 32.2636 179.0673 94 A 4.3993 8.1993 121.1732 54.9339 18.4919 179.8028 95 R 3.8716 7.6058 115.2066 59.6628 30.2013 177.6311 96 Q 4.3134 8.0656 113.2731 56.8010 29.3647 175.8849 97 V 4.5338 7.3339 110.9480 58.7085 34.2421 174.2885 98 P 4.8375 0.0000 0.0000 62.5909 32.9659 175.1360 99 W 5.2299 9.2730 121.4188 55.1348 32.4253 174.9051 100 I 4.9934 8.5546 124.1476 59.6929 39.4018 174.4697 101 F 5.1773 9.5814 126.6111 55.7300 41.3468 174.3905 102 A 5.2735 9.3404 126.5345 50.4178 21.5087 175.2876 103 I 4.8733 9.0629 123.6378 59.9010 39.5309 174.4397 104 Y 5.0524 9.1781 124.8454 56.4255 41.5052 175.3874 105 R 4.0884 9.2477 123.2381 56.4289 30.1110 177.8797 106 G 3.9688 9.7226 115.4824 45.5029 0.0000 171.6543 107 I 4.3365 8.5836 122.9606 60.3567 40.4779 175.4827 108 A 4.4098 8.1973 125.0997 50.7490 18.8095 176.6388 109 I 3.2812 8.3891 124.1523 61.1339 38.7424 174.4589 110 E 4.6112 8.8164 128.4255 57.6675 31.2540 175.3995 111 A 4.8329 7.5314 117.9572 51.2469 23.0478 175.0237 112 I 5.2312 8.2262 118.9147 59.9440 41.2670 174.3540 113 Y 5.1796 9.5923 123.9331 56.1223 42.1783 174.4370 114 R 5.3300 9.0420 121.3642 54.7119 33.4164 174.1828 115 L 5.2480 9.0943 125.4312 53.1095 45.4019 175.9930 116 E 4.7335 8.9756 122.0692 54.8322 31.4017 175.6292 117 P 4.2943 0.0000 0.0000 66.0620 30.9529 178.8638 118 K 3.9856 8.0733 117.6870 59.4886 31.9622 177.8392 119 D 4.3738 8.0552 116.9338 55.5281 41.3498 177.2608 120 L 4.3267 7.6167 118.6737 54.7439 42.8618 177.9712 121 E 3.8682 7.4233 118.8127 59.0382 29.1287 178.8316 122 F 4.0042 8.0174 120.3659 61.7308 39.2727 176.7169 123 Y 2.8743 7.1538 115.5700 60.4876 37.4843 177.6951 124 Y 4.2047 6.9779 117.1927 61.2662 38.0334 178.3062 125 D 4.3725 8.1560 119.9435 57.0023 40.8458 178.7849 126 K 3.7414 7.1449 120.1367 59.3391 32.1433 178.9919 127 W 4.5023 7.9574 119.4488 59.7620 29.0216 178.2273 128 E 3.9875 8.5386 119.3777 59.3727 28.6489 178.8149 129 R 4.1460 8.2954 118.8174 59.3423 30.0148 178.3959 130 K 4.0881 8.3312 119.5792 58.9005 32.2623 178.4479 131 W 4.1522 8.5068 128.8980 60.7645 30.4432 177.4756 132 Y 3.8215 7.8883 115.8343 61.2235 37.1803 178.4011 133 S 4.2042 7.6296 113.8967 62.0574 63.1510 176.4453 134 D 4.5790 7.9624 116.9527 54.5632 40.3193 176.5973 135 G 3.6360 8.2465 107.8262 46.9188 0.0000 173.4176 136 H 2.0000 7.3404 113.1251 55.5746 26.0936 175.0977 137 K 4.2787 7.4603 119.7447 55.3156 33.0063 175.8087 138 D 4.9498 8.7089 126.0507 54.7757 41.9107 175.6856 139 I 4.1386 8.5000 123.4391 60.5205 38.8211 174.9466 140 N 5.1289 8.8473 126.2704 51.9190 37.9874 173.7589 141 N 4.1397 8.2255 126.9225 53.6134 37.6846 172.3731 142 P 4.4619 0.0000 0.0000 62.9558 32.6793 177.6652 143 K 4.9512 8.6249 120.4567 55.0967 34.9214 175.7904 144 I 3.9541 8.1362 123.1186 58.6429 39.5164 173.8366 145 P 4.7358 0.0000 0.0000 62.6349 32.1239 177.7065 146 V 3.7791 8.7791 122.5410 66.1459 31.3584 178.2925 147 K 3.8653 8.1077 118.8311 59.6301 31.9105 177.9088 148 Y 3.9166 7.8903 119.3996 60.5634 38.7218 178.2055 149 V 3.2470 7.6495 118.5789 66.3169 31.4590 177.8414 150 M 3.0180 7.5344 116.7797 57.6892 31.7015 178.1515 151 E 4.0829 7.7044 117.9955 58.8534 30.0579 177.8956 152 H 4.4564 7.9788 114.4841 55.8845 29.3907 175.7005 153 G 4.0512 7.6680 109.6391 44.7685 0.0000 172.5112 154 T 4.6381 8.4695 115.6988 61.2831 70.6037 174.4732 155 K 3.9442 8.7504 128.9682 56.2447 32.4381 176.2773 156 I 4.4334 8.2929 119.9298 60.7815 38.9307 175.1541 157 Y 4.1575 7.4765 128.8654 58.2871 38.5057 173.7377 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 2 S 8.33 4.39 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.30 4.33 0.00 3.27 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.25 0.00 2.12 2.04 0.00 2.77 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 5 D 8.53 4.54 0.00 2.71 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 6 L 7.71 3.98 0.00 1.79 1.76 0.85 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.11 4.40 0.00 2.81 2.87 0.00 0.00 6.96 7.34 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 8 K 8.11 4.04 0.00 1.99 1.89 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 9 L 8.02 4.03 0.00 1.71 1.97 0.83 0.76 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 10 L 7.83 4.08 0.00 1.67 1.76 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.74 4.14 0.00 2.12 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 2.38 2.40 0.00 12 L 8.14 4.34 0.00 2.03 1.76 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.22 4.12 0.00 3.67 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 14 P 0.00 4.27 0.00 2.21 2.33 0.00 3.90 0.00 0.00 3.92 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 15 H 8.06 4.40 0.00 3.45 3.35 0.00 5.82 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 16 I 7.43 3.55 1.04 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 1.33 0.45 0.43 0.00 0.00 17 Q 7.79 3.81 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 18 E 7.99 3.94 0.00 2.33 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 2.32 2.52 0.00 19 Y 7.82 3.87 0.00 3.00 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 20 Q 8.18 3.80 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 21 D 8.19 4.26 0.00 2.86 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 22 L 7.85 3.86 0.00 1.74 1.53 0.89 0.90 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 23 A 7.92 3.90 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 24 L 8.08 3.95 0.00 1.95 1.68 0.93 0.47 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 25 K 7.98 3.95 0.00 1.71 1.94 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.37 7.81 26 H 7.49 4.69 0.00 3.11 3.21 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.34 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 28 I 7.45 4.29 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.85 0.00 0.00 29 N 8.67 4.43 0.00 2.68 2.86 0.00 0.00 6.87 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 30 D 7.68 4.59 0.00 2.62 2.48 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 31 I 8.27 3.84 1.73 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 0.86 -0.36 0.84 0.00 0.00 32 F 8.22 5.05 0.00 3.26 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 33 Q 7.45 4.66 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.25 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 34 D 9.48 4.48 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.38 4.21 0.00 2.87 2.82 0.00 0.00 6.84 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.43 3.90 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 0.00 37 G 7.94 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 0.00 0.00 0.00 38 K 7.74 4.19 0.00 1.82 1.63 0.00 1.53 0.00 0.00 0.65 0.00 0.00 2.45 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.78 1.22 7.81 39 L 8.21 3.93 0.00 1.80 1.87 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.71 3.87 0.00 1.62 1.58 0.74 0.12 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 41 Q 8.04 3.93 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 42 V 7.75 3.52 2.22 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 0.93 0.00 0.00 1.01 0.00 0.00 43 L 7.95 3.91 0.00 1.79 1.75 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.51 3.92 0.00 1.57 1.65 0.80 0.52 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 45 I 7.33 3.83 1.63 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.64 0.00 0.00 46 T 7.77 4.17 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 1.15 0.00 0.00 47 G 8.16 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.07 4.51 0.00 1.48 1.53 0.50 0.41 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 49 T 8.81 4.69 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 1.26 0.00 0.00 50 V 8.35 4.56 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 0.74 0.00 0.00 0.93 0.00 0.00 51 L 8.35 4.53 0.00 1.69 1.56 0.92 1.01 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 52 P 0.00 4.23 0.00 2.16 2.04 0.00 3.76 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 1.95 0.00 53 G 8.87 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 0.00 0.00 0.00 54 R 7.29 4.07 0.00 1.88 2.02 0.00 3.26 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 55 A 8.24 4.38 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 56 G 6.92 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 0.00 0.00 0.00 57 N 8.09 4.83 0.00 2.65 2.72 0.00 0.00 6.40 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.73 5.43 0.00 2.87 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 59 A 9.05 5.04 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 60 V 9.05 5.72 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 0.79 0.00 0.00 1.01 0.00 0.00 61 D 8.44 5.26 0.00 2.95 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 62 N 8.84 4.27 0.00 2.76 2.94 0.00 0.00 6.73 7.35 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 63 A 8.15 4.29 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 64 G 8.06 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 65 Q 8.38 4.10 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.73 0.00 0.00 0.00 0.00 0.00 1.99 1.54 0.00 66 E 8.54 4.91 0.00 1.82 1.78 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 2.28 2.25 0.00 67 Y 9.22 4.95 0.00 2.78 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 68 E 8.59 4.53 0.00 1.55 1.12 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 1.47 1.47 0.00 69 L 8.23 5.00 0.00 1.62 1.51 0.86 0.56 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 70 K 8.82 4.81 0.00 1.34 1.86 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.55 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.99 1.51 7.81 71 S 8.92 5.58 0.00 3.80 3.85 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 72 I 8.80 4.55 0.75 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 0.91 1.49 0.59 0.00 0.00 73 N 8.55 5.36 0.00 2.79 2.68 0.00 0.00 6.80 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 74 I 8.79 4.42 1.87 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 1.57 1.79 0.88 0.00 0.00 75 D 8.23 4.56 0.00 2.89 2.78 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 76 L 7.94 4.53 0.00 1.61 1.67 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.39 4.69 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 78 K 8.62 4.72 0.00 1.67 1.73 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.34 7.81 79 G 7.71 4.44 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 0.00 0.00 0.00 80 F 9.50 4.62 0.00 3.23 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 81 S 8.97 4.45 0.00 3.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 9.50 4.62 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 1.47 0.00 0.00 83 H 7.49 4.72 0.00 3.07 2.98 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.53 4.56 0.00 3.31 3.52 0.00 5.47 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 85 H 8.07 5.19 0.00 3.15 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.73 4.12 0.00 1.93 1.66 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.93 0.00 87 N 8.17 4.27 0.00 2.01 2.79 0.00 0.00 6.25 7.76 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 88 P 0.00 3.94 0.00 1.65 1.86 0.00 2.20 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 0.68 1.44 0.00 89 V 7.38 3.48 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 0.77 0.00 0.00 0.83 0.00 0.00 90 I 7.65 3.75 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.38 0.78 0.00 0.00 91 I 7.73 3.60 1.86 0.00 0.00 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 1.65 0.84 0.50 0.00 0.00 92 A 7.77 3.92 1.32 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 93 K 7.74 4.03 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 94 A 8.20 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.61 3.87 0.00 1.77 2.04 0.00 3.13 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 96 Q 8.07 4.31 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 97 V 7.33 4.53 2.18 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 0.64 0.00 0.00 1.04 0.00 0.00 98 P 0.00 4.84 0.00 2.26 2.11 0.00 3.39 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.09 0.00 99 W 9.27 5.23 0.00 3.22 2.56 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 0.00 0.00 0.00 0.00 100 I 8.55 4.99 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.91 0.00 0.00 101 F 9.58 5.18 0.00 3.01 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 0.00 102 A 9.34 5.27 1.41 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 0.00 0.00 0.00 0.00 0.00 103 I 9.06 4.87 2.04 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 1.52 1.06 1.00 0.00 0.00 104 Y 9.18 5.05 0.00 3.18 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 0.00 105 R 9.25 4.09 0.00 1.88 1.91 0.00 3.58 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 106 G 9.72 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 0.00 107 I 8.58 4.34 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.92 0.00 0.00 108 A 8.20 4.41 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.39 3.28 1.50 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.12 0.85 0.00 0.00 110 E 8.82 4.61 0.00 1.98 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 2.26 2.41 0.00 111 A 7.53 4.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.23 5.23 1.93 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 1.01 0.00 0.00 113 Y 9.59 5.18 0.00 3.02 2.93 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 0.00 114 R 9.04 5.33 0.00 1.98 1.85 0.00 3.22 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 115 L 9.09 5.25 0.00 1.97 1.61 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.98 4.73 0.00 2.08 1.91 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 2.36 2.48 0.00 117 P 0.00 4.29 0.00 2.22 2.48 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 118 K 8.07 3.99 0.00 1.80 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.49 7.81 119 D 8.06 4.37 0.00 2.82 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 0.00 120 L 7.62 4.33 0.00 1.34 0.63 0.48 0.18 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 0.00 121 E 7.42 3.87 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 122 F 8.02 4.00 0.00 2.88 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 0.00 123 Y 7.15 2.87 0.00 2.30 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 6.98 4.20 0.00 2.99 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 0.00 125 D 8.16 4.37 0.00 2.68 2.63 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 0.00 126 K 7.14 3.74 0.00 1.15 1.37 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.19 7.81 127 W 7.96 4.50 0.00 3.54 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 0.00 128 E 8.54 3.99 0.00 2.32 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 0.00 2.74 2.38 0.00 129 R 8.30 4.15 0.00 2.13 2.15 0.00 3.14 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 130 K 8.33 4.09 0.00 2.00 1.94 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 131 W 8.51 4.15 0.00 3.43 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 0.00 132 Y 7.89 3.82 0.00 3.16 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 0.00 133 S 7.63 4.20 0.00 4.04 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 0.00 134 D 7.96 4.58 0.00 2.61 2.63 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 0.00 135 G 8.25 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 0.00 136 H 7.34 2.00 0.00 2.92 2.84 0.00 5.85 0.00 0.00 0.00 0.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.46 4.28 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 138 D 8.71 4.95 0.00 2.70 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 0.00 139 I 8.50 4.14 1.73 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 1.20 1.06 0.85 0.00 0.00 140 N 8.85 5.13 0.00 2.74 2.76 0.00 0.00 7.35 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 0.00 141 N 8.23 4.14 0.00 2.83 2.78 0.00 0.00 7.17 8.66 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 0.00 142 P 0.00 4.46 0.00 1.79 1.77 0.00 3.48 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.98 0.00 143 K 8.62 4.95 0.00 1.71 1.83 0.00 2.01 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.43 7.81 144 I 8.14 3.95 1.97 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 0.67 0.84 0.54 0.00 0.00 145 P 0.00 4.74 0.00 2.31 2.07 0.00 3.52 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 2.28 2.17 0.00 146 V 8.78 3.78 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.83 0.00 0.00 147 K 8.11 3.87 0.00 1.88 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.49 7.81 148 Y 7.89 3.92 0.00 3.24 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 0.00 149 V 7.65 3.25 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 0.53 0.00 0.00 -0.05 0.00 0.00 150 M 7.53 3.02 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.06 0.00 151 E 7.70 4.08 0.00 1.79 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 2.23 2.45 0.00 152 H 7.98 4.46 0.00 2.62 3.06 0.00 5.64 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 0.00 153 G 7.67 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 0.00 0.00 0.00 154 T 8.47 4.64 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 1.23 0.00 0.00 155 K 8.75 3.94 0.00 1.43 1.55 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 0.79 7.81 156 I 8.29 4.43 1.87 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 1.23 0.86 0.98 0.00 0.00 157 Y 7.48 4.16 0.00 2.84 2.75 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