NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1383 8.0549 120.3372 61.4756 33.4285 175.7272 2 L 3.5463 7.9341 119.6394 52.4311 42.0384 176.4929 3 S 4.2484 8.3538 117.8761 58.7489 65.5894 174.5384 4 E 4.0817 9.0541 123.9294 59.9478 29.3776 179.3175 5 G 3.7791 8.1708 104.5680 48.2743 0.0000 174.8917 6 E 3.9275 8.9644 122.6070 58.6689 29.3421 179.7002 7 W 4.1783 8.8473 119.1469 60.0560 28.9628 178.0275 8 Q 4.0527 8.0668 119.2006 59.5096 27.9541 179.3561 9 L 3.9795 7.9790 119.0020 57.8867 41.3836 179.5172 10 V 3.7315 8.1859 118.5495 66.3714 31.3927 178.0991 11 L 4.1827 8.9503 119.1584 58.1285 41.1979 178.9983 12 H 4.2715 8.2713 118.1987 59.0913 29.7358 177.4878 13 V 3.6022 7.7226 119.2533 66.0310 31.3093 177.1479 14 W 4.2910 8.0584 126.9925 60.6764 30.1453 177.4336 15 A 3.9114 8.2685 120.9215 55.4487 18.1158 179.6438 16 K 3.9655 7.5839 116.4331 59.6133 32.1203 179.8053 17 V 3.0417 7.7134 118.7914 65.5918 31.0070 177.4086 18 E 3.7185 7.7839 117.8122 58.1707 29.4190 178.1666 19 A 4.1594 7.5776 120.5453 54.3853 20.0350 177.5169 20 D 4.5786 7.7022 115.9075 51.2381 42.0000 174.9894 21 V 3.3423 7.8633 123.5334 66.2004 31.7237 176.6707 22 A 4.0742 8.0131 119.5382 55.4733 18.1539 179.0198 23 G 4.0756 8.3022 105.3557 47.5349 0.0000 175.1246 24 H 4.0349 8.5920 118.4139 58.1577 28.9165 177.8313 25 G 3.8901 8.2951 107.4125 48.0124 0.0000 174.8489 26 Q 3.8602 8.1778 122.7963 59.8760 28.9254 177.9564 27 D 4.0725 8.8459 117.2773 57.7397 40.8102 179.1218 28 I 3.5719 8.8727 121.0361 65.2237 37.6604 177.7335 29 L 3.2605 8.2629 119.1688 58.1656 41.3042 179.5438 30 I 3.5235 7.9485 119.1546 64.5802 37.1712 178.0974 31 R 3.7771 8.0439 119.5877 59.5671 29.8026 177.8877 32 L 3.8664 8.1909 119.7709 58.3835 41.8998 178.8614 33 F 4.6415 8.0615 116.4725 60.6919 38.8578 177.7053 34 K 4.1286 8.2108 117.3207 59.7005 32.0015 179.4191 35 S 4.2764 7.9685 114.1627 60.2069 63.9097 174.2304 36 H 5.1123 8.7472 119.3077 50.8399 29.0493 171.7622 37 P 4.3220 0.0000 0.0000 65.5376 30.5739 178.0644 38 E 4.1157 8.3363 117.3362 59.8072 29.1931 178.8451 39 T 4.3874 7.6619 109.3950 64.7606 68.7573 175.5438 40 L 3.9316 7.9971 122.3682 57.4611 42.0057 177.8297 41 E 3.7857 7.7012 117.8346 59.7487 29.5194 178.9740 42 K 4.3803 7.9092 115.3750 57.2466 32.3921 176.8211 43 F 4.3769 8.7836 119.7470 55.6253 39.1687 176.2625 44 D 4.3466 8.6803 127.1309 57.3179 40.7729 179.1636 45 R 3.7258 7.7179 113.1201 57.7706 29.6403 176.8501 46 F 5.0557 7.2634 116.0988 57.7237 41.5520 177.4541 47 K 3.9393 8.1449 120.3370 59.8211 31.9495 177.3788 48 H 4.0582 8.4196 112.1017 58.5321 28.1399 174.3543 49 L 3.8484 8.0496 120.6155 55.2335 41.5105 176.8279 50 K 4.1963 9.8390 124.7144 58.0614 32.8833 177.6063 51 T 4.6563 7.5130 107.3914 59.3286 72.9011 174.3663 52 E 3.8834 8.5331 120.2077 59.1472 29.4927 177.8251 53 A 3.9441 8.0696 120.4488 55.3024 18.3803 178.7899 54 E 3.8706 8.4660 116.3224 60.5774 29.4791 179.2838 55 M 3.8660 8.0442 116.5928 59.3047 32.1555 178.7278 56 K 4.7711 8.5587 120.3607 58.9542 32.4026 179.2327 57 A 4.1483 7.9664 120.7882 54.0433 18.4125 178.1288 58 S 4.1409 8.0715 113.3542 58.6539 62.9738 175.0400 59 E 4.0795 8.8543 127.3444 59.1976 29.2691 178.7135 60 D 4.4334 8.1630 118.0626 56.9351 41.2982 177.4694 61 L 3.3987 7.7768 120.6441 58.8465 42.0240 178.1667 62 K 3.5400 7.8912 116.0733 59.8406 31.8106 178.3063 63 K 4.0588 8.7552 117.8447 59.8488 32.5330 178.2000 64 H 4.3993 8.7124 118.9011 59.4574 29.8466 177.2180 65 G 3.6833 8.2952 107.6993 47.9144 0.0000 175.2835 66 V 3.5606 7.7048 120.5226 66.3226 30.9831 177.7185 67 T 3.8797 8.1510 115.2621 67.0027 68.3411 176.2232 68 V 3.6577 7.8120 119.3222 66.3152 31.5138 177.9079 69 L 4.1691 8.5018 118.6860 58.3427 41.5467 179.6238 70 T 3.9863 8.0985 115.0702 66.7620 68.4637 176.2605 71 A 4.0150 7.7287 121.5300 55.2453 18.4363 178.8891 72 L 3.6959 8.1901 118.8867 58.5317 41.9389 179.3483 73 G 3.0182 8.6706 105.0366 47.5793 0.0000 174.8781 74 A 4.0049 7.6132 122.1812 55.1078 18.6985 179.5575 75 I 3.8067 7.6123 117.7636 65.1334 36.7662 177.8467 76 L 3.8739 7.7671 118.8558 57.7900 41.1096 179.5991 77 K 3.8457 8.1242 121.4400 59.5266 32.7136 177.9541 78 K 3.9697 7.8373 116.4057 55.9638 32.3820 176.9400 79 K 2.0000 9.1567 118.9535 56.1948 29.8078 174.9316 80 G 3.9271 7.5896 107.0512 45.7936 0.0000 174.0527 81 H 4.7705 7.5186 118.0348 54.5076 27.7655 175.6229 82 H 4.7427 7.4077 114.1821 55.4189 29.2068 176.2919 83 E 3.8619 8.2415 121.7854 60.0642 28.9599 178.6697 84 A 4.0399 8.0317 120.2544 55.0903 18.5995 179.0432 85 E 4.1244 8.1087 115.8713 59.3300 29.7938 179.1977 86 L 3.9517 7.9307 119.0938 58.3623 41.7000 178.6011 87 K 3.6548 8.0987 117.7093 59.2736 31.8351 176.2507 88 P 4.2016 0.0000 0.0000 66.2322 31.1163 178.1585 89 L 4.1054 7.8087 120.2663 57.2272 42.0506 178.5235 90 A 4.1179 8.3894 121.1574 55.4463 18.3168 179.4439 91 Q 3.8581 8.1695 116.4886 59.1185 28.6543 178.9470 92 S 3.9505 8.3412 115.3800 62.2234 62.8213 176.3350 93 H 4.2077 9.1021 120.9044 57.9014 28.2627 177.8533 94 A 2.9297 8.2188 121.9498 54.9643 18.2284 179.5903 95 T 3.9399 7.6801 105.9995 63.6682 69.2593 174.6651 96 K 4.3725 7.7053 119.6965 58.1453 35.2858 177.9863 97 H 4.0032 7.8826 114.9580 57.5209 28.7536 176.1528 98 K 3.6848 7.0822 113.6029 57.4102 29.5783 176.1394 99 I 4.1041 7.6176 121.0139 59.0936 36.9349 174.5583 100 P 4.3623 0.0000 0.0000 62.5221 31.8322 177.3694 101 I 3.5868 8.6911 122.6574 64.7516 36.8088 178.0572 102 K 3.7016 8.1065 119.6811 59.6257 31.3364 178.3253 103 Y 3.9852 10.7279 116.8468 60.9894 37.8457 177.8372 104 L 4.3597 8.0539 119.4825 57.9358 41.4859 179.1626 105 E 3.9635 8.0981 117.9404 60.1125 29.9439 178.0622 106 F 4.2334 8.8338 116.8735 60.9039 38.7978 177.3733 107 I 3.7840 9.6175 118.2070 64.9710 38.0383 178.1906 108 S 4.1267 8.3280 115.5836 62.7235 62.5761 176.1477 109 E 4.1450 9.4346 122.0883 58.0059 28.9833 178.9953 110 A 3.9033 7.7935 119.9452 55.8256 18.7422 179.0226 111 I 3.9071 8.0172 117.8876 65.5239 37.1919 178.5947 112 I 3.8190 7.8770 120.1634 64.4054 36.9328 178.0595 113 H 4.1259 8.5841 119.5947 59.1925 29.7715 177.0478 114 V 3.5692 8.6755 121.1508 66.2966 31.0486 177.8852 115 L 3.7089 7.7592 117.0114 58.5153 41.6788 178.5324 116 H 4.2507 8.9454 118.4962 58.8165 29.4918 177.8409 117 S 3.9753 8.5696 118.6706 61.3759 63.0365 176.7898 118 R 4.2958 8.0473 117.7845 56.4881 31.5695 177.1503 119 H 4.9105 8.1012 116.4577 52.9953 29.9743 171.7619 120 P 4.0995 0.0000 0.0000 65.7931 31.7247 179.2523 121 G 3.7325 8.0789 107.7929 47.7978 0.0000 174.5629 122 D 4.5291 8.2712 118.9171 56.1821 41.4597 176.6094 123 F 4.6093 7.8142 119.6490 56.3368 39.0958 174.9050 124 G 3.8756 7.4727 109.9591 43.8349 0.0000 170.5336 125 A 3.9070 8.5901 120.8461 55.2643 18.2833 179.4787 126 D 4.2119 8.0323 116.6706 56.7569 39.1965 178.7934 127 A 3.8417 7.5907 122.0962 54.3534 18.3865 178.8369 128 Q 3.6429 7.2877 118.2600 59.3673 28.8937 179.3820 129 G 3.4417 8.0262 106.0563 47.8804 0.0000 174.9536 130 A 3.9461 7.3882 122.4109 55.1484 18.1996 178.9493 131 M 3.8654 8.3738 115.6348 58.9979 32.4022 178.1958 132 N 4.2846 8.2223 116.6577 56.8749 39.1022 176.3792 133 K 3.7482 8.7473 120.2523 59.4233 32.0932 178.6464 134 A 3.7946 8.1977 120.8995 55.4431 18.3279 179.4964 135 L 3.9779 8.2055 117.3143 58.3363 41.3500 179.7630 136 E 4.1682 8.3039 118.1691 59.1618 29.3035 179.2343 137 L 4.0865 7.9732 120.4937 58.2111 42.2057 178.7731 138 F 3.9618 8.0769 120.0860 61.2486 39.2006 177.0350 139 R 3.6792 8.5726 117.9638 59.2565 29.9531 178.4029 140 K 3.7503 9.0898 119.6934 60.2047 32.1547 178.2012 141 D 4.3142 8.0161 118.4614 57.4816 40.8900 179.0296 142 I 3.5029 7.4525 120.0628 63.8099 37.0381 178.2585 143 A 3.8650 8.1851 123.1129 54.5840 18.2484 179.1041 144 A 3.9156 7.8653 119.1181 55.5655 18.3442 179.5804 145 K 3.8653 7.9421 117.4197 60.2452 32.1722 177.9314 146 Y 4.3235 8.1272 116.4117 61.7311 37.7318 178.1674 147 K 3.8502 8.7553 118.1787 60.3214 32.0366 178.7879 148 E 3.8039 8.4918 120.3367 59.1731 30.4381 179.5091 149 L 4.2731 8.2813 119.5451 56.0481 41.7443 178.2207 150 G 3.7110 8.9295 106.8592 45.8436 0.0000 172.3915 151 Y 4.4413 7.6713 117.3382 56.3271 40.7539 174.9912 152 Q 3.8831 8.7900 117.2022 56.1932 24.6225 174.3060 153 G 3.8680 8.1141 108.8694 45.7849 0.0000 170.9685 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 V 8.05 4.14 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 0.92 0.00 0.00 0.94 0.00 0.00 2 L 7.93 3.55 0.00 0.74 1.20 0.81 -0.25 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 3 S 8.35 4.25 0.00 4.09 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 4 E 9.05 4.08 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 5 G 8.17 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.96 3.93 0.00 1.89 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 2.22 2.27 0.00 7 W 8.85 4.18 0.00 3.41 3.08 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 0.00 0.00 0.00 0.00 8 Q 8.07 4.05 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 9 L 7.98 3.98 0.00 2.03 1.71 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.19 3.73 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 1.16 0.00 0.00 0.88 0.00 0.00 11 L 8.95 4.18 0.00 1.82 1.82 0.95 0.75 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 12 H 8.27 4.27 0.00 3.26 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.72 3.60 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.49 0.00 0.00 14 W 8.06 4.29 0.00 3.41 3.08 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 0.00 0.00 0.00 0.00 15 A 8.27 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.58 3.97 0.00 1.86 1.63 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.29 7.81 17 V 7.71 3.04 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 0.09 0.00 0.00 0.63 0.00 0.00 18 E 7.78 3.72 0.00 1.86 1.88 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 2.22 2.09 0.00 19 A 7.58 4.16 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 20 D 7.70 4.58 0.00 2.58 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 21 V 7.86 3.34 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 0.97 0.00 0.00 0.78 0.00 0.00 22 A 8.01 4.07 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 23 G 8.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.59 4.03 0.00 3.31 3.24 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.30 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.18 3.86 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 D 8.85 4.07 0.00 2.75 2.50 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 28 I 8.87 3.57 1.79 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 1.49 0.60 0.85 0.00 0.00 29 L 8.26 3.26 0.00 1.35 0.91 0.78 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.95 3.52 1.96 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 0.65 0.86 0.00 0.00 31 R 8.04 3.78 0.00 1.81 1.99 0.00 3.04 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 32 L 8.19 3.87 0.00 1.72 1.55 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.06 4.64 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 34 K 8.21 4.13 0.00 1.91 1.83 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.77 7.81 35 S 7.97 4.28 0.00 3.63 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.75 5.11 0.00 2.97 2.95 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.32 0.00 2.34 2.33 0.00 3.41 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 38 E 8.34 4.12 0.00 2.44 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 0.00 2.48 2.76 0.00 39 T 7.66 4.39 4.63 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 1.01 0.00 0.00 40 L 8.00 3.93 0.00 1.20 1.75 0.02 0.62 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 E 7.70 3.79 0.00 2.04 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 0.00 2.39 2.48 0.00 42 K 7.91 4.38 0.00 2.34 1.87 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.84 7.81 43 F 8.78 4.38 0.00 3.39 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.35 0.00 2.63 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 45 R 7.72 3.73 0.00 1.71 1.88 0.00 2.84 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 46 F 7.26 5.06 0.00 2.96 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 47 K 8.14 3.94 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.61 7.81 48 H 8.42 4.06 0.00 3.28 3.52 0.00 5.55 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 49 L 8.05 3.85 0.00 1.74 1.65 0.78 0.22 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 50 K 9.84 4.20 0.00 1.76 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.63 1.51 7.81 51 T 7.51 4.66 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 nan 0.00 0.00 52 E 8.53 3.88 0.00 2.08 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 2.35 2.40 0.00 53 A 8.07 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.47 3.87 0.00 2.15 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 0.00 2.35 2.40 0.00 55 M 8.04 3.87 0.00 1.96 2.29 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 2.88 2.61 0.00 56 K 8.56 4.77 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.61 7.81 57 A 7.97 4.15 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 58 S 8.07 4.14 0.00 3.84 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 59 E 8.85 4.08 0.00 2.05 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 2.41 2.32 0.00 60 D 8.16 4.43 0.00 2.89 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 61 L 7.78 3.40 0.00 1.75 1.52 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 3.54 0.00 1.85 1.68 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.48 7.81 63 K 8.76 4.06 0.00 2.12 1.96 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.70 7.81 64 H 8.71 4.40 0.00 3.67 3.50 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.30 3.68 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 0.00 0.00 0.00 66 V 7.70 3.56 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 1.03 0.00 0.00 0.92 0.00 0.00 67 T 8.15 3.88 4.41 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 1.30 0.00 0.00 68 V 7.81 3.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 69 L 8.50 4.17 0.00 1.81 1.70 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.10 3.99 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 71 A 7.73 4.01 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 72 L 8.19 3.70 0.00 1.79 1.98 0.25 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.67 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 0.00 0.00 0.00 74 A 7.61 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.61 3.81 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 1.07 0.00 0.00 76 L 7.77 3.87 0.00 1.27 1.35 -0.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.12 3.85 0.00 1.66 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.26 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.49 1.61 7.81 78 K 7.84 3.97 0.00 2.03 1.89 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.44 7.81 79 K 9.16 2.00 0.00 0.97 0.74 0.00 1.50 0.00 0.00 1.40 0.00 0.00 2.66 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.75 0.88 7.81 80 G 7.59 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 81 H 7.52 4.77 0.00 3.08 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.41 4.74 0.00 3.38 3.56 0.00 5.52 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.24 3.86 0.00 2.21 2.34 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 2.38 2.37 0.00 84 A 8.03 4.04 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 85 E 8.11 4.12 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 86 L 7.93 3.95 0.00 1.70 1.66 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.10 3.65 0.00 1.86 1.74 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.54 7.81 88 P 0.00 4.20 0.00 2.40 2.35 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 89 L 7.81 4.11 0.00 2.12 2.00 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.39 4.12 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.17 3.86 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 92 S 8.34 3.95 0.00 3.90 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 0.00 93 H 9.10 4.21 0.00 3.42 3.54 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.22 2.93 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.68 3.94 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 1.06 0.00 0.00 96 K 7.71 4.37 0.00 1.58 1.62 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.26 1.27 7.81 97 H 7.88 4.00 0.00 3.09 3.19 0.00 5.83 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 98 K 7.08 3.68 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 99 I 7.62 4.10 2.05 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 1.52 0.99 1.10 0.00 0.00 100 P 0.00 4.36 0.00 2.02 2.04 0.00 2.48 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 0.73 1.72 0.00 101 I 8.69 3.59 1.83 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.10 0.80 0.00 0.00 102 K 8.11 3.70 0.00 1.79 1.85 0.00 1.18 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 0.79 7.81 103 Y 10.73 3.99 0.00 3.29 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 0.00 104 L 8.05 4.36 0.00 1.97 1.84 0.75 0.98 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 0.00 105 E 8.10 3.96 0.00 2.00 1.98 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 2.41 2.46 0.00 106 F 8.83 4.23 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 9.62 3.78 1.99 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 1.54 1.57 1.10 0.00 0.00 108 S 8.33 4.13 0.00 4.22 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 0.00 109 E 9.43 4.15 0.00 2.24 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 110 A 7.79 3.90 1.40 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 0.00 0.00 111 I 8.02 3.91 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 0.96 0.00 0.00 112 I 7.88 3.82 2.06 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 1.59 0.91 1.08 0.00 0.00 113 H 8.58 4.13 0.00 3.24 3.39 0.00 5.81 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 0.00 114 V 8.68 3.57 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 0.80 0.00 0.00 0.91 0.00 0.00 115 L 7.76 3.71 0.00 1.35 0.39 0.68 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.95 4.25 0.00 3.46 3.34 0.00 5.81 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 0.00 117 S 8.57 3.98 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.05 4.30 0.00 1.84 1.74 0.00 3.10 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 119 H 8.10 4.91 0.00 3.21 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.10 0.00 2.13 2.14 0.00 3.47 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 121 G 8.08 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.27 4.53 0.00 2.81 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 0.00 123 F 7.81 4.61 0.00 2.95 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 0.00 124 G 7.47 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 0.00 0.00 0.00 125 A 8.59 3.91 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 0.00 126 D 8.03 4.21 0.00 2.85 2.89 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 0.00 0.00 0.00 127 A 7.59 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.29 3.64 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 129 G 8.03 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.39 3.95 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 0.00 131 M 8.37 3.87 0.00 2.50 2.39 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.94 0.00 132 N 8.22 4.28 0.00 2.94 2.97 0.00 0.00 7.30 5.99 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 0.00 133 K 8.75 3.75 0.00 1.79 1.65 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.49 7.81 134 A 8.20 3.79 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 0.00 135 L 8.21 3.98 0.00 1.92 1.78 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.30 4.17 0.00 2.17 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 2.37 2.51 0.00 137 L 7.97 4.09 0.00 1.84 1.89 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.08 3.96 0.00 3.12 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 0.00 139 R 8.57 3.68 0.00 1.95 1.94 0.00 3.24 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 140 K 9.09 3.75 0.00 1.96 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 141 D 8.02 4.31 0.00 2.61 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 0.00 142 I 7.45 3.50 1.59 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.26 0.00 0.00 143 A 8.19 3.87 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 0.00 144 A 7.87 3.92 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 0.00 145 K 7.94 3.87 0.00 2.07 2.04 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 146 Y 8.13 4.32 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.76 3.85 0.00 1.91 2.04 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 148 E 8.49 3.80 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 149 L 8.28 4.27 0.00 2.06 1.99 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.93 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.67 4.44 0.00 2.45 2.61 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 0.00 152 Q 8.79 3.88 0.00 2.35 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 153 G 8.11 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00