NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2058 8.3149 120.0006 58.0644 33.7858 175.8014 6 C 3.8945 9.1450 115.6186 57.4607 37.8873 172.1310 7 N 4.5090 8.9823 119.3956 53.6446 39.2355 175.1288 8 L 4.3023 8.3935 122.9758 56.5323 42.2761 177.5984 9 Q 4.1296 7.7313 117.2443 57.0259 29.6666 176.9282 10 G 3.6747 9.0627 106.2022 44.1854 0.0000 171.8827 11 Q 5.0318 7.8638 117.5098 54.2598 30.8254 175.3803 12 W 5.5076 9.1692 121.6728 55.0752 34.1288 174.2414 13 R 5.8403 9.8098 118.1168 53.6197 32.8694 174.3092 14 N 5.7829 8.3427 117.7170 50.2898 40.1510 175.4236 15 K 4.1159 8.5644 117.0494 58.9864 32.2184 178.6284 16 L 4.0983 7.8024 117.6193 56.0134 41.6910 178.0429 17 G 4.0312 8.2050 106.6669 44.7491 0.0000 173.9371 18 S 4.5946 8.0911 115.6858 58.5837 64.6274 172.4571 19 N 5.2961 9.0418 121.4079 51.8230 41.2539 172.7507 20 L 4.7365 8.8463 128.7926 53.2651 44.5487 174.8796 21 I 4.9197 8.6672 126.8436 59.5985 40.6719 174.2999 22 I 4.3839 8.5098 128.4183 59.7419 38.3333 176.1930 23 E 4.3063 9.2733 129.9895 58.7089 30.3663 176.5036 24 S 4.6906 7.5949 110.9555 57.3263 66.1977 174.1064 25 V 4.8865 8.2910 120.6063 61.5047 33.9922 175.1854 26 S 4.8896 9.1887 124.3229 56.8705 64.8160 175.4105 27 Q 4.0375 8.8248 119.1718 58.7405 28.3677 176.8674 28 N 4.6552 8.2430 114.4685 52.6337 37.8719 175.8350 29 G 4.2458 8.5693 108.9023 46.3887 0.0000 173.2590 30 E 4.4347 8.6539 122.2818 56.1737 30.7813 175.6086 31 F 5.7309 8.5958 120.5999 54.3743 42.0315 173.2728 32 T 4.9379 8.5223 113.0853 60.5742 71.4846 173.6122 33 G 3.7993 7.4757 110.4313 46.2080 0.0000 171.9315 34 T 5.2408 7.9047 109.5246 60.2007 72.9851 172.5192 35 Y 4.9732 9.3898 123.2764 55.8312 42.5236 173.7897 36 F 4.9043 9.1215 129.0400 56.6299 41.5871 173.9910 37 T 4.7561 8.4802 121.0602 61.7312 68.0553 174.8066 38 S 4.5943 8.6755 123.3157 59.7137 63.4695 174.7024 39 V 4.5490 7.4624 112.3785 59.6501 35.0988 174.4532 40 S 4.5112 7.9750 115.1174 56.9635 65.8399 174.2556 41 L 4.0507 8.3468 120.6445 56.8580 41.5714 176.8640 42 T 4.6992 7.5229 107.0664 60.0639 71.2862 173.2398 43 N 4.7344 8.4627 117.2537 53.3630 38.9516 175.8339 44 S 4.3080 7.3978 113.9782 58.3724 63.4646 174.3017 45 T 3.8906 8.2369 120.0624 63.4109 68.5727 174.7544 46 I 2.2723 7.8687 127.8210 60.7755 37.6911 175.6672 47 R 4.8188 7.3898 122.2933 53.8073 33.7379 175.1859 48 I 4.2235 8.7746 121.0507 62.6946 37.7997 175.5093 49 S 5.0407 9.2831 121.8199 55.9627 66.9171 171.9958 50 P 5.0738 0.0000 0.0000 62.6624 33.0510 174.8418 51 L 5.7130 8.6302 120.0285 53.5667 44.3885 175.0235 52 T 4.6811 8.0673 113.6722 61.0051 71.3486 173.1919 53 G 4.0255 7.4698 112.1001 46.2389 0.0000 171.3513 54 Y 5.5818 8.3453 116.2931 56.3124 42.5199 174.6934 55 Q 5.5035 9.4875 120.5711 54.0918 32.1468 175.0394 56 K 4.1358 8.9063 120.9626 56.0695 32.6845 178.0408 57 L 4.5173 8.1109 125.6437 54.4622 41.1916 174.8221 58 T 4.6365 7.1018 109.4148 58.9687 72.2012 173.4964 59 E 4.0440 8.5623 122.0727 57.4168 30.5603 176.3503 60 K 4.2189 8.8507 121.6428 55.6603 29.5488 173.2520 61 P 4.6396 0.0000 0.0000 62.4358 33.1141 177.9968 62 T 4.6975 8.5399 113.2574 61.9030 70.8556 173.0127 63 F 5.4781 8.1940 116.7318 56.7159 41.9435 172.7848 64 G 4.8752 9.5854 105.4868 45.4565 0.0000 171.9304 65 F 5.4926 9.0307 115.8464 55.9301 42.1791 172.9036 66 T 5.1212 9.0128 116.0598 61.8204 71.4666 173.2897 67 V 4.3767 8.8087 125.9635 61.5629 33.5793 174.4235 68 H 4.8263 8.4472 129.3698 53.8946 28.5107 173.1399 69 W 4.3892 7.7362 118.7672 56.7656 29.2229 175.9848 70 A 4.3107 9.3018 127.2870 53.0511 18.4268 177.5497 71 F 4.9905 7.3606 108.4494 55.8690 39.0467 174.0455 72 S 4.5104 7.2021 114.3576 57.9865 65.5556 173.0747 73 D 4.7401 8.3969 117.5112 54.5154 40.3179 177.0241 74 S 4.8598 7.6872 116.5121 58.1171 64.9639 173.1602 75 I 4.9990 8.6842 120.8924 60.0863 41.4238 174.8006 76 T 5.0759 8.3936 121.0528 61.8312 72.3243 173.3545 77 V 4.9660 8.4593 117.8852 59.3807 35.2604 174.7501 78 W 5.3604 8.8048 123.0600 55.2355 32.8542 174.4438 79 T 4.8778 8.8640 116.9315 60.9583 70.9379 173.5061 80 G 4.2183 7.2881 111.8485 46.3026 0.0000 171.5644 81 Q 5.0017 8.3172 119.8569 54.5779 33.3395 174.1037 82 C 5.3743 8.9956 125.3833 55.5914 45.8538 172.3881 83 F 5.4342 9.1764 123.1161 55.8450 43.6613 173.3090 84 L 5.1615 8.6240 120.2010 53.4579 43.1116 177.3140 85 N 4.7745 9.0752 122.2469 52.0318 39.1117 175.1062 86 E 3.9647 8.9053 116.6708 60.0310 29.3990 178.7134 87 K 4.0958 8.1412 115.0386 57.1125 32.3883 177.6476 88 G 3.9196 8.2963 107.1935 45.8383 0.0000 172.9899 89 E 4.6413 8.6023 119.2876 54.5736 31.4743 175.7144 90 E 4.7993 8.7807 123.0216 56.6829 30.6554 176.2321 91 I 5.0032 9.1593 123.5612 59.5073 42.1237 173.4850 92 L 5.1621 9.1835 129.6731 53.6463 43.7290 175.0444 93 H 5.3663 9.2718 122.6610 54.8823 30.4126 174.7293 94 T 5.3952 9.1787 112.8893 60.4022 72.7938 172.6713 95 M 5.4016 9.1404 121.7858 53.3725 36.0798 174.7825 96 W 5.3699 8.5137 117.6495 54.6726 32.3933 173.8042 97 L 5.2335 8.6695 120.4837 52.9312 44.6853 175.1834 98 L 4.9031 9.2786 126.5870 53.4013 44.2640 174.8405 99 R 4.9548 9.1807 128.8289 55.2827 31.3636 175.2518 100 S 5.0423 8.6960 121.8222 56.6513 65.3482 173.8144 101 S 4.3100 8.5097 117.1070 58.3242 62.5581 173.4100 102 Q 4.5548 8.4933 126.1424 54.4053 30.3409 175.8489 103 E 4.1691 8.6260 120.6329 58.6539 30.0632 177.5727 104 K 4.6658 7.5358 115.8529 54.5896 35.9321 176.3397 105 E 3.8812 9.0214 121.4584 59.7158 29.5427 179.2190 106 Q 4.1579 8.1829 116.1752 58.3792 29.0484 176.6956 107 D 4.7119 8.3215 116.5474 53.7372 41.5414 177.4653 108 N 4.2213 8.1971 120.9967 56.3586 38.9649 176.9370 109 W 4.3035 8.2901 113.9815 59.1943 28.0925 176.6278 110 T 3.5625 6.7921 107.4721 61.8924 68.5813 175.3176 111 G 3.8040 8.0237 111.4079 46.0064 0.0000 173.1002 112 T 4.9911 7.5438 116.1974 61.8480 71.3371 173.6714 113 R 4.8168 9.1090 126.1478 54.6595 32.9422 175.8047 114 V 4.2999 7.6204 119.5046 60.1777 34.8426 174.4757 115 G 3.1677 6.1372 106.9492 45.7674 0.0000 171.5963 116 A 5.3421 8.4538 120.9344 50.2417 21.6206 176.0036 117 N 5.2976 9.3683 116.4195 51.8554 43.6896 173.7051 118 T 5.1174 8.4240 117.7510 62.0155 71.7471 172.7458 119 F 5.5564 9.3755 125.9950 56.1139 41.7008 175.1386 120 T 5.4581 9.2464 112.3390 59.9172 72.8266 173.2786 121 R 4.1806 8.5416 120.3215 55.5781 31.0613 176.9309 122 L 4.0341 8.1929 122.0122 54.9206 42.2218 177.3999 123 S 4.2996 8.5925 117.1637 58.4107 62.3498 173.4727 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 5 K 8.31 4.21 0.00 1.93 1.91 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 6 C 9.15 3.89 0.00 3.20 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 7 N 8.98 4.51 0.00 2.70 2.95 0.00 0.00 7.15 7.85 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 8 L 8.39 4.30 0.00 1.32 1.13 0.29 0.55 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 9 Q 7.73 4.13 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 10 G 9.06 3.67 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 0.00 0.00 0.00 11 Q 7.86 5.03 0.00 1.76 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 12 W 9.17 5.51 0.00 3.12 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 13 R 9.81 5.84 0.00 1.86 2.04 0.00 3.04 0.00 0.00 3.35 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 14 N 8.34 5.78 0.00 2.44 1.65 0.00 0.00 6.75 7.17 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 15 K 8.56 4.12 0.00 1.80 1.95 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.48 7.81 16 L 7.80 4.10 0.00 1.92 1.79 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.20 4.03 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 0.00 0.00 0.00 18 S 8.09 4.59 0.00 4.08 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 19 N 9.04 5.30 0.00 2.83 2.66 0.00 0.00 6.90 7.40 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 20 L 8.85 4.74 0.00 1.40 1.34 0.29 -0.12 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 21 I 8.67 4.92 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.86 0.00 0.00 22 I 8.51 4.38 1.89 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 0.73 0.27 0.61 0.00 0.00 23 E 9.27 4.31 0.00 1.90 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 0.00 2.28 2.28 0.00 24 S 7.59 4.69 0.00 3.89 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 25 V 8.29 4.89 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 0.93 0.00 0.00 0.92 0.00 0.00 26 S 9.19 4.89 0.00 3.95 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 27 Q 8.82 4.04 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 28 N 8.24 4.66 0.00 2.91 3.01 0.00 0.00 6.27 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 29 G 8.57 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.65 4.43 0.00 2.19 1.84 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 2.06 1.75 0.00 31 F 8.60 5.73 0.00 3.12 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 32 T 8.52 4.94 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 33 G 7.48 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.90 5.24 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 35 Y 9.39 4.97 0.00 2.89 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 36 F 9.12 4.90 0.00 3.22 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 37 T 8.48 4.76 4.76 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 1.12 0.00 0.00 38 S 8.68 4.59 0.00 4.09 3.96 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 0.00 0.00 0.00 39 V 7.46 4.55 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 0.92 0.00 0.00 40 S 7.98 4.51 0.00 3.94 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 41 L 8.35 4.05 0.00 1.58 1.71 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.52 4.70 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 1.19 0.00 0.00 43 N 8.46 4.73 0.00 2.72 2.87 0.00 0.00 6.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.40 4.31 0.00 4.04 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 45 T 8.24 3.89 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 1.19 0.00 0.00 46 I 7.87 2.27 1.46 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.09 -0.07 0.00 0.00 47 R 7.39 4.82 0.00 1.96 1.91 0.00 3.36 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 48 I 8.77 4.22 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.88 1.05 0.00 0.00 49 S 9.28 5.04 0.00 3.77 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 50 P 0.00 5.07 0.00 2.10 2.16 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 51 L 8.63 5.71 0.00 1.90 1.68 0.75 0.07 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 52 T 8.07 4.68 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 1.10 0.00 0.00 53 G 7.47 4.03 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 0.00 0.00 0.00 54 Y 8.35 5.58 0.00 2.85 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 55 Q 9.49 5.50 0.00 2.35 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 56 K 8.91 4.14 0.00 1.83 1.82 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.49 7.81 57 L 8.11 4.52 0.00 1.66 1.67 1.04 0.86 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 58 T 7.10 4.64 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 E 8.56 4.04 0.00 1.97 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 2.32 2.36 0.00 60 K 8.85 4.22 0.00 1.82 1.49 0.00 1.97 0.00 0.00 2.61 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 61 P 0.00 4.64 0.00 2.21 2.30 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 62 T 8.54 4.70 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 1.15 0.00 0.00 63 F 8.19 5.48 0.00 3.66 3.34 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 64 G 9.59 4.88 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 65 F 9.03 5.49 0.00 3.17 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 66 T 9.01 5.12 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 1.22 0.00 0.00 67 V 8.81 4.38 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 -0.51 0.00 0.00 0.67 0.00 0.00 68 H 8.45 4.83 0.00 3.07 3.12 0.00 6.02 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 7.74 4.39 0.00 2.97 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 0.00 0.00 0.00 0.00 70 A 9.30 4.31 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 71 F 7.36 4.99 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 72 S 7.20 4.51 0.00 3.79 3.54 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 0.00 73 D 8.40 4.74 0.00 2.66 2.71 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 74 S 7.69 4.86 0.00 3.69 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 75 I 8.68 5.00 1.89 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 1.25 0.91 0.88 0.00 0.00 76 T 8.39 5.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 77 V 8.46 4.97 2.05 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 0.77 0.00 0.00 0.93 0.00 0.00 78 W 8.80 5.36 0.00 2.08 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 79 T 8.86 4.88 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 1.17 0.00 0.00 80 G 7.29 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 0.00 0.00 0.00 0.00 81 Q 8.32 5.00 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.79 0.00 0.00 0.00 0.00 0.00 1.33 2.13 0.00 82 C 9.00 5.37 0.00 3.04 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 83 F 9.18 5.43 0.00 3.07 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 84 L 8.62 5.16 0.00 1.62 1.68 0.98 1.13 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 85 N 9.08 4.77 0.00 2.99 3.08 0.00 0.00 6.59 7.39 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 86 E 8.91 3.96 0.00 2.00 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 2.34 2.37 0.00 87 K 8.14 4.10 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 88 G 8.30 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 0.00 0.00 0.00 89 E 8.60 4.64 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 90 E 8.78 4.80 0.00 2.11 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 0.00 2.53 2.39 0.00 91 I 9.16 5.00 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.70 1.11 0.00 0.00 92 L 9.18 5.16 0.00 1.75 1.76 -0.77 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.27 5.37 0.00 3.39 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 9.18 5.40 4.73 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 1.80 0.00 0.00 95 M 9.14 5.40 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 96 W 8.51 5.37 0.00 2.48 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 0.00 0.00 0.00 97 L 8.67 5.23 0.00 1.55 1.56 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.28 4.90 0.00 1.67 1.79 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 99 R 9.18 4.95 0.00 1.92 1.90 0.00 3.33 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 100 S 8.70 5.04 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.51 4.31 0.00 4.05 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 0.00 102 Q 8.49 4.55 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 103 E 8.63 4.17 0.00 1.94 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 2.28 2.21 0.00 104 K 7.54 4.67 0.00 2.06 1.84 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.42 7.81 105 E 9.02 3.88 0.00 2.03 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 2.38 0.00 106 Q 8.18 4.16 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 107 D 8.32 4.71 0.00 2.75 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.20 4.22 0.00 2.91 2.92 0.00 0.00 6.93 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 0.00 109 W 8.29 4.30 0.00 3.56 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.79 3.56 3.59 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 -0.82 0.00 0.00 111 G 8.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.54 4.99 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 1.20 0.00 0.00 113 R 9.11 4.82 0.00 1.97 2.03 0.00 3.12 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 114 V 7.62 4.30 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.67 0.00 0.00 115 G 6.14 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 0.00 116 A 8.45 5.34 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 0.00 117 N 9.37 5.30 0.00 3.30 2.51 0.00 0.00 6.90 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 0.00 118 T 8.42 5.12 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 1.30 0.00 0.00 119 F 9.38 5.56 0.00 2.80 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 0.00 120 T 9.25 5.46 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 1.36 0.00 0.00 121 R 8.54 4.18 0.00 1.59 1.66 0.00 2.69 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.27 0.00 122 L 8.19 4.03 0.00 1.53 1.57 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.59 4.30 0.00 3.82 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