NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.9605 0.0000 0.0000 62.5767 33.7632 173.8558 2 V 4.7509 8.2985 119.1723 59.8134 33.9670 173.6181 3 Q 4.6935 9.3964 126.1535 54.7715 32.2761 173.8241 4 H 4.3539 8.6105 119.6345 55.3221 31.0498 171.8288 5 V 3.9683 8.5762 123.9371 63.3806 34.0562 175.7287 6 G 3.7257 7.8721 108.3001 45.8075 0.0000 174.6381 7 G 3.9968 7.9876 104.3745 45.6983 0.0000 173.3591 8 T 4.5891 7.0559 109.5947 59.7123 71.6297 172.8550 9 Y 4.8937 8.4137 122.2377 57.6224 38.9608 174.8276 10 T 4.7889 8.8645 113.6788 59.9065 73.0637 172.6185 11 H 4.9163 8.7743 122.1653 56.2827 30.7897 174.1624 12 I 4.5281 8.0706 124.5514 58.4068 40.4473 173.5247 13 P 4.5027 0.0000 0.0000 61.8914 31.9923 176.1154 14 L 4.0150 8.4570 120.4564 55.1949 42.2056 178.4213 15 S 4.3272 8.4933 117.4218 57.8177 64.9672 173.6256 16 P 4.2512 0.0000 0.0000 66.0427 31.0985 179.1790 17 R 3.9795 7.9872 116.2413 59.4675 29.8674 179.0746 18 T 3.8649 7.8396 115.2131 66.6926 68.4798 176.5248 19 L 4.0915 8.1426 122.2659 58.3030 42.0813 178.7531 20 N 4.3832 8.7359 116.7033 55.9725 38.4031 177.2472 21 A 4.0568 8.2061 122.6461 54.6894 18.3512 179.5088 22 W 4.2355 8.1007 126.9729 60.6779 30.8501 178.2889 23 V 3.2673 7.9593 118.2820 65.8823 30.8521 177.8539 24 K 3.8374 8.3601 119.6210 59.3050 31.9282 178.7499 25 L 3.7400 7.5814 119.1813 57.6724 41.3405 179.5656 26 V 2.6750 6.8365 116.7928 65.9143 31.4409 177.7352 27 E 3.9770 8.0479 117.0029 58.5384 29.2805 178.5576 28 E 4.3881 7.9002 117.8284 57.0316 30.3260 176.7261 29 K 4.1629 7.5232 119.9292 55.1937 32.4930 178.5485 30 K 4.1874 8.3412 127.8963 56.2575 30.2518 177.2308 31 F 3.5491 7.1114 112.5724 58.1947 37.0317 176.5759 32 G 3.7059 7.2103 108.8665 44.7646 0.0000 175.2608 33 A 4.0801 8.6394 120.9742 54.9553 18.0057 179.3921 34 E 4.1053 8.2635 115.1423 58.7894 29.3932 179.2180 35 V 3.6639 7.7666 114.1855 64.7027 31.5207 178.2846 36 V 3.7334 7.8459 117.8291 65.5132 31.4089 176.3168 37 P 4.4288 0.0000 0.0000 65.7592 31.1615 178.4380 38 G 3.7333 8.5267 105.8050 47.6293 0.0000 175.3738 39 F 3.6125 8.7452 123.6048 60.7069 39.1266 176.7336 40 Q 3.7147 7.9656 117.6850 59.1549 28.9929 178.1001 41 A 4.0510 8.0618 121.5958 55.2832 18.3241 179.4599 42 L 4.0346 7.6689 115.2006 56.4043 42.1272 178.5797 43 S 4.1414 7.2638 113.3014 56.9486 63.3664 173.7678 44 E 3.9169 7.0050 123.1012 58.3428 29.6958 177.5047 45 G 3.9278 8.8236 109.9224 46.0396 0.0000 173.0876 46 C 4.5894 7.7336 118.0903 59.3274 29.1122 173.6002 47 T 4.6616 8.6929 113.7069 60.3156 71.0127 174.1865 48 P 4.5266 0.0000 0.0000 66.1148 31.2792 178.1225 49 Y 4.1051 8.1653 117.6456 60.9618 38.6930 177.9285 50 D 4.2365 8.1265 119.1478 57.4404 40.9294 178.8470 51 I 3.6910 7.8425 120.2918 64.4551 36.8423 178.2737 52 N 4.4757 8.4335 116.8684 56.2473 38.5768 177.2230 53 Q 4.2319 7.7613 119.6453 59.2674 29.1333 178.5739 54 M 4.2801 8.1319 119.6167 58.2437 31.9562 178.1841 55 L 4.4294 8.0028 117.6715 56.1217 41.7721 178.6630 56 N 4.4216 7.9472 117.2007 56.4771 38.8721 176.6211 57 C 4.3478 8.2090 115.3682 61.1732 29.7971 175.9500 58 V 3.9904 7.5655 120.3147 65.6322 30.9089 177.9304 59 G 3.7154 8.0282 104.3068 46.8806 0.0000 174.7936 60 D 4.6331 7.9778 119.9129 55.6720 42.2356 176.2696 61 H 4.9524 8.1759 117.1327 52.9087 29.1956 173.8101 62 Q 3.9751 8.2413 121.8980 58.5421 28.7746 177.8894 63 A 3.9400 8.1085 121.2417 55.2550 18.3165 179.3881 64 A 3.7584 7.9757 118.5084 55.4346 18.4217 179.2687 65 M 3.9593 8.2596 116.9543 58.9056 32.2910 178.4294 66 Q 4.0148 8.4533 118.5249 58.9444 28.9492 178.7974 67 I 3.6862 7.4650 120.8435 64.4823 37.0994 178.5357 68 I 3.6764 7.9105 120.6581 64.4208 36.8838 178.3823 69 R 3.9112 8.4420 119.9139 59.5005 29.8725 178.0840 70 E 3.9022 8.2636 118.9883 59.3470 29.5332 178.9251 71 I 3.6810 7.6421 119.3487 64.2961 37.1183 178.2885 72 I 3.7737 8.0724 120.9931 64.6402 37.0206 178.1673 73 N 4.2882 8.3655 117.2416 56.2939 38.3828 177.2854 74 E 3.8647 8.1045 119.8269 59.5560 29.5025 179.4024 75 E 3.5079 8.0290 118.5469 58.9258 29.2432 179.2400 76 A 3.7170 7.5756 120.9977 54.9070 18.4003 179.6104 77 A 3.9141 7.8837 119.2709 55.3015 18.4814 179.5492 78 E 3.8505 8.1900 117.9229 58.8623 29.4570 178.4737 79 W 4.2171 8.1526 127.8930 60.9552 30.9024 177.4057 80 D 4.5737 8.3787 118.5360 57.3288 39.9988 178.9063 81 V 3.5710 7.6028 118.0478 66.0144 31.6353 177.6166 82 Q 4.0841 7.8512 115.4697 56.8930 30.0550 175.9330 83 H 4.6817 7.2092 116.1927 53.0051 29.0670 171.3915 84 P 4.3451 0.0000 0.0000 62.3035 32.3479 177.2585 85 I 3.9270 8.1914 122.7933 60.7657 37.4548 174.4538 86 P 4.2459 0.0000 0.0000 63.1646 31.8593 177.5721 87 G 3.8155 7.9950 106.7267 44.6077 0.0000 170.3581 88 P 4.5067 0.0000 0.0000 61.5771 32.0568 175.8302 89 L 4.2430 8.1821 121.7231 53.7745 42.7279 174.7408 90 P 4.2590 0.0000 0.0000 62.2739 31.9329 175.4260 91 A 4.0779 8.5729 123.7848 54.2598 18.3466 178.4065 92 G 3.9424 8.9197 110.6097 45.4879 0.0000 173.1305 93 Q 4.2854 7.7632 121.1280 54.5866 29.9325 175.0446 94 L 4.1438 8.3769 127.3635 54.4656 42.7579 176.8749 95 R 4.2446 8.5694 122.3766 56.0093 30.0698 176.2777 96 E 4.2108 8.5776 119.1684 55.5390 30.1574 175.1621 97 P 3.8068 0.0000 0.0000 62.4032 31.9943 177.2762 98 R 4.6137 8.9548 122.5268 54.8532 32.6443 177.8305 99 G 3.8159 9.6034 107.1314 48.3658 0.0000 176.1794 100 S 4.2304 8.0674 115.8596 61.0443 63.1443 176.2268 101 D 4.3887 7.8109 122.4088 57.2360 40.4215 178.4301 102 I 3.2530 7.1869 119.1558 63.9978 37.1071 177.8121 103 A 2.5800 7.6071 118.8760 51.7383 18.2377 178.1794 104 G 3.8937 7.3137 105.1781 45.8374 0.0000 175.0999 105 T 4.1863 7.8865 111.7507 63.2261 69.2099 175.6434 106 T 4.6689 7.9338 109.1074 60.7117 69.3067 173.2919 107 S 4.9973 7.7596 116.1047 56.3989 66.2085 173.5016 108 T 4.2610 8.6422 113.2607 60.9432 71.1506 176.4562 109 V 3.5746 7.9493 121.7692 64.8712 31.3210 178.3288 110 E 3.8768 7.9458 118.8569 59.2388 29.2876 178.8907 111 E 3.3463 8.0553 118.5651 59.1541 29.3924 179.2717 112 Q 4.2609 8.0191 118.1265 59.3473 28.8583 179.2769 113 I 3.8581 8.0919 121.0078 64.3175 37.0812 178.2239 114 Q 3.9306 8.0814 120.5176 59.1114 28.7680 178.5732 115 W 4.3584 8.0221 119.9897 60.0951 28.8318 178.5131 116 M 4.0860 8.1358 117.9567 57.2706 31.4226 177.1436 117 F 4.4629 7.8026 114.0085 56.3217 40.6074 175.4663 118 R 4.1867 7.9632 118.1008 55.4591 29.6429 175.3031 119 P 4.3719 0.0000 0.0000 64.5230 31.8473 176.0666 120 Q 4.4466 7.9524 119.8387 55.2102 31.1300 174.8509 121 N 4.1751 8.9661 123.5618 53.3927 36.0212 172.4348 122 P 4.4919 0.0000 0.0000 62.9740 32.3260 176.3782 123 V 4.3041 8.3321 119.9245 60.3139 33.8441 175.6402 124 P 4.4899 0.0000 0.0000 62.1768 28.2341 177.0706 125 V 3.4379 7.5656 117.8972 64.6725 31.9199 178.2001 126 G 3.8686 7.7995 106.6573 47.4852 0.0000 175.4336 127 N 4.3100 7.9403 118.5517 55.6076 38.6977 177.6307 128 I 3.5413 7.5712 121.5431 64.3734 37.0658 177.7876 129 Y 3.4168 7.4708 120.2857 60.4656 38.4651 178.0937 130 R 3.9540 8.1578 119.2946 59.2519 30.1221 179.1975 131 R 3.9794 7.8178 117.3796 59.1189 30.1375 179.0234 132 W 4.4540 7.9698 118.1481 60.0589 29.0852 178.6295 133 I 3.5429 7.9642 119.8095 64.2357 36.3594 178.1784 134 Q 3.9285 8.2883 120.5381 59.2267 28.8616 178.3357 135 I 3.9579 7.9987 120.8856 64.5234 37.1220 178.5835 136 G 3.5930 8.0139 106.2282 47.8679 0.0000 175.7481 137 L 4.0319 8.3334 122.0677 57.5148 41.7112 179.5121 138 Q 4.0228 8.4997 118.4898 58.9477 28.6704 178.9788 139 K 3.9830 8.1189 120.5678 59.6293 32.2396 178.5745 140 C 4.1192 8.2422 117.2739 62.7941 27.7738 176.2836 141 V 3.9157 7.6316 120.0322 65.6877 31.2799 178.0449 142 R 4.1734 7.8791 115.4831 58.2315 30.1172 177.7195 143 M 4.4576 7.7889 116.5682 55.7020 32.9158 175.5495 144 Y 4.0349 8.0782 121.6157 58.1812 38.0399 175.4400 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 P 0.00 4.96 0.00 2.01 2.09 0.00 4.15 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.80 0.00 2 V 8.30 4.75 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 0.63 0.00 0.00 1.12 0.00 0.00 3 Q 9.40 4.69 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.22 0.00 4 H 8.61 4.35 0.00 2.81 3.06 0.00 5.70 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.58 3.97 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 0.76 0.00 0.00 0.86 0.00 0.00 6 G 7.87 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 7 G 7.99 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 0.00 0.00 0.00 8 T 7.06 4.59 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 9 Y 8.41 4.89 0.00 2.76 2.60 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 0.00 0.00 0.00 0.00 10 T 8.86 4.79 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 11 H 8.77 4.92 0.00 3.12 3.22 0.00 5.87 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 12 I 8.07 4.53 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.91 0.00 0.00 13 P 0.00 4.50 0.00 2.12 2.07 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 14 L 8.46 4.02 0.00 1.64 1.63 0.87 0.84 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 15 S 8.49 4.33 0.00 4.05 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 16 P 0.00 4.25 0.00 2.19 2.17 0.00 3.61 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 2.13 2.20 0.00 17 R 7.99 3.98 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 18 T 7.84 3.86 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 1.20 0.00 0.00 19 L 8.14 4.09 0.00 1.72 1.84 0.99 0.71 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 20 N 8.74 4.38 0.00 2.91 2.86 0.00 0.00 6.87 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.21 4.06 1.44 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 22 W 8.10 4.24 0.00 3.36 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 23 V 7.96 3.27 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 0.94 0.00 0.00 1.03 0.00 0.00 24 K 8.36 3.84 0.00 1.87 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.52 7.81 25 L 7.58 3.74 0.00 1.55 1.38 1.06 0.78 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 26 V 6.84 2.67 1.54 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 0.52 0.00 0.00 -0.61 0.00 0.00 27 E 8.05 3.98 0.00 1.84 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 2.41 2.44 0.00 28 E 7.90 4.39 0.00 1.95 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 2.23 2.35 0.00 29 K 7.52 4.16 0.00 1.58 1.65 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.59 7.81 30 K 8.34 4.19 0.00 1.89 1.90 0.00 1.87 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.43 7.81 31 F 7.11 3.55 0.00 2.43 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 32 G 7.21 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 33 A 8.64 4.08 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 34 E 8.26 4.11 0.00 2.18 2.23 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 2.32 2.32 0.00 35 V 7.77 3.66 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 1.08 0.00 0.00 36 V 7.85 3.73 2.27 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 1.12 0.00 0.00 0.99 0.00 0.00 37 P 0.00 4.43 0.00 2.33 2.33 0.00 3.97 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.07 0.00 38 G 8.53 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 39 F 8.75 3.61 0.00 2.98 3.19 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 40 Q 7.97 3.71 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 41 A 8.06 4.05 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 42 L 7.67 4.03 0.00 1.53 1.65 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.26 4.14 0.00 3.43 2.77 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 44 E 7.01 3.92 0.00 1.91 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 2.51 2.36 0.00 45 G 8.82 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 46 C 7.73 4.59 0.00 3.04 2.82 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 47 T 8.69 4.66 4.35 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 1.33 0.00 0.00 48 P 0.00 4.53 0.00 2.36 2.14 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 49 Y 8.17 4.11 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.13 4.24 0.00 2.95 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 51 I 7.84 3.69 2.09 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.56 0.00 0.00 52 N 8.43 4.48 0.00 2.78 2.91 0.00 0.00 7.09 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 53 Q 7.76 4.23 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 54 M 8.13 4.28 0.00 1.55 2.15 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.41 0.00 55 L 8.00 4.43 0.00 1.95 1.78 1.00 0.67 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 56 N 7.95 4.42 0.00 2.94 2.94 0.00 0.00 6.97 7.75 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 57 C 8.21 4.35 0.00 3.15 3.23 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 58 V 7.57 3.99 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 1.26 0.00 0.00 1.28 0.00 0.00 59 G 8.03 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 0.00 0.00 0.00 60 D 7.98 4.63 0.00 2.86 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 61 H 8.18 4.95 0.00 3.42 3.40 0.00 5.63 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 62 Q 8.24 3.98 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 63 A 8.11 3.94 1.19 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 0.00 0.00 64 A 7.98 3.76 0.42 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 65 M 8.26 3.96 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 66 Q 8.45 4.01 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 67 I 7.47 3.69 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.90 0.00 0.00 68 I 7.91 3.68 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.90 0.00 0.00 69 R 8.44 3.91 0.00 1.96 1.99 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 70 E 8.26 3.90 0.00 2.17 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 2.33 0.00 71 I 7.64 3.68 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.81 0.96 0.00 0.00 72 I 8.07 3.77 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.94 1.16 0.00 0.00 73 N 8.37 4.29 0.00 2.85 2.83 0.00 0.00 7.08 8.43 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 74 E 8.10 3.86 0.00 2.06 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 2.27 2.48 0.00 75 E 8.03 3.51 0.00 1.16 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 2.16 2.05 0.00 76 A 7.58 3.72 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 77 A 7.88 3.91 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 78 E 8.19 3.85 0.00 2.04 1.90 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 2.28 2.35 0.00 79 W 8.15 4.22 0.00 3.77 3.42 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 80 D 8.38 4.57 0.00 2.98 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 81 V 7.60 3.57 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 0.78 0.00 0.00 0.96 0.00 0.00 82 Q 7.85 4.08 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 83 H 7.21 4.68 0.00 2.74 3.03 0.00 5.85 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 84 P 0.00 4.35 0.00 2.15 2.02 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 85 I 8.19 3.93 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.94 0.00 0.00 86 P 0.00 4.25 0.00 2.16 2.17 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 87 G 7.99 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 88 P 0.00 4.51 0.00 2.07 2.03 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 89 L 8.18 4.24 0.00 1.62 1.60 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.26 0.00 2.42 1.98 0.00 3.71 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 2.21 2.11 0.00 91 A 8.57 4.08 1.26 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 0.00 0.00 0.00 0.00 0.00 92 G 8.92 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 0.00 0.00 0.00 93 Q 7.76 4.29 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 94 L 8.38 4.14 0.00 1.57 1.58 0.74 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.57 4.24 0.00 2.08 2.04 0.00 3.22 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 96 E 8.58 4.21 0.00 2.03 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 2.38 2.29 0.00 97 P 0.00 3.81 0.00 1.22 0.49 0.00 3.43 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.00 98 R 8.95 4.61 0.00 1.84 2.10 0.00 3.38 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 99 G 9.60 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 0.00 100 S 8.07 4.23 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.81 4.39 0.00 2.62 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 0.00 102 I 7.19 3.25 1.46 0.00 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.22 -0.33 0.00 0.00 103 A 7.61 2.58 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 0.00 104 G 7.31 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 0.00 105 T 7.89 4.19 4.27 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 1.23 0.00 0.00 106 T 7.93 4.67 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 1.24 0.00 0.00 107 S 7.76 5.00 0.00 4.13 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 0.00 108 T 8.64 4.26 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 1.16 0.00 0.00 109 V 7.95 3.57 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 0.69 0.00 0.00 0.85 0.00 0.00 110 E 7.95 3.88 0.00 1.96 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 2.33 2.39 0.00 111 E 8.06 3.35 0.00 1.80 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 1.93 2.10 0.00 112 Q 8.02 4.26 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 113 I 8.09 3.86 1.94 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 0.89 1.01 0.00 0.00 114 Q 8.08 3.93 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 115 W 8.02 4.36 0.00 3.63 2.99 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 0.00 116 M 8.14 4.09 0.00 1.39 2.17 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.46 0.00 117 F 7.80 4.46 0.00 2.82 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 0.00 0.00 0.00 118 R 7.96 4.19 0.00 1.95 2.08 0.00 3.14 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 119 P 0.00 4.37 0.00 2.24 2.28 0.00 3.75 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 2.02 1.99 0.00 120 Q 7.95 4.45 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 121 N 8.97 4.18 0.00 2.91 2.85 0.00 0.00 7.14 8.02 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 0.00 122 P 0.00 4.49 0.00 2.10 2.10 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 123 V 8.33 4.30 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 0.75 0.00 0.00 0.98 0.00 0.00 124 P 0.00 4.49 0.00 2.20 2.08 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 125 V 7.57 3.44 1.82 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 0.60 0.00 0.00 1.00 0.00 0.00 126 G 7.80 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 0.00 127 N 7.94 4.31 0.00 2.66 2.81 0.00 0.00 7.11 7.10 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 0.00 128 I 7.57 3.54 1.31 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.35 0.00 0.00 129 Y 7.47 3.42 0.00 2.62 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 0.00 130 R 8.16 3.95 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 131 R 7.82 3.98 0.00 2.18 2.14 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 132 W 7.97 4.45 0.00 3.56 3.19 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 0.00 133 I 7.96 3.54 1.35 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.21 -0.19 0.00 0.00 134 Q 8.29 3.93 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 135 I 8.00 3.96 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.92 0.00 0.00 136 G 8.01 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 0.00 0.00 0.00 0.00 137 L 8.33 4.03 0.00 1.64 1.80 0.66 1.25 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 0.00 138 Q 8.50 4.02 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 139 K 8.12 3.98 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 140 C 8.24 4.12 0.00 3.11 2.54 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 0.00 141 V 7.63 3.92 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 1.15 0.00 0.00 1.04 0.00 0.00 142 R 7.88 4.17 0.00 2.03 2.00 0.00 3.21 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 143 M 7.79 4.46 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 144 Y 8.08 4.03 0.00 3.12 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