NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9005 8.3549 109.7387 45.3581 0.0000 172.5358 2 L 4.1815 7.3993 118.1824 51.5615 44.3227 175.2573 3 S 4.8059 7.5474 116.0213 56.4592 67.3895 174.1123 4 D 4.6212 8.8511 120.1246 57.9760 40.7028 178.2000 5 G 4.1288 8.1076 105.1023 48.4236 0.0000 175.2505 6 E 4.0544 8.0861 120.9135 57.8838 29.4478 179.5790 7 W 4.3989 8.2148 119.7133 59.9019 29.1357 178.1404 8 Q 4.0962 8.9969 118.8052 59.3186 28.2104 179.2767 9 Q 4.0237 7.9845 119.7120 59.4184 29.1149 178.6989 10 V 3.7675 7.8150 119.0515 65.8172 31.3047 178.1113 11 L 4.1091 8.2280 118.5184 57.7911 41.8306 178.4085 12 N 4.4335 8.8851 117.6671 56.9758 38.9650 176.7202 13 V 3.5415 8.0213 119.4079 66.0972 31.4550 177.8648 14 W 4.2432 8.2845 127.5686 60.1218 30.0456 178.0963 15 G 3.6228 8.4079 105.9476 47.2257 0.0000 175.4804 16 K 3.7172 7.2983 119.3437 58.7186 32.4233 179.0845 17 V 2.9381 7.2024 118.9179 65.3312 30.9498 177.8885 18 E 3.6764 7.4556 116.7412 59.4482 29.4884 178.5433 19 A 4.1235 6.8231 118.8610 54.7425 19.8437 177.8064 20 D 4.6680 7.6579 114.6718 52.3213 43.3916 175.4352 21 I 3.6197 7.8424 118.4539 63.9090 38.1043 178.2987 22 A 4.1050 7.9784 122.5618 54.1945 17.7960 179.7035 23 G 3.3556 7.8505 104.3809 48.2209 0.0000 175.5035 24 H 4.1584 8.0761 119.6152 58.3658 28.9388 178.0838 25 G 3.5696 8.0433 107.2160 47.7558 0.0000 175.3655 26 Q 3.8592 8.0135 121.7769 58.9714 29.0317 178.1047 27 E 3.8329 7.7003 119.0266 59.0683 29.7804 178.5005 28 V 3.5239 7.8494 118.5090 66.3880 31.4519 178.0976 29 L 3.5088 7.5780 117.8162 57.5724 41.4823 179.6132 30 I 3.7163 7.6629 120.1074 64.0421 36.8817 178.6553 31 R 3.8283 8.1248 118.6118 59.1861 29.3713 177.9907 32 L 3.8663 7.5232 120.7719 58.2770 41.3913 178.7658 33 F 4.6559 8.4046 117.6987 60.8997 38.9427 178.1064 34 T 4.0860 7.8355 108.8758 64.7523 68.8139 177.3527 35 G 3.6524 8.6306 107.9855 45.9640 0.0000 173.6762 36 H 4.8870 8.3041 117.5357 50.9500 29.3683 171.7664 37 P 4.4867 0.0000 0.0000 64.9675 31.6206 177.6049 38 E 3.8573 8.2578 116.0399 59.4064 29.5259 179.1892 39 T 3.8218 8.5416 111.4751 64.5281 68.6136 176.1768 40 L 3.8676 7.7193 122.4059 57.1501 41.7612 178.2337 41 E 4.2521 7.7436 115.5134 58.3838 29.7101 177.5299 42 K 4.1301 8.0420 116.8192 56.7522 32.4839 176.7171 43 F 4.5401 7.6243 118.0478 55.5726 39.0855 176.0276 44 D 4.4940 8.4090 125.9810 55.9450 41.0591 178.1137 45 K 3.8851 7.7682 120.0447 58.3861 32.0782 177.1936 46 F 5.1110 7.5469 115.9172 56.8503 39.9475 177.0896 47 K 3.9015 8.2465 122.5338 59.6613 32.8095 177.9558 48 H 4.2828 8.3035 114.9223 58.0622 28.8301 174.8514 49 L 3.8257 6.7702 120.4675 55.0987 41.2883 177.0996 50 K 4.1601 8.2513 123.5586 59.0174 32.9857 178.8793 51 T 4.2371 7.6033 108.9014 61.2809 71.1253 174.9037 52 E 4.0255 8.5991 121.8723 58.9806 29.7622 178.8824 53 A 3.9285 7.8306 120.5787 55.1852 18.4476 179.0696 54 E 4.1887 8.1033 116.0639 59.2542 29.9180 178.4363 55 M 4.1644 7.4590 117.8683 57.9581 32.0002 178.6591 56 K 4.0718 7.9226 117.7299 59.1809 32.3698 178.9877 57 A 4.1961 8.4192 119.9704 52.8561 18.3701 177.1830 58 S 4.4680 7.2393 112.3559 57.4546 63.2361 174.6353 59 E 4.1761 8.7147 127.1226 58.2906 29.4746 178.4309 60 D 4.4469 7.8305 118.6657 57.3956 41.3952 177.9691 61 L 3.5014 7.8062 120.2266 57.4168 42.0891 178.7915 62 K 3.8288 7.4159 120.1668 59.2175 32.1452 178.3703 63 K 3.8743 8.0625 119.9612 60.0850 32.1136 177.9935 64 Y 4.4200 8.3715 119.6518 60.6563 38.8329 177.7132 65 G 3.8755 8.1884 106.7788 48.2829 0.0000 175.8025 66 T 3.8692 7.7025 117.1495 66.3981 68.5796 176.9563 67 V 3.6005 7.4239 119.8195 66.6875 31.6280 177.4036 68 V 3.3700 7.9970 117.3389 67.0544 31.1466 177.6880 69 L 4.3167 8.2739 118.3243 57.3979 41.6034 179.6142 70 T 4.1624 8.1509 116.1163 66.0372 68.6171 176.8877 71 A 3.9923 8.0907 122.8452 54.8998 18.4364 179.3352 72 L 3.8131 7.9090 118.8780 58.2912 41.6876 179.2749 73 G 3.5569 8.1524 105.7005 47.7903 0.0000 175.5609 74 G 3.7248 7.9359 107.0690 47.7811 0.0000 175.5260 75 I 3.8902 7.6698 122.1906 64.0298 37.0501 178.5639 76 L 3.8753 7.6159 119.8004 57.5476 41.1061 179.6580 77 K 3.9112 7.2988 116.7524 58.7196 32.3446 179.0020 78 K 3.9497 7.7208 118.2324 56.4081 32.0756 177.0586 79 K 2.0000 7.8988 117.3744 56.5931 29.7681 176.3144 80 G 4.0188 8.1857 107.3434 45.7466 0.0000 173.7813 81 H 4.7646 7.0823 117.0475 56.3609 28.8804 175.0847 82 H 5.2664 7.3589 109.6735 54.8127 29.4876 176.9364 83 E 3.9697 8.4158 122.1481 60.3937 29.0395 178.4799 84 A 4.0274 7.8809 119.3112 55.3659 18.3782 179.0876 85 E 4.1144 8.1047 116.5669 59.1100 29.7068 179.1386 86 L 3.8826 8.1961 120.6271 58.0992 42.1511 178.3143 87 K 3.7546 7.7151 119.7192 59.4766 32.0344 176.3635 88 P 4.2442 0.0000 0.0000 66.2039 30.8898 177.8492 89 L 4.1377 7.9249 118.8065 57.1828 42.1016 178.6607 90 A 4.0676 7.8915 121.1474 55.1797 18.4172 179.5881 91 Q 3.9069 8.4393 117.2071 59.0468 28.8479 179.1942 92 S 4.0087 8.1120 115.1653 61.9819 63.0257 176.2712 93 H 4.2906 8.6204 119.6628 58.0418 28.4940 176.4281 94 A 2.9604 7.8990 123.5277 54.1240 18.3442 179.2159 95 T 3.5907 8.2309 112.9182 64.0802 67.7347 175.3147 96 K 4.1342 7.4768 119.9687 58.4531 33.2678 177.1049 97 H 4.1999 7.9629 116.3346 56.6723 29.2183 175.7748 98 K 3.6560 7.3902 116.3111 55.8238 28.6136 173.6013 99 I 4.5314 8.1331 118.3344 58.5793 37.9051 174.5634 100 P 4.5651 0.0000 0.0000 62.6649 31.5759 177.8323 101 I 3.7496 9.4063 125.0337 64.4137 37.0463 177.9979 102 K 3.9722 7.8472 119.4220 58.8006 31.9822 177.9969 103 Y 4.5816 9.2055 117.6072 60.4515 37.9922 177.1516 104 L 4.4426 7.6664 117.6837 55.9945 41.7367 178.2037 105 E 4.2604 7.7801 118.5304 58.5243 30.4254 177.2999 106 F 4.7027 8.0680 117.8007 61.0785 39.0401 177.4844 107 I 3.7686 7.9489 117.7678 64.3447 37.4285 178.0934 108 S 4.1831 7.9199 114.7210 61.6989 62.4811 176.2548 109 D 4.2838 8.1995 120.8487 56.4458 40.7044 178.7200 110 A 3.9972 7.8370 121.1610 55.6078 18.4394 178.9050 111 I 3.6280 7.9836 118.1786 64.7388 36.6730 178.2546 112 I 3.8289 7.7054 119.7317 65.1780 37.1619 178.0694 113 H 4.0880 8.2029 118.4928 59.3076 29.8295 177.3512 114 V 3.5977 7.9665 120.0812 66.2266 31.3336 177.8586 115 L 3.8774 8.6264 118.9517 58.1348 41.0116 179.1467 116 H 4.3278 7.5369 115.3020 58.7493 28.9412 177.0925 117 S 4.1733 7.8628 114.4644 61.5345 62.2266 176.0038 118 K 4.1203 7.8702 121.0320 57.8959 33.4881 176.6160 119 H 4.8228 7.8250 115.3632 53.5141 29.0966 170.9556 120 P 4.6733 0.0000 0.0000 65.6297 30.3891 176.5803 121 G 4.1110 8.7534 110.5692 45.3507 0.0000 172.2791 122 D 4.9270 8.0467 117.9192 52.8870 40.1182 176.6737 123 F 5.0615 7.8692 122.0395 56.0435 38.8587 175.2266 124 G 3.8760 7.9263 111.1265 44.3451 0.0000 170.9148 125 A 3.8878 8.4223 122.4868 55.0922 18.3371 179.7912 126 D 4.3392 7.9911 116.4401 55.8906 39.6796 178.5263 127 A 4.0276 7.6464 122.3305 55.0489 18.5658 179.1667 128 Q 3.5483 7.8938 118.2849 58.8304 28.9819 178.2349 129 G 3.5695 7.8209 106.6810 47.8921 0.0000 175.2742 130 A 3.8699 8.1959 123.8741 54.8116 17.9753 179.4515 131 M 4.0621 8.5270 116.9640 59.0692 32.3573 178.6623 132 T 3.9541 8.1929 116.1893 66.2437 68.6180 176.6599 133 K 3.9562 7.8345 121.0001 59.5852 32.3320 178.6946 134 A 4.1604 7.6050 120.8187 54.8085 18.4130 179.6135 135 L 3.9620 7.6616 117.0995 57.8647 41.6194 179.3257 136 E 3.9953 8.3446 118.8478 59.2596 29.0899 178.9009 137 L 4.2266 8.5602 120.6859 57.9504 41.9140 178.6833 138 F 4.1514 8.0702 119.6667 60.6010 39.5836 177.7893 139 R 3.7940 8.2057 117.9511 58.9181 29.8538 178.0736 140 N 4.1808 8.6681 117.2397 57.1856 38.9028 176.5978 141 D 4.3198 7.5826 119.5049 57.2618 40.9223 178.7855 142 I 3.4007 7.1420 120.1833 64.2919 37.0345 178.1818 143 A 3.9555 7.7351 121.1822 55.0861 17.7542 179.5402 144 A 3.9344 7.8593 119.1521 55.3887 18.2840 180.1067 145 K 4.0872 8.1293 117.0275 59.7874 32.1417 179.1543 146 Y 4.3417 8.6054 117.1149 60.3641 37.9169 177.8999 147 K 4.0934 8.2398 121.1520 59.4154 32.0275 178.2132 148 E 3.9893 7.7361 117.1376 59.5414 29.5617 178.9151 149 L 4.1843 7.8604 118.5183 55.0117 42.0610 177.3096 150 G 3.8275 7.6327 106.5443 46.3570 0.0000 174.0123 151 F 4.3398 8.3245 122.7062 56.7281 39.4432 172.2330 152 Q 3.0792 8.3790 132.3185 56.4230 28.2314 173.8456 153 G 3.7144 8.3014 110.2179 46.2769 0.0000 172.1938 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 G 8.35 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 2 L 7.40 4.18 0.00 0.82 0.82 0.76 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.55 4.81 0.00 4.23 3.98 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 4 D 8.85 4.62 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.11 4.13 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 0.00 0.00 0.00 6 E 8.09 4.05 0.00 1.75 1.77 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 2.31 2.31 0.00 7 W 8.21 4.40 0.00 3.52 3.11 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 0.00 8 Q 9.00 4.10 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.72 0.00 9 Q 7.98 4.02 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 10 V 7.82 3.77 2.58 0.00 0.00 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 0.89 0.00 0.00 11 L 8.23 4.11 0.00 1.86 1.79 0.92 0.86 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 12 N 8.89 4.43 0.00 2.84 2.95 0.00 0.00 6.90 6.45 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 13 V 8.02 3.54 2.29 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 0.80 0.00 0.00 1.20 0.00 0.00 14 W 8.28 4.24 0.00 3.67 3.28 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 15 G 8.41 3.62 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 0.00 0.00 0.00 16 K 7.30 3.72 0.00 1.46 1.56 0.00 1.26 0.00 0.00 1.47 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.35 7.81 17 V 7.20 2.94 0.67 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 0.09 0.00 0.00 0.14 0.00 0.00 18 E 7.46 3.68 0.00 1.84 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 1.99 2.31 0.00 19 A 6.82 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.66 4.67 0.00 2.65 2.44 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 21 I 7.84 3.62 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.57 0.87 0.00 0.00 22 A 7.98 4.11 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 23 G 7.85 3.36 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 0.00 24 H 8.08 4.16 0.00 3.11 3.24 0.00 5.83 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 8.04 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.01 3.86 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 27 E 7.70 3.83 0.00 2.21 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 2.27 2.26 0.00 28 V 7.85 3.52 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 0.90 0.00 0.00 0.95 0.00 0.00 29 L 7.58 3.51 0.00 1.68 1.12 0.87 0.68 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 30 I 7.66 3.72 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.87 0.00 0.00 31 R 8.12 3.83 0.00 1.97 2.25 0.00 3.10 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 32 L 7.52 3.87 0.00 1.77 1.44 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.40 4.66 0.00 3.02 2.92 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 34 T 7.84 4.09 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 1.25 0.00 0.00 35 G 8.63 3.65 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 0.00 0.00 0.00 36 H 8.30 4.89 0.00 2.87 3.24 0.00 5.67 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 37 P 0.00 4.49 0.00 2.17 2.15 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 38 E 8.26 3.86 0.00 2.34 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 2.45 2.67 0.00 39 T 8.54 3.82 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 0.50 0.00 0.00 40 L 7.72 3.87 0.00 1.42 1.77 0.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.74 4.25 0.00 2.28 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 0.00 2.39 2.35 0.00 42 K 8.04 4.13 0.00 1.80 1.71 0.00 1.93 0.00 0.00 1.96 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.65 7.81 43 F 7.62 4.54 0.00 3.11 2.72 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 44 D 8.41 4.49 0.00 2.60 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 45 K 7.77 3.89 0.00 1.25 0.74 0.00 1.30 0.00 0.00 1.14 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.84 1.16 7.81 46 F 7.55 5.11 0.00 2.59 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 47 K 8.25 3.90 0.00 1.87 2.16 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 48 H 8.30 4.28 0.00 3.30 3.46 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 6.77 3.83 0.00 1.50 1.61 0.74 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.25 4.16 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.37 7.81 51 T 7.60 4.24 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 52 E 8.60 4.03 0.00 2.05 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 2.35 0.00 53 A 7.83 3.93 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 8.10 4.19 0.00 1.96 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 2.33 2.36 0.00 55 M 7.46 4.16 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.50 0.00 56 K 7.92 4.07 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 57 A 8.42 4.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.24 4.47 0.00 4.01 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 59 E 8.71 4.18 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 60 D 7.83 4.45 0.00 2.90 3.16 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 61 L 7.81 3.50 0.00 1.10 1.52 0.35 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.42 3.83 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 63 K 8.06 3.87 0.00 2.04 2.20 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.55 7.81 64 Y 8.37 4.42 0.00 3.32 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 65 G 8.19 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 66 T 7.70 3.87 4.50 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 1.23 0.00 0.00 67 V 7.42 3.60 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 1.14 0.00 0.00 1.04 0.00 0.00 68 V 8.00 3.37 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 0.87 0.00 0.00 -0.18 0.00 0.00 69 L 8.27 4.32 0.00 1.78 1.84 0.94 0.91 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 70 T 8.15 4.16 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 1.26 0.00 0.00 71 A 8.09 3.99 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 72 L 7.91 3.81 0.00 1.78 1.71 0.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.15 3.56 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 0.00 0.00 0.00 74 G 7.94 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 75 I 7.67 3.89 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.06 0.98 0.00 0.00 76 L 7.62 3.88 0.00 1.23 1.50 -0.03 0.70 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 77 K 7.30 3.91 0.00 1.75 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.57 7.81 78 K 7.72 3.95 0.00 1.94 1.65 0.00 1.98 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.73 7.81 79 K 7.90 2.00 0.00 1.32 0.95 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.40 0.73 7.81 80 G 8.19 4.02 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 81 H 7.08 4.76 0.00 3.20 3.24 0.00 5.65 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 82 H 7.36 5.27 0.00 3.30 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.42 3.97 0.00 2.09 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 2.41 2.45 0.00 84 A 7.88 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.10 4.11 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 86 L 8.20 3.88 0.00 1.84 1.66 0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.72 3.75 0.00 1.98 1.81 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 88 P 0.00 4.24 0.00 2.33 2.33 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 89 L 7.92 4.14 0.00 1.81 1.79 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.89 4.07 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 0.00 0.00 91 Q 8.44 3.91 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 92 S 8.11 4.01 0.00 4.02 4.28 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 93 H 8.62 4.29 0.00 3.58 3.64 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 94 A 7.90 2.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.23 3.59 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 1.18 0.00 0.00 96 K 7.48 4.13 0.00 1.56 1.51 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 H 7.96 4.20 0.00 3.06 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.39 3.66 0.00 1.88 1.98 0.00 2.05 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 1.31 7.81 99 I 8.13 4.53 2.21 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 1.55 0.98 1.27 0.00 0.00 100 P 0.00 4.57 0.00 1.56 1.68 0.00 3.31 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.91 0.00 101 I 9.41 3.75 1.97 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.29 0.87 0.00 0.00 102 K 7.85 3.97 0.00 1.67 1.54 0.00 1.41 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.09 0.54 7.81 103 Y 9.21 4.58 0.00 3.35 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 0.00 104 L 7.67 4.44 0.00 1.96 1.76 0.85 0.85 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 0.00 105 E 7.78 4.26 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 106 F 8.07 4.70 0.00 3.28 2.92 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 0.00 107 I 7.95 3.77 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 1.17 0.00 0.00 108 S 7.92 4.18 0.00 4.22 3.98 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 0.00 109 D 8.20 4.28 0.00 3.13 2.81 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 0.00 110 A 7.84 4.00 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 0.00 111 I 7.98 3.63 2.08 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 1.60 0.86 0.99 0.00 0.00 112 I 7.71 3.83 2.01 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 1.66 0.99 1.10 0.00 0.00 113 H 8.20 4.09 0.00 3.33 3.51 0.00 5.79 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 0.00 114 V 7.97 3.60 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 0.95 0.00 0.00 0.98 0.00 0.00 115 L 8.63 3.88 0.00 1.44 0.58 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.54 4.33 0.00 3.19 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.17 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.87 4.12 0.00 1.68 1.76 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.97 1.18 7.81 119 H 7.82 4.82 0.00 3.17 3.59 0.00 5.67 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 0.00 120 P 0.00 4.67 0.00 2.06 2.07 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.33 0.00 121 G 8.75 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 0.00 0.00 0.00 0.00 122 D 8.05 4.93 0.00 2.73 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 0.00 123 F 7.87 5.06 0.00 2.74 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 0.00 124 G 7.93 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 8.42 3.89 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 0.00 126 D 7.99 4.34 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.65 4.03 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 0.00 128 Q 7.89 3.55 0.00 1.69 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.19 1.67 0.00 129 G 7.82 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.20 3.87 1.45 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 0.00 0.00 131 M 8.53 4.06 0.00 2.47 2.49 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.81 0.00 132 T 8.19 3.95 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 1.26 0.00 0.00 133 K 7.83 3.96 0.00 1.85 1.55 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.36 7.81 134 A 7.60 4.16 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 0.00 135 L 7.66 3.96 0.00 1.88 1.75 0.98 0.61 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 0.00 136 E 8.34 4.00 0.00 2.20 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 2.34 2.36 0.00 137 L 8.56 4.23 0.00 1.77 1.84 1.04 1.16 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 0.00 138 F 8.07 4.15 0.00 3.11 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.21 3.79 0.00 2.18 1.94 0.00 3.21 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 140 N 8.67 4.18 0.00 2.91 2.97 0.00 0.00 7.24 8.35 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 0.00 141 D 7.58 4.32 0.00 2.60 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 0.00 142 I 7.14 3.40 1.35 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.04 -0.13 0.00 0.00 143 A 7.74 3.96 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 0.00 144 A 7.86 3.93 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 0.00 145 K 8.13 4.09 0.00 2.12 2.00 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.56 7.81 146 Y 8.61 4.34 0.00 3.16 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 0.00 147 K 8.24 4.09 0.00 2.05 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 148 E 7.74 3.99 0.00 2.34 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 2.36 2.38 0.00 149 L 7.86 4.18 0.00 1.55 1.67 0.91 0.86 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 0.00 150 G 7.63 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 0.00 151 F 8.32 4.34 0.00 2.75 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 0.00 152 Q 8.38 3.08 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 153 G 8.30 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