NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8211 8.3544 109.7198 45.3020 0.0000 173.4349 4 D 4.4540 8.2335 121.2104 51.9892 43.0322 176.0037 5 K 3.9770 9.4241 128.3908 59.3743 32.6678 178.5063 6 K 4.1375 8.7044 119.1980 58.6799 31.9776 179.2084 7 V 3.6530 8.0697 118.2613 66.3608 31.3895 178.0438 8 I 3.7096 7.8138 119.2561 64.4282 36.8747 178.5105 9 Q 3.9592 7.8079 119.1273 59.1017 28.4036 178.4229 10 H 4.1438 8.5628 117.6650 58.9085 28.7958 177.8684 11 L 4.0077 8.2267 120.9558 57.9914 41.6113 179.4129 12 N 4.5671 8.4159 116.4329 55.8689 38.2861 177.5442 13 K 3.9425 7.9405 121.3026 59.5873 32.3179 178.9310 14 I 3.7251 8.0337 120.4181 64.3583 36.9291 178.1351 15 L 4.0495 8.5763 121.7027 58.1022 41.7546 179.2525 16 G 3.5989 7.9554 105.0995 47.3143 0.0000 175.6613 17 N 4.3904 7.8909 118.6959 56.2961 38.4746 177.3495 18 E 3.9938 8.4120 120.1613 59.3732 29.4829 179.4163 19 L 4.0803 8.1803 119.2193 57.5905 41.6141 179.7241 20 I 3.7211 7.4201 119.8480 64.1862 37.0874 178.2569 21 A 3.3184 7.7155 121.4776 55.1054 18.0696 179.1454 22 I 3.5504 7.6140 118.0591 65.3509 37.2274 178.2150 23 N 4.3468 7.8550 115.2222 56.2881 38.3021 177.5152 24 Q 3.8629 8.0017 121.0553 59.4042 29.2062 177.7868 25 Y 4.7293 8.3093 119.5087 60.4490 37.8911 178.0266 26 F 3.7925 8.7557 122.2111 61.1080 39.5688 177.0282 27 L 4.0478 8.1691 120.0636 58.4493 41.8417 178.5291 28 H 3.9009 8.3874 116.4316 58.7090 28.5348 177.4830 29 S 4.3234 8.5932 115.2356 61.8796 62.2110 176.7160 30 R 3.8973 7.9448 120.2826 59.0521 29.7177 179.1612 31 M 3.5218 7.8273 118.8002 58.0303 31.8707 178.6935 32 W 4.4621 7.9213 119.1239 59.8880 29.1452 178.4273 33 N 4.3788 8.4705 116.5953 56.3482 37.7888 176.7408 34 D 4.3566 7.8953 118.3515 57.2555 41.3286 177.8789 35 W 4.8455 7.9601 116.6183 56.8490 29.2096 176.9981 36 G 3.9602 8.3260 107.8741 46.3817 0.0000 174.2530 37 L 4.8453 7.9745 121.7782 53.3884 40.2644 177.5928 38 K 4.1676 8.5493 121.1276 58.4739 32.6557 178.7643 39 R 3.9760 7.8556 119.3918 58.7661 29.8831 178.4627 40 L 3.7641 7.7040 118.6619 57.4841 41.6665 179.0028 41 G 4.0927 7.9485 105.6517 48.0899 0.0000 175.3845 42 A 3.9579 7.7952 123.0288 55.0492 18.5576 179.1288 43 H 3.9598 8.0424 116.3388 59.4093 29.3799 177.0014 44 E 4.0364 8.5772 121.2450 59.0950 29.5833 177.7426 45 Y 3.9836 8.5174 120.1519 61.2286 38.7354 178.1118 46 H 4.1278 8.1324 116.6275 58.4198 28.7525 177.6000 47 E 3.8243 7.9606 120.4819 59.4556 29.2880 178.8476 48 S 4.2180 8.2116 112.9931 61.7898 62.3802 175.9951 49 I 3.5770 7.5632 121.9785 64.9259 37.0371 178.1024 50 D 4.2895 8.0393 119.2197 57.3497 40.6270 178.6886 51 E 4.2589 8.1797 120.3839 58.8352 29.5051 179.1890 52 M 4.1230 8.0728 118.9328 58.0102 31.9305 178.6427 53 K 4.1233 7.7837 118.2061 59.1221 32.3173 179.0553 54 H 4.3304 8.0424 116.2442 58.6714 28.4928 177.6255 55 A 4.0073 8.1285 122.7172 55.1270 18.2176 179.1744 56 D 4.2523 7.8847 116.0910 57.4110 41.3028 178.6101 57 K 3.9821 8.0979 118.9895 59.3585 32.0431 179.2228 58 L 3.9597 8.0536 119.1311 58.0074 41.6172 179.4141 59 I 3.7207 7.9709 119.8175 64.7694 37.2082 178.3288 60 E 4.0143 8.2432 119.1276 59.3225 29.2658 179.4761 61 R 4.0219 7.9644 118.8127 59.3811 30.1812 178.6054 62 I 3.7140 8.2306 120.0007 64.5941 37.0716 178.3862 63 L 4.0298 8.0926 119.6313 57.7499 41.1416 179.2969 64 F 4.3834 7.8477 119.2830 60.4454 39.4360 176.5607 65 L 3.9738 7.7490 116.3321 53.9222 41.3383 176.4421 66 E 3.6974 7.4182 116.8185 57.3718 27.5424 174.6692 67 G 4.0774 7.6745 109.0777 43.8264 0.0000 173.1899 68 L 4.5951 8.0700 119.2514 51.9118 43.2451 174.9781 69 P 4.3296 0.0000 0.0000 62.9178 31.5696 176.4237 70 N 4.6760 9.0715 123.3815 52.2981 37.6945 173.9165 71 L 4.4254 8.0682 121.1689 54.4483 42.3158 177.6208 72 Q 4.0282 8.1160 121.3078 57.8161 29.3021 175.3154 73 D 4.5013 8.1100 117.7941 52.8728 40.7352 175.8242 74 L 4.3542 8.2513 127.8392 52.8076 41.9741 176.2086 75 G 4.0075 8.3616 116.0859 45.3412 0.0000 170.2141 76 K 4.2464 8.3368 120.1097 55.2135 32.9190 176.9755 77 L 4.1545 8.3895 126.6111 54.5262 42.2300 177.1378 78 L 4.3778 8.4711 124.4727 53.3128 40.6599 174.8925 79 I 4.1996 7.9382 123.3242 59.4216 37.4266 176.5076 80 G 3.9888 8.6189 115.1719 44.9465 0.0000 172.0823 81 E 4.7378 8.8796 115.0304 55.6286 30.6590 174.7989 82 N 5.1316 7.6633 116.3864 50.7117 41.0335 175.0461 83 T 4.3833 8.6372 113.6459 67.1253 68.3231 176.6226 84 Q 4.0207 8.2312 121.0373 59.2227 29.0870 177.9212 85 E 4.0602 8.5728 119.7435 59.4344 29.5361 179.0361 86 M 3.8149 8.1964 118.8551 58.3970 31.9355 178.8560 87 L 4.1893 8.1537 119.1192 57.9083 41.8430 179.3473 88 Q 4.0577 7.9691 119.2549 59.0971 28.8249 177.9278 89 C 4.2492 8.9804 119.1186 62.8898 28.0863 175.7445 90 D 4.6387 8.3225 120.5912 57.2151 40.4036 178.6053 91 L 4.0097 8.0917 121.1154 58.1236 42.0935 178.5876 92 N 4.3632 8.2768 116.5745 56.3654 38.4795 177.1272 93 L 4.0409 7.7414 121.8222 58.1326 42.2089 178.7457 94 E 4.2041 8.2055 118.1331 58.9066 29.5832 179.1423 95 L 4.0464 7.9877 119.5082 57.4857 41.6371 179.3172 96 K 3.9983 8.1996 119.6059 59.3810 32.2653 178.8399 97 A 4.1174 8.1707 121.0057 55.0419 18.3704 179.8749 98 T 3.8555 8.1141 114.8216 66.5561 68.5392 176.8497 99 K 3.9416 7.9201 121.0614 59.7675 32.3120 178.5752 100 D 4.4166 8.1014 119.1549 57.2592 40.8025 178.6277 101 L 3.9817 7.8971 120.7001 58.2530 42.1601 179.3246 102 R 3.9897 7.9695 117.7354 59.1419 30.0865 178.9135 103 E 3.9490 8.1262 117.9017 59.3600 29.5073 179.1868 104 A 3.5920 8.0713 120.7491 55.0367 18.2085 179.8052 105 I 3.7495 7.5668 118.0778 64.3399 37.3536 178.5872 106 V 3.5964 7.7138 119.0856 66.3570 31.3242 177.6396 107 H 4.1835 8.0997 117.4751 59.3699 29.7481 177.0711 108 C 4.1322 7.9719 118.1112 62.4542 27.8533 175.8117 109 E 3.9384 7.8341 121.2827 59.1530 29.0943 178.3741 110 Q 3.9876 7.6272 117.9008 59.0140 29.1149 177.8711 111 V 3.8993 7.1711 110.3471 60.4978 31.7708 175.5725 112 H 3.0305 7.4123 113.4938 56.5612 27.2348 176.3774 113 D 4.5151 7.3914 119.8701 53.4721 37.6679 175.8647 114 Y 4.3739 7.2820 120.0269 60.5608 38.8644 177.7135 115 V 3.8077 7.8638 119.0362 66.1389 31.8252 178.0810 116 S 4.1859 8.3702 114.9723 61.5895 62.5815 176.5171 117 R 3.9266 8.0530 121.4538 59.5643 29.6608 178.1061 118 D 4.3126 8.0121 117.3966 56.8888 41.3324 177.6618 119 L 3.9352 7.9977 120.5036 58.5160 41.9607 179.0200 120 L 4.0262 7.9080 118.4980 57.4219 41.5211 179.2896 121 K 3.8683 8.2172 118.7166 59.7856 32.1178 178.7536 122 D 4.3760 8.2582 118.7596 57.7099 40.7993 179.0933 123 I 3.5187 7.6152 119.8914 64.2120 36.9419 178.3467 124 L 3.9560 8.0301 121.3246 58.1200 41.9900 178.6543 125 E 3.9652 8.3994 119.3664 59.1753 29.6337 178.7728 126 S 4.1800 8.0035 113.4270 61.3441 62.4924 175.9638 127 E 4.2364 8.4167 121.3126 59.0763 29.2183 179.2048 128 E 4.0271 8.5273 119.4642 59.3590 29.5198 178.7944 129 E 4.0213 8.2940 118.6719 59.9100 29.5284 179.0136 130 H 4.3500 8.1975 117.6971 59.3551 29.9188 177.2487 131 I 3.6899 7.9086 121.6807 64.4756 36.9659 177.8469 132 D 4.3138 8.0336 118.6103 57.4590 41.0868 177.4035 133 Y 4.1653 8.3016 120.1813 60.8437 38.6365 178.3729 134 L 3.6436 7.8494 119.4845 57.8993 41.8460 179.0486 135 E 3.8627 8.1660 118.4197 60.0937 29.3217 179.9031 136 T 3.8714 7.8804 115.4105 66.4645 68.5010 176.9889 137 Q 3.7825 7.7530 119.9599 58.8796 28.4718 178.7148 138 L 3.8823 7.9346 120.2633 57.7823 41.6155 179.9319 139 G 3.6179 8.0721 105.5220 47.7848 0.0000 175.8056 140 L 4.0991 7.9660 121.2758 57.2599 41.6657 179.6092 141 I 3.6632 7.4462 120.2112 64.0316 36.7014 178.4250 142 Q 3.9570 7.3939 116.9999 58.9640 28.6613 178.5584 143 K 4.1653 7.9143 118.3255 58.4762 32.2192 178.2833 144 V 4.2068 7.9721 109.3476 60.2926 33.4089 176.4305 145 G 4.1217 8.0021 106.9045 45.8535 0.0000 174.5274 146 L 4.0335 8.4461 122.7916 57.9424 42.2573 179.3425 147 E 4.0639 8.1273 117.0837 59.1039 29.6560 178.8268 148 N 4.3180 8.0994 117.2005 56.2576 38.5621 176.2420 149 Y 4.0381 7.7986 119.5687 60.8492 39.0729 177.9936 150 L 4.0357 8.1500 119.5887 57.8232 41.8855 179.0820 151 Q 3.9254 7.8554 118.9115 59.5129 28.7848 178.5993 152 S 4.3462 8.1343 113.2922 60.2336 63.0150 174.4231 153 H 4.6875 7.9920 118.8718 55.6444 29.9092 175.7010 154 M 4.1059 8.0185 120.5521 57.9775 31.9257 176.3516 155 H 5.1192 7.5383 113.7540 54.1393 30.8235 175.1223 156 E 4.1326 8.5761 119.8961 56.8397 29.3741 176.9859 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 3 G 8.35 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 4 D 8.23 4.45 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.42 3.98 0.00 1.84 1.78 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.70 4.14 0.00 1.74 1.56 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.43 7.81 7 V 8.07 3.65 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 1.23 0.00 0.00 1.01 0.00 0.00 8 I 7.81 3.71 1.86 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 1.51 0.51 0.90 0.00 0.00 9 Q 7.81 3.96 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 10 H 8.56 4.14 0.00 3.32 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.23 4.01 0.00 1.69 1.74 0.95 1.00 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 12 N 8.42 4.57 0.00 2.86 2.86 0.00 0.00 6.69 6.55 0.00 0.00 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 K 7.94 3.94 0.00 1.96 1.97 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.03 3.73 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.70 0.92 0.00 0.00 15 L 8.58 4.05 0.00 1.77 1.82 0.92 1.05 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 16 G 7.96 3.60 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 0.00 0.00 0.00 17 N 7.89 4.39 0.00 2.87 2.88 0.00 0.00 6.87 8.97 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 18 E 8.41 3.99 0.00 2.13 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 2.52 2.53 0.00 19 L 8.18 4.08 0.00 1.79 1.68 0.90 0.77 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 20 I 7.42 3.72 1.96 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 1.42 1.10 0.89 0.00 0.00 21 A 7.72 3.32 1.01 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 0.00 0.00 22 I 7.61 3.55 1.96 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 1.50 0.82 0.90 0.00 0.00 23 N 7.86 4.35 0.00 2.80 2.83 0.00 0.00 6.80 7.38 0.00 0.00 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 Q 8.00 3.86 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 25 Y 8.31 4.73 0.00 3.01 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 26 F 8.76 3.79 0.00 3.33 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 27 L 8.17 4.05 0.00 1.92 1.67 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.39 3.90 0.00 3.45 2.83 0.00 5.70 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 29 S 8.59 4.32 0.00 3.97 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 30 R 7.94 3.90 0.00 1.97 1.94 0.00 3.09 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 31 M 7.83 3.52 0.00 0.91 1.69 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 2.48 2.21 0.00 32 W 7.92 4.46 0.00 3.69 3.25 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 33 N 8.47 4.38 0.00 2.87 2.86 0.00 0.00 6.61 7.70 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 34 D 7.90 4.36 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.96 4.85 0.00 3.76 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.33 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 0.00 0.00 0.00 37 L 7.97 4.85 0.00 2.08 1.59 1.32 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.55 4.17 0.00 2.02 1.85 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 39 R 7.86 3.98 0.00 2.03 1.89 0.00 3.11 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 40 L 7.70 3.76 0.00 1.20 0.13 0.32 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.95 4.09 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 0.00 0.00 0.00 42 A 7.80 3.96 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 43 H 8.04 3.96 0.00 3.32 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.58 4.04 0.00 2.49 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 0.00 2.79 2.65 0.00 45 Y 8.52 3.98 0.00 2.87 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 46 H 8.13 4.13 0.00 3.34 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.96 3.82 0.00 2.03 1.69 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 2.31 2.16 0.00 48 S 8.21 4.22 0.00 4.01 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 49 I 7.56 3.58 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.69 0.82 0.00 0.00 50 D 8.04 4.29 0.00 2.89 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 51 E 8.18 4.26 0.00 2.14 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 0.00 2.64 2.56 0.00 52 M 8.07 4.12 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 53 K 7.78 4.12 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.55 7.81 54 H 8.04 4.33 0.00 3.50 3.34 0.00 5.64 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 55 A 8.13 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.88 4.25 0.00 2.91 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 57 K 8.10 3.98 0.00 2.02 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.66 7.81 58 L 8.05 3.96 0.00 1.89 1.73 0.96 0.77 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 59 I 7.97 3.72 2.03 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 0.87 0.92 0.00 0.00 60 E 8.24 4.01 0.00 2.18 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 2.35 2.61 0.00 61 R 7.96 4.02 0.00 2.11 2.14 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 I 8.23 3.71 2.03 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 1.54 0.63 0.93 0.00 0.00 63 L 8.09 4.03 0.00 1.99 1.79 0.93 0.96 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 64 F 7.85 4.38 0.00 3.06 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 65 L 7.75 3.97 0.00 1.76 1.59 0.95 0.73 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 66 E 7.42 3.70 0.00 1.94 1.95 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 2.19 2.15 0.00 67 G 7.67 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 68 L 8.07 4.60 0.00 1.59 1.58 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.33 0.00 2.04 2.01 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 70 N 9.07 4.68 0.00 2.61 2.89 0.00 0.00 7.24 7.43 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 71 L 8.07 4.43 0.00 1.64 1.66 0.92 0.96 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 72 Q 8.12 4.03 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.11 4.50 0.00 2.69 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 74 L 8.25 4.35 0.00 1.54 1.57 0.88 1.05 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 75 G 8.36 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 0.00 0.00 0.00 76 K 8.34 4.25 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.51 7.81 77 L 8.39 4.15 0.00 1.63 1.55 0.93 0.96 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 78 L 8.47 4.38 0.00 1.77 1.67 1.00 0.78 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 79 I 7.94 4.20 1.88 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 1.33 0.78 0.90 0.00 0.00 80 G 8.62 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.88 4.74 0.00 2.16 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 2.41 2.23 0.00 82 N 7.66 5.13 0.00 2.85 2.88 0.00 0.00 6.23 7.22 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 83 T 8.64 4.38 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 84 Q 8.23 4.02 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 85 E 8.57 4.06 0.00 2.11 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 2.34 2.36 0.00 86 M 8.20 3.81 0.00 1.31 2.16 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.00 0.00 87 L 8.15 4.19 0.00 1.92 1.73 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.97 4.06 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 89 C 8.98 4.25 0.00 3.30 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 90 D 8.32 4.64 0.00 2.99 2.80 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 91 L 8.09 4.01 0.00 1.87 1.85 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.28 4.36 0.00 2.98 2.89 0.00 0.00 6.66 6.66 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 93 L 7.74 4.04 0.00 1.92 1.99 0.93 0.96 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 94 E 8.21 4.20 0.00 2.05 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 2.67 2.54 0.00 95 L 7.99 4.05 0.00 1.89 1.73 0.93 0.28 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 96 K 8.20 4.00 0.00 1.91 2.07 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.17 4.12 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 98 T 8.11 3.86 4.58 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 0.00 0.00 0.00 1.23 0.00 0.00 99 K 7.92 3.94 0.00 1.87 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.10 4.42 0.00 2.77 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 0.00 101 L 7.90 3.98 0.00 2.14 1.73 0.93 0.98 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 0.00 102 R 7.97 3.99 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 103 E 8.13 3.95 0.00 2.03 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 2.35 2.34 0.00 104 A 8.07 3.59 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 0.00 105 I 7.57 3.75 2.00 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 1.42 1.07 0.93 0.00 0.00 106 V 7.71 3.60 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 1.00 0.00 0.00 0.96 0.00 0.00 107 H 8.10 4.18 0.00 3.31 3.20 0.00 5.84 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 0.00 108 C 7.97 4.13 0.00 3.20 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 0.00 109 E 7.83 3.94 0.00 2.09 2.14 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 2.37 2.45 0.00 110 Q 7.63 3.99 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.10 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 111 V 7.17 3.90 1.95 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 0.67 0.00 0.00 0.87 0.00 0.00 112 H 7.41 3.03 0.00 3.09 3.00 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.39 4.52 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.28 4.37 0.00 3.07 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 0.00 115 V 7.86 3.81 2.15 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.37 4.19 0.00 4.24 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 0.00 117 R 8.05 3.93 0.00 2.10 2.24 0.00 3.26 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 118 D 8.01 4.31 0.00 3.13 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 0.00 119 L 8.00 3.94 0.00 1.97 1.76 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.91 4.03 0.00 1.91 1.70 0.93 1.01 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 0.00 121 K 8.22 3.87 0.00 2.17 1.89 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.38 7.81 122 D 8.26 4.38 0.00 2.84 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 0.00 123 I 7.62 3.52 1.97 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 1.14 0.65 0.82 0.00 0.00 124 L 8.03 3.96 0.00 1.88 1.87 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.40 3.97 0.00 2.09 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 2.49 2.33 0.00 126 S 8.00 4.18 0.00 4.03 4.10 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 0.00 127 E 8.42 4.24 0.00 2.18 2.30 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 2.68 2.54 0.00 128 E 8.53 4.03 0.00 2.13 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 2.36 2.38 0.00 129 E 8.29 4.02 0.00 2.25 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 2.37 2.44 0.00 130 H 8.20 4.35 0.00 3.30 3.53 0.00 5.62 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 0.00 131 I 7.91 3.69 2.10 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 1.43 0.63 0.93 0.00 0.00 132 D 8.03 4.31 0.00 2.86 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 0.00 133 Y 8.30 4.17 0.00 3.18 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 0.00 134 L 7.85 3.64 0.00 1.87 1.63 0.98 0.86 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 0.00 135 E 8.17 3.86 0.00 1.98 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 2.31 2.35 0.00 136 T 7.88 3.87 4.33 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 0.00 0.00 1.19 0.00 0.00 137 Q 7.75 3.78 0.00 1.72 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 138 L 7.93 3.88 0.00 1.77 1.63 0.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.07 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 0.00 140 L 7.97 4.10 0.00 1.78 1.83 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.45 3.66 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.04 0.80 0.00 0.00 142 Q 7.39 3.96 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 143 K 7.91 4.17 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 144 V 7.97 4.21 2.12 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 0.72 0.00 0.00 1.10 0.00 0.00 145 G 8.00 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.45 4.03 0.00 1.76 1.69 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.13 4.06 0.00 2.21 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 2.37 2.34 0.00 148 N 8.10 4.32 0.00 3.11 2.93 0.00 0.00 6.78 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.80 4.04 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.15 4.04 0.00 1.76 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.86 3.93 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 152 S 8.13 4.35 0.00 3.85 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 0.00 153 H 7.99 4.69 0.00 2.96 2.99 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.02 4.11 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 155 H 7.54 5.12 0.00 3.10 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.58 4.13 0.00 1.95 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 2.29 2.29 0.00