NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1X M 4.6886 8.3044 120.3546 55.6967 33.4866 175.1090 1 E 4.5948 8.4169 122.0084 55.6711 31.4758 172.6713 2 Q 5.1292 9.4337 125.0876 54.6047 31.3001 174.0746 3 L 4.9873 8.2961 120.6947 53.4128 44.8295 176.0795 4 T 4.5893 8.2093 109.8224 59.9080 71.1854 175.4912 5 K 3.6488 8.9238 122.9227 60.4163 31.8326 179.4114 6 C 4.4017 8.1512 115.7288 59.8731 36.0791 175.8791 7 E 3.9002 7.8531 120.5988 59.3604 29.0598 179.4365 8 V 3.4983 7.7761 118.4783 65.8778 31.2403 177.8596 9 F 3.9601 7.9334 119.6367 60.8757 39.2150 176.8254 10 R 4.1752 7.5325 117.9459 59.2263 30.1999 177.7966 11 E 4.2304 8.6067 116.0070 57.5867 29.8318 177.8376 12 L 4.4837 7.4740 119.0723 54.2293 41.9168 177.9518 13 K 3.8977 8.0250 123.4661 59.5665 32.2498 178.5841 14 D 4.4557 7.8927 117.5334 56.9549 41.0532 177.1945 15 L 4.0142 7.7148 117.8293 55.4803 41.8041 176.1632 16 K 4.0264 7.3466 119.3380 59.1809 32.0591 174.9836 17 G 4.1033 9.2408 115.9697 45.6262 0.0000 172.0057 18 Y 3.9021 7.4423 120.3326 59.1439 38.7199 176.1574 19 G 3.7906 8.5996 115.0038 45.6813 0.0000 174.0444 20 G 3.9131 8.5206 108.5640 44.8689 0.0000 174.4898 21 V 3.8772 7.4266 120.7202 60.7706 32.1393 176.3963 22 S 4.6335 8.6455 120.5027 57.7098 65.1960 175.2563 23 L 3.9980 8.2775 121.4109 57.3301 41.3146 177.9269 24 P 4.4020 0.0000 0.0000 65.0309 31.2744 178.5904 25 E 3.7820 7.7579 116.9166 59.1271 29.4281 179.2230 26 W 4.2864 7.7338 119.0686 59.6786 28.5098 178.8390 27 V 3.6794 7.9521 118.4311 65.8276 30.8598 177.4203 28 C 2.4500 7.6994 118.2350 59.1098 39.8153 175.5034 29 T 3.7643 8.1044 117.8167 67.0181 68.0423 176.7916 30 T 3.9490 8.0704 111.2670 64.3879 68.5547 176.3839 31 F 3.4430 7.7232 123.0012 61.3982 39.2474 176.6797 32 H 4.0320 7.5721 113.0942 57.7341 28.5344 177.4990 33 T 4.3267 7.4617 117.7952 65.4094 69.0086 175.6917 34 S 4.4832 7.8958 111.9313 56.9546 64.1060 174.9685 35 G 3.5843 8.5297 108.5120 46.4539 0.0000 174.3173 36 Y 3.8029 7.8465 114.5843 58.0803 35.6203 168.3581 37 D 4.9489 7.8904 121.2390 53.5179 41.2030 177.1361 38 T 4.1349 8.8112 118.4201 63.7929 68.8850 175.4217 39 Q 4.8139 8.2600 121.1622 55.2910 29.7321 175.2691 40 A 4.2132 8.0299 120.9412 52.3068 19.4856 177.6402 41 I 4.8955 8.3027 122.5812 59.4277 40.7944 175.0648 42 V 4.3289 8.6629 126.7316 61.0478 34.4119 173.7085 43 Q 5.0320 8.7925 129.0468 54.6864 30.5853 173.2616 44 N 4.8342 8.7367 121.8139 53.8294 39.0622 174.3053 45 N 4.8667 7.5631 114.8847 52.7844 42.6294 173.5970 46 D 4.7655 8.4449 120.8335 54.5951 42.5723 176.3627 47 S 4.9515 7.5491 113.3392 57.0748 66.9782 172.8008 48 T 4.8208 8.9847 117.5756 61.9533 71.3579 173.2571 49 E 5.1897 9.1089 124.4669 54.8960 32.9072 174.4859 50 Y 5.0042 9.3632 122.6580 57.4926 40.9044 177.7847 51 G 4.5632 8.9712 112.0589 44.4842 0.0000 173.6374 52 L 4.0271 8.5628 118.6070 57.0798 42.0715 178.5535 53 F 4.7549 8.2175 114.2198 56.7200 40.0420 175.2937 54 Q 3.5866 7.7336 119.1068 56.9045 26.1461 172.5658 55 I 4.6055 8.2696 119.4338 59.8837 38.8395 176.4370 56 N 5.9959 9.5959 125.5510 52.1463 38.7260 175.1474 57 N 5.1334 8.9485 117.5980 53.1445 37.8254 175.6114 58 K 4.1491 8.5015 122.5369 59.3195 33.0058 178.1196 59 I 3.9263 8.6099 119.7117 61.8855 39.5840 177.9796 60 W 4.5832 7.9995 120.4993 58.1788 29.8063 173.4521 61 C 5.6508 7.8547 110.8106 53.2929 46.2275 173.1455 62 K 4.3790 8.9864 121.9016 56.1370 33.2593 174.9887 63 D 5.1284 8.4515 125.9423 52.3099 44.0621 176.0402 64 D 4.5552 9.1256 125.0143 56.2329 40.9589 176.5657 65 Q 4.6191 7.6071 116.2604 55.1868 29.0581 175.9099 66 N 4.7338 7.7324 117.4310 53.4441 39.6543 172.4964 67 P 4.3885 0.0000 0.0000 64.1762 32.0869 177.5807 68 H 4.4838 7.9171 114.9465 56.5907 28.9917 175.4689 69 S 4.6269 7.2991 114.0605 58.1132 62.6253 174.2580 70 S 4.2132 8.5247 120.8207 58.8858 63.6496 173.7515 71 N 4.2026 8.1200 118.8698 54.2609 37.5906 175.5983 72 I 3.7264 7.8533 119.2325 64.6889 37.6277 177.4196 73 C 4.5913 8.6405 115.6898 57.2367 40.2961 173.1481 74 N 4.2590 8.4062 116.5193 54.0212 36.4749 173.5088 75 I 4.5818 7.6764 115.3960 59.0452 41.9642 173.4927 76 S 4.6916 8.0213 117.5955 57.3159 63.2823 175.7305 77 C 3.6508 8.5441 125.2469 59.6967 37.1507 176.1721 78 D 4.0952 7.5639 120.0630 55.7979 38.8517 177.9065 79 K 4.1627 7.3769 117.9929 57.6722 32.0908 177.7842 80 F 5.2245 7.4871 117.2717 57.5196 39.5242 175.9391 81 L 4.8029 8.1443 118.6196 54.5942 42.2701 176.2217 82 D 4.8156 7.7323 118.8250 52.0756 41.4414 175.4673 83 D 4.4603 8.5184 117.0209 54.8254 39.9874 175.5338 84 D 4.6363 7.8239 120.6206 53.4797 41.6163 176.0640 85 L 4.8927 8.2686 126.9563 54.3330 41.7835 178.4285 86 T 3.8084 7.8981 118.3080 66.8777 68.4132 176.2273 87 D 4.4190 8.0762 120.2242 56.0689 39.4997 178.0832 88 D 3.9283 8.0906 120.1504 57.3675 40.6727 178.4810 89 I 3.1288 7.4973 119.2008 64.0557 37.2168 178.6027 90 V 3.5716 7.2633 120.1890 64.7596 31.2638 177.6769 91 C 4.1439 8.1506 119.3950 59.3663 37.7004 175.7347 92 V 3.0394 7.5324 119.8784 65.5505 30.8233 177.8920 93 K 3.7173 7.3210 117.7104 58.5416 31.8991 179.3759 94 K 4.0659 7.8859 119.1603 59.2902 31.9511 179.4246 95 I 2.9433 7.1372 119.5881 64.1309 36.6407 178.3839 96 L 4.1495 7.7752 119.2548 57.6486 41.1575 179.4199 97 D 4.4449 7.7691 118.0354 57.1827 40.8938 178.3372 98 K 4.3162 8.1234 117.3652 58.3149 32.5892 178.3585 99 V 4.2836 8.2199 116.5778 64.4137 32.9414 175.2758 100 G 3.9327 7.1906 100.2492 44.1028 0.0000 174.1842 101 I 4.0745 8.3808 117.8057 63.2754 37.9511 176.5761 102 N 4.7573 8.1161 115.4112 54.3715 38.4606 175.2328 103 Y 3.8724 7.9255 121.0771 59.4630 38.9973 175.6301 104 W 4.5217 8.2665 120.5418 55.0488 29.1457 176.9599 105 L 4.0348 8.4348 124.9696 57.4459 41.0255 179.2429 106 A 4.0555 8.1166 120.3349 55.0566 18.2768 178.4730 107 H 3.8692 8.0590 117.4970 59.5371 29.6682 177.2477 108 K 3.9440 7.9661 120.2342 59.4038 32.2913 178.4430 109 A 4.1579 7.6761 119.8912 54.4876 18.5200 178.1302 110 L 4.6989 8.1765 113.3537 54.5218 43.7366 176.6030 111 C 4.9434 8.1885 115.0737 56.7366 40.8927 174.7876 112 S 4.2879 7.9905 115.9255 58.4094 63.2964 174.1303 113 E 4.6355 7.3780 117.1590 55.1793 32.8121 175.3028 114 K 3.8256 8.5787 117.9167 57.9472 29.4303 175.4510 115 L 4.7643 7.5067 115.9085 55.2759 42.5479 179.2987 116 D 4.5029 8.0789 120.6889 57.0831 40.9481 177.9606 117 Q 4.0779 7.9714 115.0399 57.3467 28.9556 176.2599 118 W 4.7033 7.8104 118.0989 56.6063 29.2025 176.0085 119 L 4.6252 7.3073 117.3160 54.1191 42.2058 176.3022 120 C 4.4664 7.6840 118.2404 55.8561 43.1250 174.7462 121 E 4.4346 8.3830 129.0634 54.5291 28.7805 175.8432 122 K 4.1244 7.2375 122.4114 56.8228 33.2566 176.8918 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 1X M 8.30 4.69 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 1 E 8.42 4.59 0.00 2.19 1.79 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 2.23 2.50 0.00 2 Q 9.43 5.13 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 3 L 8.30 4.99 0.00 1.42 1.48 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.21 4.59 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 1.31 0.00 0.00 5 K 8.92 3.65 0.00 2.03 1.95 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.72 1.95 7.81 6 C 8.15 4.40 0.00 2.98 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.85 3.90 0.00 2.15 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 2.31 2.29 0.00 8 V 7.78 3.50 1.79 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 0.75 0.00 0.00 0.07 0.00 0.00 9 F 7.93 3.96 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.53 4.18 0.00 2.01 2.03 0.00 3.48 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 11 E 8.61 4.23 0.00 1.87 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 2.32 2.32 0.00 12 L 7.47 4.48 0.00 1.55 1.40 0.68 0.45 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 13 K 8.02 3.90 0.00 1.97 1.81 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 D 7.89 4.46 0.00 2.57 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 15 L 7.71 4.01 0.00 1.39 1.34 -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.35 4.03 0.00 1.75 1.92 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 17 G 9.24 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 0.00 0.00 0.00 18 Y 7.44 3.90 0.00 2.97 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 19 G 8.60 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 0.00 0.00 0.00 20 G 8.52 3.91 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 0.00 0.00 0.00 21 V 7.43 3.88 1.76 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 0.94 0.00 0.00 0.11 0.00 0.00 22 S 8.65 4.63 0.00 4.12 4.06 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 0.00 0.00 0.00 23 L 8.28 4.00 0.00 1.55 0.91 0.90 0.68 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 24 P 0.00 4.40 0.00 2.24 2.32 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 25 E 7.76 3.78 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 26 W 7.73 4.29 0.00 3.29 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 27 V 7.95 3.68 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.75 0.00 0.00 28 C 7.70 2.45 0.00 1.68 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 29 T 8.10 3.76 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 1.24 0.00 0.00 30 T 8.07 3.95 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 0.95 0.00 0.00 31 F 7.72 3.44 0.00 2.74 2.87 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 32 H 7.57 4.03 0.00 3.17 3.28 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.46 4.33 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 1.49 0.00 0.00 34 S 7.90 4.48 0.00 3.95 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 35 G 8.53 3.58 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 0.00 0.00 0.00 0.00 36 Y 7.85 3.80 0.00 3.28 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 37 D 7.89 4.95 0.00 2.78 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 38 T 8.81 4.13 4.45 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 1.23 0.00 0.00 39 Q 8.26 4.81 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 40 A 8.03 4.21 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 41 I 8.30 4.90 1.82 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 1.01 0.89 0.71 0.00 0.00 42 V 8.66 4.33 2.19 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 0.91 0.00 0.00 0.90 0.00 0.00 43 Q 8.79 5.03 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 44 N 8.74 4.83 0.00 2.75 2.83 0.00 0.00 6.67 7.90 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 45 N 7.56 4.87 0.00 2.63 2.57 0.00 0.00 6.93 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.44 4.77 0.00 2.70 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 47 S 7.55 4.95 0.00 4.00 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 48 T 8.98 4.82 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 0.83 0.00 0.00 49 E 9.11 5.19 0.00 1.82 1.79 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 2.30 2.27 0.00 50 Y 9.36 5.00 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.97 4.56 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 52 L 8.56 4.03 0.00 1.54 1.42 0.89 0.07 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 53 F 8.22 4.75 0.00 3.07 3.38 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 54 Q 7.73 3.59 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 55 I 8.27 4.61 2.03 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.99 0.00 0.00 56 N 9.60 6.00 0.00 3.03 3.12 0.00 0.00 6.59 7.01 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 57 N 8.95 5.13 0.00 2.90 3.32 0.00 0.00 6.32 7.13 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 58 K 8.50 4.15 0.00 1.94 1.96 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.49 7.81 59 I 8.61 3.93 0.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 -0.27 0.00 0.00 60 W 8.00 4.58 0.00 3.67 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 61 C 7.85 5.65 0.00 2.97 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 62 K 8.99 4.38 0.00 1.82 1.64 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.39 7.81 63 D 8.45 5.13 0.00 2.86 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 64 D 9.13 4.56 0.00 2.71 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 65 Q 7.61 4.62 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 66 N 7.73 4.73 0.00 2.82 2.73 0.00 0.00 6.85 7.71 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 67 P 0.00 4.39 0.00 2.12 2.09 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 68 H 7.92 4.48 0.00 3.31 3.36 0.00 5.72 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 69 S 7.30 4.63 0.00 4.00 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 70 S 8.52 4.21 0.00 3.91 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 71 N 8.12 4.20 0.00 2.89 2.75 0.00 0.00 7.03 7.12 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 72 I 7.85 3.73 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 1.08 0.00 0.00 73 C 8.64 4.59 0.00 3.48 3.33 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 0.00 74 N 8.41 4.26 0.00 2.86 2.89 0.00 0.00 6.62 7.18 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 75 I 7.68 4.58 1.84 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 0.84 1.35 0.78 0.00 0.00 76 S 8.02 4.69 0.00 3.76 3.58 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 0.00 77 C 8.54 3.65 0.00 2.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.56 4.10 0.00 2.88 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 79 K 7.38 4.16 0.00 1.59 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.31 7.81 80 F 7.49 5.22 0.00 3.27 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 81 L 8.14 4.80 0.00 1.80 1.81 1.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.73 4.82 0.00 2.79 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 83 D 8.52 4.46 0.00 2.82 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 84 D 7.82 4.64 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.27 4.89 0.00 1.72 1.70 0.88 0.97 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 86 T 7.90 3.81 4.40 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 1.19 0.00 0.00 87 D 8.08 4.42 0.00 3.06 2.96 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 88 D 8.09 3.93 0.00 2.91 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 89 I 7.50 3.13 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.05 0.65 0.00 0.00 90 V 7.26 3.57 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 0.82 0.00 0.00 0.87 0.00 0.00 91 C 8.15 4.14 0.00 3.06 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 92 V 7.53 3.04 1.33 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 0.16 0.00 0.00 -0.37 0.00 0.00 93 K 7.32 3.72 0.00 1.66 1.35 0.00 1.35 0.00 0.00 1.13 0.00 0.00 2.38 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.98 7.81 94 K 7.89 4.07 0.00 1.96 1.98 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.48 7.81 95 I 7.14 2.94 1.44 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 -0.00 0.00 0.00 96 L 7.78 4.15 0.00 1.87 1.93 1.19 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.77 4.44 0.00 2.99 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 98 K 8.12 4.32 0.00 2.12 2.08 0.00 2.07 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.70 7.81 99 V 8.22 4.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.36 0.00 0.00 100 G 7.19 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 0.00 101 I 8.38 4.07 1.69 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.89 0.72 0.00 0.00 102 N 8.12 4.76 0.00 2.80 2.87 0.00 0.00 6.89 7.46 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 0.00 103 Y 7.93 3.87 0.00 2.66 2.40 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 0.00 104 W 8.27 4.52 0.00 3.75 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 0.00 105 L 8.43 4.03 0.00 1.67 1.70 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.12 4.06 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 0.00 107 H 8.06 3.87 0.00 3.13 3.39 0.00 5.60 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 0.00 108 K 7.97 3.94 0.00 1.97 1.84 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 109 A 7.68 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.18 4.70 0.00 1.58 1.60 0.67 0.82 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 0.00 111 C 8.19 4.94 0.00 2.77 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 0.00 112 S 7.99 4.29 0.00 3.83 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 0.00 113 E 7.38 4.64 0.00 2.03 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 0.00 2.19 2.25 0.00 114 K 8.58 3.83 0.00 1.98 1.94 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.47 7.81 115 L 7.51 4.76 0.00 1.81 1.83 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.08 4.50 0.00 2.73 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 0.00 117 Q 7.97 4.08 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.41 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 118 W 7.81 4.70 0.00 3.61 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.31 4.63 0.00 1.86 1.57 1.05 0.90 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 0.00 120 C 7.68 4.47 0.00 2.10 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 0.00 121 E 8.38 4.43 0.00 1.80 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 2.12 2.23 0.00 122 K 7.24 4.12 0.00 1.64 1.56 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.32 7.81