NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7510 8.4249 118.0711 52.4888 40.2281 173.8255 4 K 3.6041 7.8109 115.5096 57.1731 33.6289 174.0425 5 I 4.8232 8.7130 126.3207 60.3335 39.6349 174.0148 6 I 4.7792 8.7928 127.4239 59.2610 40.4971 173.2915 7 Y 5.3990 8.7704 131.1546 56.0357 41.1504 174.1250 8 F 4.8900 9.2234 127.1038 56.3576 40.6381 175.0674 9 L 5.4563 8.7520 123.8947 52.3930 45.2270 175.3901 10 C 4.9298 8.1730 120.9814 58.5368 35.4482 174.0614 11 T 3.8524 8.9352 115.5182 66.2211 69.2087 174.4206 12 G 5.0341 7.8910 108.2475 43.7731 0.0000 170.7035 13 N 5.7066 8.4531 112.1924 52.1162 39.2284 173.9526 14 S 4.7733 8.0034 114.1605 58.4706 64.8749 173.2408 15 C 4.9197 7.3432 114.0920 60.1488 31.5863 175.9435 16 R 3.9038 8.4473 119.8780 60.0330 30.3904 179.0339 17 S 4.1625 8.0547 113.1103 61.4734 63.0517 176.3142 18 Q 4.0408 8.0070 121.3125 58.9986 28.4993 178.2052 19 M 4.0010 8.3837 119.8145 58.0355 31.9492 178.6482 20 A 3.8329 8.0898 121.1995 54.9576 18.4883 179.2336 21 E 3.9484 8.0746 117.9824 59.2876 29.4394 179.2784 22 G 3.4810 7.9607 105.6837 47.6556 0.0000 175.7520 23 W 4.3823 8.3707 121.9401 59.3533 28.9909 178.5067 24 A 4.2062 8.5705 121.2218 55.2196 17.6571 179.6591 25 K 4.0647 8.1717 115.3504 58.5399 32.1152 178.3659 26 Q 4.3009 7.2563 119.2465 58.1060 29.7268 176.5141 27 Y 4.5956 8.1322 116.8035 59.3918 38.5541 176.2317 28 L 4.5264 7.8128 119.0731 53.6945 42.9175 176.8848 29 G 4.3620 8.6399 109.9478 44.6365 0.0000 174.3217 30 D 4.6053 8.6437 118.9904 56.4709 40.8223 177.9296 31 E 4.1002 8.2356 117.2205 58.1003 30.7365 176.6256 32 W 5.0497 8.1604 120.4285 55.2939 31.0776 175.8286 33 K 4.4332 9.5981 126.0126 54.7859 33.6462 174.7887 34 V 4.8141 8.2807 128.0328 61.9817 32.6361 174.5029 35 Y 5.4150 9.0379 124.7544 56.5132 42.2478 174.4815 36 S 5.4587 8.8239 114.2450 57.5438 66.8319 172.4069 37 A 4.6374 8.6486 121.1821 51.6165 23.2396 175.2098 38 G 4.5125 8.5208 105.6041 43.1643 0.0000 174.4084 39 I 4.0853 8.3002 121.5978 63.4857 37.7275 176.3576 40 E 4.9483 8.5160 118.3199 54.5042 33.5388 175.0621 41 A 4.9396 8.5095 122.4297 51.4169 21.7748 175.6944 42 H 4.7791 9.1940 117.8156 55.1077 30.4669 173.3734 43 G 4.1773 8.3054 107.2560 43.9880 0.0000 173.7875 44 L 4.1294 8.2597 120.3484 54.5144 42.4417 176.4740 45 N 4.7147 8.7357 121.9626 52.0823 39.7694 174.1458 46 P 4.2808 0.0000 0.0000 65.9032 31.3062 178.4326 47 N 4.1768 8.7887 115.5424 55.8986 38.2703 177.3734 48 A 4.1678 8.0755 121.9894 55.0117 18.5986 179.6597 49 V 3.5074 7.7844 116.8461 66.0080 31.5902 178.1693 50 K 3.9397 8.3427 119.3613 59.4648 31.8109 178.5541 51 A 4.1629 8.3321 120.4015 55.6531 18.6105 179.2940 52 M 3.9217 8.1720 117.1442 58.0923 31.9730 178.8604 53 K 3.9877 8.1365 119.9989 59.3488 32.1127 178.2526 54 E 4.2104 8.0474 118.0252 57.9731 29.5167 177.5110 55 V 4.2412 7.4237 110.7289 61.1804 32.0880 176.2935 56 G 3.8511 8.1682 106.9582 45.6553 0.0000 173.5897 57 I 4.1601 7.3260 119.4288 58.9978 39.1754 174.5178 58 D 4.6251 8.5636 125.3239 52.9614 41.3628 175.3161 59 I 4.3783 7.9695 119.4584 60.4318 38.0044 177.5801 60 S 4.1672 8.2773 117.2014 61.1276 62.6958 174.7313 61 N 4.7730 7.9008 116.0512 52.9337 38.9535 175.0149 62 Q 4.1974 7.7630 118.7851 55.8553 29.3604 176.1825 63 T 4.2704 8.2580 111.6873 60.9185 70.2527 174.1019 64 S 4.6528 8.4430 116.9877 56.8636 63.2781 172.7161 65 D 5.1288 8.3688 126.5958 52.6210 45.0473 175.2012 66 I 4.7838 8.1774 120.6618 59.6105 39.3106 175.4833 67 I 3.7327 7.9214 124.2255 62.0218 38.4481 174.5266 68 D 4.9370 9.2073 128.4321 52.2277 42.9826 176.7850 69 S 4.1645 8.8190 123.1092 62.0094 62.6223 176.4394 70 D 4.3291 8.1798 120.6048 56.9904 40.8618 178.6295 71 I 3.7234 7.5509 119.9449 63.8474 37.1291 177.5877 72 L 4.1394 7.8766 120.1179 58.6138 42.0399 178.6692 73 N 4.6168 8.4095 114.1771 54.8935 38.5151 175.5484 74 N 4.9043 7.5221 115.4343 52.6099 39.5915 174.4621 75 A 4.3266 7.7637 121.1439 51.9455 19.6080 177.6826 76 D 4.6372 9.0556 120.6822 56.7336 42.6916 176.3046 77 L 5.1486 7.8935 119.3543 53.4569 46.1177 174.6903 78 V 4.5966 8.8233 126.2265 61.0409 34.1474 174.1140 79 V 4.3921 8.2144 128.8425 61.1116 33.2987 174.4621 80 T 4.7029 8.1793 119.0316 61.0387 70.6320 175.2403 81 L 5.1488 8.7984 123.3131 54.8128 43.2588 175.7033 82 C 4.8980 7.7790 112.5135 55.8615 32.0237 175.0136 83 G 3.6725 8.6305 107.9398 48.0285 0.0000 175.4250 84 D 4.4682 8.1197 119.5187 57.2664 41.3469 178.1297 85 A 3.9936 7.9903 120.5632 55.0386 18.2349 179.2845 86 A 3.9691 7.7731 118.3398 55.4413 18.5301 179.2647 87 D 4.4455 8.3817 116.9263 56.8791 41.0044 178.2526 88 K 4.3627 7.5327 115.6515 55.5229 32.9509 176.4144 89 C 4.2463 7.4751 120.9351 58.1765 32.0238 171.5972 90 P 4.4561 0.0000 0.0000 62.2107 31.6805 175.8215 91 M 4.1982 8.4243 120.1227 55.9136 32.7507 175.5811 92 T 4.7393 8.0072 113.9526 58.6540 72.0094 171.9928 93 P 4.3377 0.0000 0.0000 62.3382 31.9398 175.6938 94 P 4.2643 0.0000 0.0000 66.2543 31.4208 177.6812 95 H 4.2390 8.2505 113.9135 58.3993 28.8557 175.7133 96 V 3.8505 7.7425 120.3778 62.5589 31.6211 176.4500 97 K 4.3978 8.8818 128.1087 56.4595 33.4659 176.3146 98 R 5.0213 8.4598 121.0575 54.5198 33.5640 174.6600 99 E 4.7547 8.7906 122.0813 54.7452 33.7921 174.5750 100 H 4.9733 8.9158 119.7168 53.2219 30.9957 173.2100 101 W 4.9841 8.9769 123.5426 55.0042 32.1924 175.9281 102 G 4.0982 7.6500 107.0953 45.0537 0.0000 172.3753 103 F 5.1113 8.7605 123.0310 55.5771 43.1307 174.7809 104 D 4.5021 8.8716 121.6953 54.2387 41.5993 176.0385 105 D 4.6002 8.6026 121.9936 52.6752 40.9920 175.3411 106 P 3.6814 0.0000 0.0000 65.1072 31.3581 178.3476 107 A 4.1710 7.9753 121.0724 54.1694 18.3231 178.0778 108 R 4.3646 7.3789 113.0857 55.5135 30.5279 176.4335 109 A 3.4562 7.0696 121.7580 52.1489 18.6418 177.5244 110 Q 4.5439 8.1827 119.7174 54.2035 31.8448 174.4355 111 G 4.2147 8.7495 103.0225 45.3361 0.0000 173.8627 112 T 4.2404 8.5772 109.5777 61.2494 70.9672 174.8996 113 E 4.0216 8.6403 120.2333 59.6799 29.4299 179.5053 114 E 4.1393 8.2050 118.1993 59.1996 29.6974 178.8379 115 E 4.0952 8.0577 119.7186 59.1993 29.8033 178.9938 116 K 4.1975 8.5744 118.9603 59.0629 32.1197 179.2239 117 W 4.5153 8.7850 128.7646 60.6402 30.6719 177.8673 118 A 4.1724 8.2853 122.0934 54.4879 17.6983 179.4180 119 F 3.8825 8.2168 118.7904 61.4609 39.4110 177.4131 120 F 3.9648 8.3231 117.3544 60.6607 38.2189 177.7058 121 Q 3.7524 7.8428 117.6687 58.6218 28.3762 178.8128 122 R 3.7856 7.9932 119.7815 59.4686 30.1507 178.7576 123 V 3.6832 7.7513 118.0712 65.8301 31.4502 177.7249 124 R 3.9848 8.1739 118.6406 59.9130 29.8816 178.3420 125 D 4.3370 8.2809 118.3819 57.1497 40.7186 178.7073 126 E 3.9077 8.2962 119.4370 59.3510 29.5046 179.4042 127 I 3.1336 7.6312 120.0383 64.0146 37.1154 178.7234 128 G 2.1178 7.5748 106.5683 47.2465 0.0000 175.2817 129 N 4.0333 7.9258 119.6694 56.1708 38.9179 177.0316 130 R 3.5775 7.7038 120.2909 59.0727 30.0020 178.4888 131 L 4.1826 7.7385 118.8855 57.2877 41.5718 179.2924 132 K 3.0239 7.3840 119.8704 58.9524 31.9200 178.4778 133 E 3.7758 7.7747 119.5318 59.1512 29.5435 178.5586 134 F 4.1204 8.1887 120.4500 61.3450 39.2870 176.9753 135 A 4.0480 8.2167 119.6263 54.9703 18.1972 178.9177 136 E 4.1544 7.9875 116.3715 58.1773 29.9227 178.0801 137 T 4.4465 7.9903 107.6395 60.4961 70.2650 175.5658 138 G 3.5406 8.0427 109.4034 45.3450 0.0000 173.7467 139 K 4.4114 7.8292 124.3434 56.4751 32.8782 175.9939 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 N 8.42 4.75 0.00 2.54 2.76 0.00 0.00 6.94 6.73 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 4 K 7.81 3.60 0.00 1.09 1.38 0.00 1.18 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.15 7.81 5 I 8.71 4.82 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 1.04 0.00 0.00 6 I 8.79 4.78 1.56 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.82 0.86 0.00 0.00 7 Y 8.77 5.40 0.00 2.86 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 8 F 9.22 4.89 0.00 3.04 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 9 L 8.75 5.46 0.00 1.36 1.33 0.67 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.17 4.93 0.00 2.99 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 11 T 8.94 3.85 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 12 G 7.89 5.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.45 5.71 0.00 2.83 2.74 0.00 0.00 7.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.00 4.77 0.00 3.99 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 15 C 7.34 4.92 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.45 3.90 0.00 1.89 2.03 0.00 3.30 0.00 0.00 3.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 17 S 8.05 4.16 0.00 4.10 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 18 Q 8.01 4.04 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 19 M 8.38 4.00 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 20 A 8.09 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.07 3.95 0.00 2.22 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 2.35 2.44 0.00 22 G 7.96 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.37 4.38 0.00 3.42 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 24 A 8.57 4.21 1.49 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 0.00 0.00 25 K 8.17 4.06 0.00 1.76 1.91 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.68 7.81 26 Q 7.26 4.30 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 27 Y 8.13 4.60 0.00 3.13 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 28 L 7.81 4.53 0.00 1.87 1.75 0.58 1.28 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 29 G 8.64 4.36 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 30 D 8.64 4.61 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.24 4.10 0.00 1.77 2.10 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 1.78 1.75 0.00 32 W 8.16 5.05 0.00 3.27 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 33 K 9.60 4.43 0.00 1.77 1.73 0.00 1.26 0.00 0.00 1.44 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 0.66 7.81 34 V 8.28 4.81 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 1.13 0.00 0.00 1.07 0.00 0.00 35 Y 9.04 5.41 0.00 2.98 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 36 S 8.82 5.46 0.00 4.08 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 37 A 8.65 4.64 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 38 G 8.52 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.30 4.09 2.00 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 1.45 0.84 0.91 0.00 0.00 40 E 8.52 4.95 0.00 2.14 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 2.18 2.57 0.00 41 A 8.51 4.94 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 42 H 9.19 4.78 0.00 3.06 3.30 0.00 5.87 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 43 G 8.31 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 0.00 0.00 0.00 0.00 44 L 8.26 4.13 0.00 1.67 1.64 1.00 1.02 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 45 N 8.74 4.71 0.00 2.85 2.91 0.00 0.00 7.01 7.83 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 46 P 0.00 4.28 0.00 2.15 2.06 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 47 N 8.79 4.18 0.00 1.99 1.52 0.00 0.00 6.83 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 48 A 8.08 4.17 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 49 V 7.78 3.51 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 0.96 0.00 0.00 0.97 0.00 0.00 50 K 8.34 3.94 0.00 1.90 2.06 0.00 1.37 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.49 1.35 7.81 51 A 8.33 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.17 3.92 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 53 K 8.14 3.99 0.00 1.91 2.00 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 54 E 8.05 4.21 0.00 2.31 2.24 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 2.43 2.48 0.00 55 V 7.42 4.24 2.11 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 0.84 0.00 0.00 0.46 0.00 0.00 56 G 8.17 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 0.00 0.00 0.00 57 I 7.33 4.16 1.46 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.37 0.67 0.00 0.00 58 D 8.56 4.63 0.00 2.55 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 59 I 7.97 4.38 2.00 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 1.40 0.63 0.79 0.00 0.00 60 S 8.28 4.17 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.90 4.77 0.00 2.72 2.89 0.00 0.00 6.96 7.69 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 62 Q 7.76 4.20 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 63 T 8.26 4.27 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 1.25 0.00 0.00 64 S 8.44 4.65 0.00 3.86 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 65 D 8.37 5.13 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.78 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 1.21 0.54 1.02 0.00 0.00 67 I 7.92 3.73 1.83 0.00 0.00 1.00 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 0.68 0.92 0.00 0.00 68 D 9.21 4.94 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 69 S 8.82 4.16 0.00 3.90 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 70 D 8.18 4.33 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 71 I 7.55 3.72 1.37 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.81 -0.24 0.00 0.00 72 L 7.88 4.14 0.00 1.93 1.92 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.41 4.62 0.00 2.80 2.86 0.00 0.00 6.91 7.86 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 74 N 7.52 4.90 0.00 2.78 2.77 0.00 0.00 6.95 6.87 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 75 A 7.76 4.33 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 0.00 0.00 76 D 9.06 4.64 0.00 2.85 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.89 5.15 0.00 1.92 1.56 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.82 4.60 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 0.75 0.00 0.00 1.01 0.00 0.00 79 V 8.21 4.39 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 -0.39 0.00 0.00 -0.03 0.00 0.00 80 T 8.18 4.70 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 1.09 0.00 0.00 81 L 8.80 5.15 0.00 1.75 2.07 1.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.78 4.90 0.00 3.09 3.06 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 83 G 8.63 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.12 4.47 0.00 2.81 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 85 A 7.99 3.99 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 86 A 7.77 3.97 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 87 D 8.38 4.45 0.00 2.83 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 88 K 7.53 4.36 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.55 7.81 89 C 7.48 4.25 0.00 3.07 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 90 P 0.00 4.46 0.00 2.09 1.97 0.00 3.73 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 2.03 2.07 0.00 91 M 8.42 4.20 0.00 1.98 1.97 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 2.59 2.54 0.00 92 T 8.01 4.74 4.26 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 1.30 0.00 0.00 93 P 0.00 4.34 0.00 2.20 2.01 0.00 3.64 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 2.29 2.12 0.00 94 P 0.00 4.26 0.00 2.11 2.18 0.00 3.69 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 2.06 2.16 0.00 95 H 8.25 4.24 0.00 3.09 3.40 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.74 3.85 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 0.81 0.00 0.00 1.04 0.00 0.00 97 K 8.88 4.40 0.00 1.95 1.76 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.48 7.81 98 R 8.46 5.02 0.00 1.65 1.69 0.00 3.26 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 99 E 8.79 4.75 0.00 1.49 1.59 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 2.28 2.26 0.00 100 H 8.92 4.97 0.00 2.99 3.25 0.00 5.91 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.98 4.98 0.00 3.40 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 0.00 102 G 7.65 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 0.00 103 F 8.76 5.11 0.00 2.98 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 0.00 104 D 8.87 4.50 0.00 2.83 2.93 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 0.00 105 D 8.60 4.60 0.00 2.69 2.55 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 0.00 0.00 0.00 0.00 106 P 0.00 3.68 0.00 0.49 1.86 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 107 A 7.98 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.38 4.36 0.00 1.70 1.86 0.00 3.14 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 109 A 7.07 3.46 0.36 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 0.00 110 Q 8.18 4.54 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 111 G 8.75 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.58 4.24 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 1.24 0.00 0.00 113 E 8.64 4.02 0.00 2.02 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 2.42 2.35 0.00 114 E 8.21 4.14 0.00 2.06 2.11 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 2.44 2.35 0.00 115 E 8.06 4.10 0.00 2.06 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 0.00 2.43 2.45 0.00 116 K 8.57 4.20 0.00 2.15 2.06 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.77 7.81 117 W 8.78 4.52 0.00 3.48 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.29 4.17 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.22 3.88 0.00 3.35 3.12 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 0.00 120 F 8.32 3.96 0.00 3.12 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 0.00 121 Q 7.84 3.75 0.00 2.01 1.96 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 1.75 1.32 0.00 122 R 7.99 3.79 0.00 1.77 1.84 0.00 2.91 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 123 V 7.75 3.68 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 0.90 0.00 0.00 0.93 0.00 0.00 124 R 8.17 3.98 0.00 2.04 2.18 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.83 0.00 125 D 8.28 4.34 0.00 2.98 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 0.00 126 E 8.30 3.91 0.00 2.23 2.25 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 2.32 2.56 0.00 127 I 7.63 3.13 1.82 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 -0.30 -0.13 0.78 0.00 0.00 128 G 7.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.93 4.03 0.00 2.82 2.64 0.00 0.00 6.87 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 0.00 130 R 7.70 3.58 0.00 1.85 1.68 0.00 2.66 0.00 0.00 2.64 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 131 L 7.74 4.18 0.00 1.90 1.84 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.38 3.02 0.00 1.06 1.55 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.01 7.81 133 E 7.77 3.78 0.00 1.93 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 2.25 2.23 0.00 134 F 8.19 4.12 0.00 3.43 3.35 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 0.00 135 A 8.22 4.05 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 0.00 136 E 7.99 4.15 0.00 1.89 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 2.26 2.43 0.00 137 T 7.99 4.45 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 138 G 8.04 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.83 4.41 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81