NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0515 8.3031 121.7514 56.4944 32.2589 174.9570 3 G 3.6937 8.1659 113.1088 42.5937 0.0000 169.8383 4 D 4.3968 8.4662 118.2268 54.2559 43.8175 175.3782 5 K 4.0095 8.5746 125.7532 59.0143 32.2700 179.0696 6 K 4.0663 9.1023 119.2366 58.2696 32.2776 179.2832 7 V 3.5097 7.7967 118.2344 66.1274 31.5106 177.8314 8 I 3.7269 7.7177 119.5180 64.5479 36.8861 178.2552 9 Q 3.9079 7.8041 120.1457 59.3471 28.8905 177.8196 10 H 4.1166 8.4722 117.6445 58.9447 28.7181 177.7720 11 L 4.0448 8.5429 121.0335 57.9414 41.3880 179.4016 12 N 4.4405 8.5069 116.6110 55.7269 38.3655 177.5424 13 K 3.9092 7.9439 121.4001 59.5124 32.3449 178.8220 14 I 3.6593 7.7132 120.0920 64.3588 37.0499 177.8627 15 L 4.0221 8.3352 121.6181 58.3925 41.9508 179.2076 16 G 3.6806 8.1718 105.3791 48.0711 0.0000 175.3611 17 N 4.3885 8.1213 118.7454 55.9438 38.5154 177.3529 18 E 4.0468 8.3438 120.0803 59.5368 29.4745 179.4512 19 L 4.0473 8.0323 118.8918 57.6265 41.6096 179.7496 20 I 3.6411 7.6258 119.1834 64.2932 37.0544 178.1979 21 A 3.2809 7.7645 121.4470 54.9439 18.1010 179.4396 22 I 3.5754 7.8968 118.6150 64.8831 37.2171 178.4357 23 N 4.3758 7.7754 117.0419 56.1064 38.3185 177.3922 24 Q 3.8668 7.9569 120.9172 59.5462 29.2084 178.0042 25 Y 4.7138 7.9309 119.2051 60.5537 37.8746 178.3488 26 F 4.0290 8.4307 121.7657 61.0278 39.5118 176.9556 27 L 3.9286 8.2094 119.9684 58.6745 41.9631 178.4590 28 H 3.8205 8.3906 116.4601 59.0388 28.5623 177.7103 29 S 4.4182 8.2981 114.7696 61.5587 62.1819 176.3929 30 R 3.9061 7.9121 120.5195 58.8140 29.7074 179.0093 31 M 3.4794 7.7323 118.9725 57.8572 31.8405 178.5572 32 W 4.6316 7.8223 119.0315 60.0070 29.1377 178.2912 33 N 4.3647 8.3827 116.2927 56.4264 37.7937 176.7341 34 D 4.3105 7.9744 118.3287 57.3209 41.3511 178.0131 35 W 4.7849 8.0782 116.7384 57.3646 29.2198 177.2747 36 G 3.9969 8.2827 107.4788 46.3043 0.0000 175.5601 37 L 4.5626 7.9984 122.3373 53.5056 38.6766 177.2583 38 K 4.0577 8.4998 121.8420 58.9494 32.6388 179.0395 39 R 3.8708 7.8458 118.8999 59.3574 30.0146 178.5924 40 L 3.8371 7.7559 118.5197 57.4047 41.4729 179.3818 41 G 3.8217 8.3312 105.6601 47.9337 0.0000 175.5936 42 A 4.0456 8.1810 123.4728 55.0487 18.4359 179.2445 43 H 3.8989 8.0950 116.3462 59.3580 29.6906 177.1530 44 E 3.9984 8.3602 121.2324 59.2701 29.4866 178.0318 45 Y 4.1663 8.3425 119.8458 60.9607 38.8172 177.5027 46 H 3.9263 8.3924 119.1371 59.4441 29.9072 176.8924 47 E 3.8435 8.1898 120.1586 59.4173 29.1602 179.2960 48 S 4.2521 8.2499 113.0473 61.6187 62.5237 176.3215 49 I 3.5614 7.5170 122.4073 64.2708 36.6633 178.0320 50 D 4.2605 8.0673 119.7853 57.6110 40.6153 178.9164 51 E 3.9848 8.1641 118.8523 59.5151 29.4342 179.1865 52 M 3.9979 8.2655 119.0969 58.4696 32.1110 178.9712 53 K 4.0569 8.0658 118.4809 59.3045 32.1899 179.1423 54 H 4.2264 8.3896 116.7571 58.8312 28.6276 177.3345 55 A 3.9675 8.1901 122.6258 55.3341 18.2290 178.7313 56 D 4.3144 8.0704 116.3148 57.9318 41.2136 179.0833 57 K 4.0289 7.9502 118.0080 59.2526 31.9574 179.5210 58 L 3.9813 8.0351 119.3165 57.8718 41.5631 179.2194 59 I 3.7064 8.0448 120.1652 64.8060 37.0750 178.3248 60 E 3.9877 8.3005 119.0246 59.2322 29.2779 179.3361 61 R 3.9831 8.1734 118.8006 59.5126 30.1544 178.5636 62 I 3.7189 8.1938 119.9390 64.4324 37.1568 178.2851 63 L 3.9899 8.1162 119.8041 57.9569 41.2701 179.4542 64 F 4.3457 8.0553 119.1885 61.1624 39.7911 176.3733 65 L 3.8835 8.0904 116.3281 54.4274 41.1979 177.0540 66 E 3.8236 7.9239 118.9046 57.0204 28.2796 174.2757 67 G 3.8876 7.9012 106.4641 43.7180 0.0000 173.6350 68 L 4.5302 7.9940 119.0047 52.0164 42.2515 175.1719 69 P 4.3580 0.0000 0.0000 62.4238 31.7397 176.1451 70 N 4.6116 9.3625 123.0099 52.7338 37.9777 173.9963 71 L 4.6162 8.2900 123.9809 54.4881 42.3183 177.3738 72 Q 4.1786 8.6690 122.3592 57.2821 29.5516 175.5804 73 D 4.6910 8.0609 117.5277 52.4103 42.0242 175.2885 74 L 4.5200 8.2987 125.8867 52.7709 43.5659 176.5059 75 G 3.8150 8.3300 116.7476 44.8977 0.0000 170.8969 76 K 4.1309 8.3689 120.9154 55.5463 32.6123 177.1455 77 L 4.0720 8.4312 126.9958 54.6765 42.0348 177.1513 78 L 4.4021 8.8519 125.2398 53.4152 40.5644 174.8918 79 I 4.3560 8.0279 123.5599 59.3043 38.6664 176.5041 80 G 4.0469 8.7219 114.7087 44.5495 0.0000 172.6827 81 E 4.6886 8.7921 115.7807 56.0434 31.2143 175.8219 82 N 4.9780 7.6464 116.4523 50.7442 41.6120 174.8701 83 T 4.3369 8.5333 114.3843 65.4774 67.5747 175.6446 84 Q 3.9555 8.1261 121.0183 59.2548 29.1146 177.9145 85 E 4.0024 8.6327 119.5634 59.7319 29.4419 179.2606 86 M 3.9282 8.4839 119.0839 58.3601 31.9164 178.8621 87 L 4.1294 8.3583 119.2946 57.9307 41.8183 179.4026 88 Q 4.1021 8.1369 119.2920 59.1247 28.9384 178.0305 89 C 4.2217 8.5951 118.4465 62.8239 28.2409 175.5052 90 D 4.6709 8.4569 120.6940 57.6523 40.5986 178.8276 91 L 4.0759 8.4964 121.0085 58.2238 41.9147 178.8119 92 N 4.4214 8.3394 116.6598 56.1495 38.4676 177.1929 93 L 4.0622 8.1082 121.8917 58.1425 42.3284 178.8537 94 E 4.1841 8.5189 118.6376 59.1660 29.2737 179.2106 95 L 4.1082 7.9668 119.0156 57.4380 41.7867 179.3111 96 K 4.0151 8.0372 119.4753 59.2518 32.0639 178.8492 97 A 4.3353 7.9646 122.6592 54.8041 18.2204 179.8225 98 T 3.8550 7.8988 114.1024 66.4188 68.6543 176.9160 99 K 3.9086 7.8602 121.4497 59.7649 32.2831 178.4787 100 D 4.4254 7.9916 118.7260 57.4532 40.7035 178.9124 101 L 4.0145 8.1130 119.5026 57.8272 41.6396 179.7830 102 R 3.9267 8.2212 118.1016 59.3406 29.9437 178.9341 103 E 3.9754 8.1513 117.8098 59.4227 29.5121 179.3550 104 A 3.5890 8.0368 120.7903 54.9205 18.3782 179.8454 105 I 3.6621 7.7583 118.5629 64.2603 37.1260 178.4340 106 V 3.5698 7.7699 119.2255 66.6124 31.3935 177.5922 107 H 3.9950 7.9539 117.2359 59.3741 29.5616 176.9707 108 C 4.0887 8.0267 118.4543 62.6342 28.0592 175.6167 109 E 3.8621 8.2404 120.8513 59.4830 29.0706 178.7242 110 Q 3.9889 8.0714 118.0834 58.2772 29.0723 177.6343 111 V 4.0729 7.0959 109.9466 60.4446 32.1519 175.2902 112 H 3.1419 7.3161 113.9327 57.1947 26.5981 176.1962 113 D 4.5424 7.5137 120.8683 53.5438 38.7481 175.3675 114 Y 4.3702 7.5995 121.3739 59.8571 38.5854 177.2899 115 V 3.6968 7.8376 119.4290 65.9089 31.7694 178.0126 116 S 4.1340 8.4531 114.9955 61.5260 62.6385 176.3434 117 R 3.8977 7.8897 121.2597 59.7119 29.7462 177.8808 118 D 4.3434 8.1144 117.4561 57.3080 41.2166 177.9475 119 L 3.9609 7.8704 120.5368 58.2243 42.1023 179.0419 120 L 4.0175 8.0146 118.9330 57.5911 41.4800 179.5362 121 K 3.9949 8.4663 118.9342 59.5875 31.8609 179.0736 122 D 4.3548 8.2376 119.1053 57.4399 40.6852 179.0272 123 I 3.5191 7.7811 120.2855 64.0990 37.0255 178.1467 124 L 3.9140 8.3947 121.5880 58.1283 41.8857 178.4599 125 E 3.8962 8.4558 119.5452 59.5691 29.5259 178.8953 126 S 4.0918 7.8973 112.8771 61.3611 62.4317 175.9088 127 E 3.9858 8.3830 121.4630 59.4499 29.0799 179.2062 128 E 4.0283 8.5025 118.8619 59.2598 29.4091 179.1270 129 E 4.0159 8.2302 118.7776 59.7920 29.4877 179.0498 130 H 4.3738 8.2754 116.0992 59.1044 28.8299 177.9283 131 I 3.7770 8.0661 121.5591 64.3366 36.9102 177.8319 132 D 4.3335 8.4589 119.2114 57.5333 41.0416 177.6504 133 Y 4.1013 8.4417 120.1686 60.8265 38.8206 178.1268 134 L 3.6017 8.3056 120.0566 57.8280 41.6990 179.4930 135 E 3.9154 8.6725 118.7696 59.5392 29.3099 179.4106 136 T 3.7877 7.9449 115.8512 66.7138 68.4478 176.5810 137 Q 3.6978 7.6491 119.5852 58.8964 28.1992 178.6700 138 L 3.8450 7.5809 120.0269 57.8024 41.6185 179.9716 139 G 3.5558 8.1452 105.5567 47.7266 0.0000 175.6684 140 L 3.9896 8.1544 121.9155 57.6747 41.5665 179.5827 141 I 3.5612 7.6704 119.9810 64.5384 36.7065 178.4913 142 Q 4.0105 7.3722 117.1621 58.6648 28.6537 178.3847 143 K 4.1536 8.1015 118.8609 58.6720 32.3100 178.8983 144 V 4.2385 8.2631 109.8754 59.8391 33.0829 177.0535 145 G 4.0932 7.5030 104.9794 45.8218 0.0000 174.5430 146 L 3.9767 8.4394 122.1747 58.0921 42.1377 179.4149 147 E 3.9828 8.1161 118.0856 59.3679 29.3993 178.8583 148 N 4.2945 8.1252 116.0942 56.3709 38.4620 176.4122 149 Y 3.9742 7.9506 119.6978 60.9051 39.1549 178.0947 150 L 4.0769 8.3437 120.0338 57.6654 41.8057 179.1746 151 Q 3.9018 8.2406 119.6776 59.3686 28.8443 178.3777 152 S 4.3073 8.0442 113.5466 60.1891 63.0397 174.4619 153 H 4.6655 7.6990 118.4694 55.6636 29.8477 175.8058 154 M 4.0597 8.0849 121.0631 58.3720 31.9389 175.8235 155 H 5.1967 7.6379 114.0373 53.8444 30.6413 174.9097 156 E 4.1288 8.7458 122.3320 56.7362 29.2941 176.7400 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 2 K 8.30 4.05 0.00 1.65 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.34 7.81 3 G 8.17 3.69 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 0.00 0.00 0.00 4 D 8.47 4.40 0.00 2.77 2.51 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 5 K 8.57 4.01 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.45 7.81 6 K 9.10 4.07 0.00 1.64 1.69 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 7 V 7.80 3.51 2.16 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 1.08 0.00 0.00 0.89 0.00 0.00 8 I 7.72 3.73 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.89 0.00 0.00 9 Q 7.80 3.91 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 10 H 8.47 4.12 0.00 3.39 3.30 0.00 5.68 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 8.54 4.04 0.00 1.76 1.73 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.44 0.00 2.93 2.85 0.00 0.00 6.63 8.56 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 13 K 7.94 3.91 0.00 1.82 1.93 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.71 3.66 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.71 0.92 0.00 0.00 15 L 8.34 4.02 0.00 1.78 1.88 0.92 0.95 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 16 G 8.17 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 0.00 0.00 0.00 17 N 8.12 4.39 0.00 3.01 2.88 0.00 0.00 7.03 7.74 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 18 E 8.34 4.05 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 19 L 8.03 4.05 0.00 1.77 1.68 0.90 0.68 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 20 I 7.63 3.64 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 1.07 0.89 0.00 0.00 21 A 7.76 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.90 3.58 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.86 0.00 0.00 23 N 7.78 4.38 0.00 2.72 2.83 0.00 0.00 6.72 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 24 Q 7.96 3.87 0.00 2.05 1.90 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 2.63 2.28 0.00 25 Y 7.93 4.71 0.00 3.06 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 26 F 8.43 4.03 0.00 3.30 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 27 L 8.21 3.93 0.00 1.83 1.79 0.87 0.91 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 3.82 0.00 3.41 2.81 0.00 5.69 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 29 S 8.30 4.42 0.00 4.09 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 30 R 7.91 3.91 0.00 1.94 1.85 0.00 2.90 0.00 0.00 2.47 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 31 M 7.73 3.48 0.00 0.82 1.61 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 32 W 7.82 4.63 0.00 3.69 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 33 N 8.38 4.36 0.00 2.88 2.85 0.00 0.00 6.68 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 34 D 7.97 4.31 0.00 2.54 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 35 W 8.08 4.78 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 8.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.00 4.56 0.00 2.12 1.65 1.29 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.50 4.06 0.00 2.03 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.61 7.81 39 R 7.85 3.87 0.00 1.84 1.91 0.00 3.26 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 40 L 7.76 3.84 0.00 1.32 0.21 0.53 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.33 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 42 A 8.18 4.05 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 43 H 8.10 3.90 0.00 3.31 3.19 0.00 5.59 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 44 E 8.36 4.00 0.00 2.56 2.36 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 2.78 2.69 0.00 45 Y 8.34 4.17 0.00 3.07 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 46 H 8.39 3.93 0.00 3.23 3.38 0.00 5.84 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 47 E 8.19 3.84 0.00 2.09 1.83 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 2.36 2.19 0.00 48 S 8.25 4.25 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 49 I 7.52 3.56 1.75 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.47 0.79 0.00 0.00 50 D 8.07 4.26 0.00 2.97 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 51 E 8.16 3.98 0.00 2.08 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 2.75 2.57 0.00 52 M 8.27 4.00 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.53 0.00 53 K 8.07 4.06 0.00 1.92 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.63 7.81 54 H 8.39 4.23 0.00 3.46 3.44 0.00 5.65 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 8.19 3.97 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 8.07 4.31 0.00 2.91 2.86 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 57 K 7.95 4.03 0.00 1.89 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 8.04 3.98 0.00 1.87 1.72 0.98 0.73 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 59 I 8.04 3.71 2.04 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 1.52 0.68 0.92 0.00 0.00 60 E 8.30 3.99 0.00 2.17 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 2.33 2.53 0.00 61 R 8.17 3.98 0.00 2.05 2.10 0.00 3.32 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 1.68 1.80 0.00 62 I 8.19 3.72 2.08 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 1.53 0.51 0.91 0.00 0.00 63 L 8.12 3.99 0.00 1.98 1.79 0.97 0.91 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 64 F 8.06 4.35 0.00 2.96 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 65 L 8.09 3.88 0.00 1.82 1.59 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.92 3.82 0.00 1.98 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 2.14 2.24 0.00 67 G 7.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.99 4.53 0.00 1.61 1.61 0.91 0.99 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 69 P 0.00 4.36 0.00 2.03 1.99 0.00 3.66 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 2.03 2.07 0.00 70 N 9.36 4.61 0.00 2.61 2.81 0.00 0.00 7.11 7.77 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 71 L 8.29 4.62 0.00 1.61 1.62 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.67 4.18 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.06 4.69 0.00 2.68 2.57 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 74 L 8.30 4.52 0.00 1.51 1.52 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.33 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 76 K 8.37 4.13 0.00 1.71 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.43 4.07 0.00 1.64 1.57 0.88 1.00 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 78 L 8.85 4.40 0.00 1.81 1.69 1.00 0.96 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 79 I 8.03 4.36 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.91 0.00 0.00 80 G 8.72 4.05 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 0.00 0.00 0.00 81 E 8.79 4.69 0.00 2.14 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 2.73 2.19 0.00 82 N 7.65 4.98 0.00 2.88 2.85 0.00 0.00 5.90 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 8.53 4.34 5.45 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 1.55 0.00 0.00 84 Q 8.13 3.96 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 85 E 8.63 4.00 0.00 2.24 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 2.35 2.50 0.00 86 M 8.48 3.93 0.00 1.24 2.08 0.00 0.00 0.00 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.15 0.00 87 L 8.36 4.13 0.00 1.72 1.71 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.14 4.10 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.60 4.22 0.00 3.32 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 90 D 8.46 4.67 0.00 2.96 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 91 L 8.50 4.08 0.00 1.80 1.85 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.34 4.42 0.00 3.00 2.89 0.00 0.00 6.61 6.28 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 93 L 8.11 4.06 0.00 2.00 1.96 0.93 1.01 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 94 E 8.52 4.18 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.66 0.00 95 L 7.97 4.11 0.00 1.91 1.74 0.95 0.37 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 96 K 8.04 4.02 0.00 1.85 2.06 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 7.96 4.34 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 98 T 7.90 3.86 4.54 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 1.24 0.00 0.00 99 K 7.86 3.91 0.00 1.79 1.97 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 7.99 4.43 0.00 2.94 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 0.00 101 L 8.11 4.01 0.00 1.94 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.22 3.93 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 103 E 8.15 3.98 0.00 2.23 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 2.35 2.49 0.00 104 A 8.04 3.59 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 0.00 105 I 7.76 3.66 2.01 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 1.41 0.81 0.93 0.00 0.00 106 V 7.77 3.57 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 1.05 0.00 0.00 1.01 0.00 0.00 107 H 7.95 3.99 0.00 3.15 3.29 0.00 5.66 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 8.03 4.09 0.00 3.18 3.13 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 0.00 109 E 8.24 3.86 0.00 2.22 2.16 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 2.37 2.45 0.00 110 Q 8.07 3.99 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 111 V 7.10 4.07 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 0.83 0.00 0.00 0.96 0.00 0.00 112 H 7.32 3.14 0.00 3.23 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.51 4.54 0.00 2.61 2.46 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 0.00 114 Y 7.60 4.37 0.00 3.11 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 0.00 115 V 7.84 3.70 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 116 S 8.45 4.13 0.00 4.12 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 0.00 117 R 7.89 3.90 0.00 1.95 2.21 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 118 D 8.11 4.34 0.00 3.15 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 0.00 119 L 7.87 3.96 0.00 1.97 1.86 0.93 0.56 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 0.00 120 L 8.01 4.02 0.00 1.88 1.69 0.91 0.81 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 8.47 3.99 0.00 2.05 1.87 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.36 7.81 122 D 8.24 4.35 0.00 2.84 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 0.00 123 I 7.78 3.52 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.55 0.77 0.00 0.00 124 L 8.39 3.91 0.00 1.80 1.85 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.46 3.90 0.00 2.15 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 2.32 2.34 0.00 126 S 7.90 4.09 0.00 3.91 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 0.00 127 E 8.38 3.99 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 128 E 8.50 4.03 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 2.35 2.37 0.00 129 E 8.23 4.02 0.00 2.22 2.07 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 2.37 2.57 0.00 130 H 8.28 4.37 0.00 3.49 3.44 0.00 5.64 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 0.00 131 I 8.07 3.78 2.07 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 1.47 0.72 0.97 0.00 0.00 132 D 8.46 4.33 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.44 4.10 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.31 3.60 0.00 1.80 1.66 1.04 0.95 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 0.00 135 E 8.67 3.92 0.00 1.93 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 2.31 2.62 0.00 136 T 7.94 3.79 4.34 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 1.19 0.00 0.00 137 Q 7.65 3.70 0.00 1.78 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 1.36 1.88 0.00 138 L 7.58 3.84 0.00 1.88 1.62 0.82 1.04 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 0.00 139 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 0.00 140 L 8.15 3.99 0.00 1.74 1.89 1.04 0.70 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 0.00 141 I 7.67 3.56 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.27 0.82 0.00 0.00 142 Q 7.37 4.01 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 143 K 8.10 4.15 0.00 1.84 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 144 V 8.26 4.24 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 0.79 0.00 0.00 1.12 0.00 0.00 145 G 7.50 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 0.00 146 L 8.44 3.98 0.00 1.76 1.68 0.95 0.93 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 0.00 147 E 8.12 3.98 0.00 2.05 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 2.39 2.39 0.00 148 N 8.13 4.29 0.00 2.94 2.88 0.00 0.00 6.74 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 7.95 3.97 0.00 3.03 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.34 4.08 0.00 1.73 1.71 0.93 1.18 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 0.00 151 Q 8.24 3.90 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 152 S 8.04 4.31 0.00 3.78 3.63 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 0.00 0.00 0.00 0.00 153 H 7.70 4.67 0.00 2.88 3.02 0.00 5.81 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 0.00 154 M 8.08 4.06 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 155 H 7.64 5.20 0.00 3.09 3.17 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 0.00 156 E 8.75 4.13 0.00 1.95 1.85 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 2.30 2.30 0.00