NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1968 8.3031 120.1158 56.3381 34.1975 176.3828 3 G 3.5471 7.5893 106.3094 44.0139 0.0000 171.8208 4 D 4.4691 8.5480 120.3221 53.5685 44.0131 175.8604 5 K 3.9771 8.5790 127.0563 59.5754 32.3001 179.2786 6 K 4.1110 8.0959 118.4063 58.8897 32.0283 179.1314 7 V 3.6761 8.2575 118.9121 66.3838 31.3347 178.0260 8 I 3.7668 7.7489 119.1991 64.6743 36.9344 178.4898 9 Q 3.9597 8.1205 118.7340 59.1256 28.4154 178.5001 10 H 4.1491 8.5268 117.6257 58.8515 28.6859 177.7441 11 L 4.0042 8.4890 121.0824 58.0932 41.4070 179.4819 12 N 4.3407 8.5072 116.5401 55.9606 38.4171 177.5004 13 K 3.9613 8.0646 121.3364 59.4172 32.2140 179.0140 14 I 3.7170 8.0264 120.3615 64.1677 37.0489 177.9379 15 L 4.0249 8.2728 121.6540 58.2665 41.9875 179.1222 16 G 3.7237 8.3917 105.8142 48.1351 0.0000 175.2441 17 N 4.3675 8.2561 118.8353 56.0769 38.4579 177.4210 18 E 3.9679 8.5154 120.2420 59.2708 29.4194 179.2464 19 L 3.9319 8.4496 119.3872 57.8104 41.6099 179.5629 20 I 3.6343 7.6112 119.0657 64.4713 37.0243 178.3356 21 A 3.2972 7.9549 121.4297 54.7673 18.0950 179.5112 22 I 3.6317 7.7867 118.4746 64.9089 37.2740 178.4513 23 N 4.4039 7.7911 117.1387 56.1299 38.2954 177.4673 24 Q 3.8437 8.2404 121.3657 59.5079 29.2224 177.9547 25 Y 4.7003 7.9784 119.4952 60.5443 37.8803 178.1326 26 F 3.8528 8.4845 121.7770 61.0445 39.4445 177.0472 27 L 3.9819 8.2258 119.9928 58.4672 41.9095 178.4650 28 H 3.8208 8.2969 116.3907 58.7516 28.5793 177.3780 29 S 4.3218 8.6367 115.1199 61.9271 62.1443 176.7658 30 R 3.8877 7.8373 120.0296 58.9922 29.6777 179.1564 31 M 3.4429 7.7782 119.0761 57.7233 31.8127 178.5226 32 W 4.5466 7.7940 119.1036 59.9690 29.1914 178.2081 33 N 4.3354 8.3160 116.2263 56.4737 37.8076 176.5876 34 D 4.3243 7.8803 118.1720 57.4370 41.3006 178.1114 35 W 4.7958 7.7279 115.9662 57.0035 29.0294 177.1399 36 G 3.9610 8.4674 108.1801 46.0960 0.0000 174.3712 37 L 4.8988 8.0170 121.4926 53.2606 40.2972 177.7156 38 K 4.0175 8.3219 121.2925 59.0997 32.4500 179.2238 39 R 3.8821 8.0110 119.4321 59.1883 29.9253 178.3898 40 L 3.8083 7.8021 118.5075 57.5072 41.4919 179.3299 41 G 3.8801 8.3798 105.6328 48.0866 0.0000 175.5356 42 A 4.0156 8.2847 123.9891 54.7969 18.3815 179.1079 43 H 3.8833 8.3037 116.7815 59.5236 29.4312 177.1868 44 E 4.0269 8.6313 121.3324 59.1627 29.4048 178.0106 45 Y 3.9376 8.0929 119.7879 61.1405 38.9023 178.0009 46 H 4.0003 8.1043 116.9031 58.6855 28.8284 177.7275 47 E 3.8230 7.9788 120.6232 59.2432 29.2517 179.2012 48 S 4.2811 8.2847 113.3000 61.6121 62.5250 176.2200 49 I 3.6070 7.6361 122.5078 64.5526 36.7957 178.1555 50 D 4.2890 8.1447 119.6197 57.3957 40.5740 178.7272 51 E 4.1704 8.1910 118.7006 59.3176 29.4359 179.1329 52 M 4.0366 8.1326 118.9846 58.4559 32.1579 178.9344 53 K 3.9895 8.0785 118.4838 59.6048 32.1801 179.1170 54 H 4.2563 8.2454 116.3345 58.8923 28.6586 177.5262 55 A 4.0183 8.1738 122.5397 55.1728 18.0831 179.0305 56 D 4.2550 8.2195 116.3907 57.6343 41.2601 178.6833 57 K 3.9459 7.9128 118.3315 59.3959 31.9414 179.3302 58 L 3.9815 8.0495 119.0824 57.8669 41.5241 179.3454 59 I 3.7087 8.1227 120.0765 64.7564 37.1270 178.3404 60 E 3.9932 8.4482 119.3044 59.2363 29.2591 179.4274 61 R 3.9851 8.2654 118.8786 59.6376 30.2499 178.5972 62 I 3.7574 8.1193 119.9263 64.4611 37.0968 178.4966 63 L 4.0278 8.3430 120.1582 57.7406 41.2381 179.2513 64 F 4.2856 8.2196 119.6608 61.0982 39.6136 176.3091 65 L 3.9549 7.9876 116.3402 54.5167 41.2664 177.5130 66 E 3.5375 7.9823 117.7542 56.8640 27.1049 174.5777 67 G 3.9063 7.7961 108.5248 44.1933 0.0000 173.5556 68 L 4.5376 7.9997 118.9714 51.9545 42.3161 175.2412 69 P 4.2861 0.0000 0.0000 62.6724 31.7049 175.9856 70 N 4.6304 9.5228 122.6350 52.6122 38.1565 174.1403 71 L 4.5669 8.2883 124.1814 54.5201 42.3578 177.3804 72 Q 4.1651 8.5400 121.6724 57.5360 29.5155 175.6345 73 D 4.6293 8.1042 117.6033 52.7707 41.8096 175.3719 74 L 4.5106 8.2896 125.4251 52.8016 43.7734 176.3227 75 G 3.8010 8.3601 116.2943 44.6571 0.0000 171.1374 76 K 4.0716 8.3555 120.9409 55.6607 32.3532 176.9581 77 L 3.9827 8.3975 127.2055 54.7004 41.9909 177.0417 78 L 4.3448 8.5935 124.7508 53.7296 40.6856 175.6258 79 I 4.3759 8.1049 124.4640 59.2978 38.7882 176.5205 80 G 4.0243 8.7561 114.2139 44.7279 0.0000 172.7157 81 E 4.6330 8.8705 118.8227 55.9662 30.9878 175.1211 82 N 4.9287 7.6283 114.7800 51.3753 41.6329 175.0311 83 T 4.3991 8.5032 116.1808 67.0719 68.5633 176.3757 84 Q 3.9820 8.2481 120.8921 59.5322 29.0002 178.3093 85 E 4.0815 8.7119 119.3713 59.3869 29.5170 179.1523 86 M 3.9368 8.6046 119.2817 58.3182 31.9746 178.7483 87 L 4.1572 8.2866 119.1107 57.9887 41.7546 179.3877 88 Q 3.9959 8.2325 119.4304 59.4161 28.9708 178.1346 89 C 4.2151 8.6452 118.2548 62.8324 28.0837 175.7906 90 D 4.6783 8.3575 120.5932 57.3609 40.3737 178.5575 91 L 3.9621 8.1619 120.8315 58.3666 42.0770 178.8236 92 N 4.3655 8.5251 116.6809 56.1346 38.4066 177.2132 93 L 4.0121 8.1130 121.8728 58.2940 42.2477 178.9410 94 E 4.1208 8.6302 118.6452 59.1410 29.4258 179.2525 95 L 4.0465 8.3474 119.7696 57.5370 41.5976 179.4036 96 K 3.9817 8.0639 119.1572 59.1255 32.1801 178.5073 97 A 4.0202 8.1649 121.2586 55.7161 18.2809 179.8190 98 T 3.8210 7.8843 113.8202 66.6314 68.5670 176.7467 99 K 3.9071 7.8540 121.0184 59.8976 32.2405 178.5659 100 D 4.4560 8.3526 118.9047 57.1270 40.5692 178.8160 101 L 4.0522 7.9691 119.8796 57.6319 41.5290 179.5692 102 R 3.9143 8.1008 118.0433 59.4235 30.1450 178.9934 103 E 3.9347 8.0779 117.6587 59.3172 29.4373 179.3315 104 A 3.5983 8.0872 120.8635 54.9787 18.4301 179.8212 105 I 3.6513 7.9495 118.6199 64.3334 37.1912 178.4427 106 V 3.5822 7.9614 119.4939 66.6501 31.2382 177.6598 107 H 4.1170 8.0297 117.0340 59.3765 29.7131 176.8775 108 C 4.0156 8.1026 118.6213 62.7885 28.0123 175.8158 109 E 3.9094 8.2206 120.8203 59.1602 29.0272 178.5982 110 Q 3.9662 7.7379 118.4696 58.9833 29.1987 177.8402 111 V 3.9090 7.1546 110.0374 60.7321 31.7564 175.6904 112 H 3.0069 7.3591 113.7244 57.1136 26.6025 176.2481 113 D 4.4996 7.7661 121.0887 53.4098 38.7099 175.4519 114 Y 4.3185 7.5162 121.8640 60.2566 38.3304 177.6203 115 V 3.6539 7.8507 119.0578 66.1147 31.7926 178.0436 116 S 4.1423 8.2305 114.5399 61.5332 62.5633 176.5719 117 R 3.8870 8.0912 121.3555 59.5457 29.8251 178.0236 118 D 4.3145 8.2555 117.6875 57.2694 41.2485 177.7757 119 L 3.9591 8.0976 120.8801 58.4079 41.9706 179.0564 120 L 4.0716 8.0311 118.7609 57.4233 41.5413 179.2633 121 K 3.9397 8.4368 120.0990 59.5010 32.0927 178.7034 122 D 4.3425 8.1157 119.3580 57.3000 40.6835 178.5632 123 I 3.4998 7.7581 120.3770 64.3111 37.0654 178.2137 124 L 3.9422 8.0710 121.2309 58.0303 41.9508 178.5147 125 E 3.9410 8.3666 119.4270 59.5371 29.5661 178.8710 126 S 4.2017 8.0259 112.9959 61.2550 62.3341 175.9858 127 E 4.1881 8.5609 121.9640 59.3913 29.2503 179.0192 128 E 4.0028 8.7496 119.1248 59.3769 29.4930 179.2066 129 E 4.0306 8.3577 118.7153 59.7357 29.5249 178.8777 130 H 4.3662 8.2918 118.2328 59.3521 29.8948 177.2078 131 I 3.7213 8.1396 121.9303 64.4266 36.9503 177.8220 132 D 4.2946 8.2660 118.6658 57.5763 41.0915 177.4952 133 Y 4.1536 8.1524 119.9597 60.7817 38.7042 178.2858 134 L 3.7368 8.3994 120.0168 57.9493 41.8300 179.1564 135 E 3.9200 8.7323 118.7395 59.9007 29.3769 179.8325 136 T 3.8172 7.9133 115.5461 66.6394 68.4362 176.8558 137 Q 3.7893 7.7950 120.0009 58.8065 28.7515 178.8369 138 L 3.8423 7.6957 120.0870 57.6933 41.5655 179.8553 139 G 3.5750 8.1282 105.6712 47.7048 0.0000 175.8082 140 L 4.0157 7.8479 121.2677 57.4078 41.6818 179.3938 141 I 3.4855 7.4900 120.0397 64.4594 36.8031 178.3818 142 Q 3.9298 7.4937 116.5816 58.9864 28.6721 178.7694 143 K 4.1102 8.1677 118.3050 59.0289 32.2549 179.0220 144 V 4.1979 7.9998 109.4769 59.8926 32.9279 177.2360 145 G 4.1168 7.5583 104.4171 45.8252 0.0000 174.5134 146 L 3.9509 8.4458 121.8308 58.0746 42.1625 179.2229 147 E 3.9681 8.1851 118.0225 59.5402 29.3829 178.9849 148 N 4.3055 8.1250 115.8695 56.4389 38.4839 176.5655 149 Y 3.9889 7.9811 119.6114 60.7658 39.1126 177.8966 150 L 4.0409 8.2686 119.9796 57.8207 41.5985 179.1069 151 Q 3.9021 8.2329 119.5780 59.3956 28.7458 178.2372 152 S 4.3362 7.9975 113.3485 59.8763 63.1191 174.3373 153 H 4.6358 7.8490 118.7761 55.6493 29.6028 175.8761 154 M 4.1625 7.9066 121.4637 57.7615 31.9474 176.0414 155 H 5.0574 7.6141 114.0685 53.7215 30.5891 174.8937 156 E 4.1264 8.8185 121.9623 56.8905 29.2326 176.8948 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 4.20 0.00 1.51 1.78 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.08 7.81 3 G 7.59 3.55 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 0.00 0.00 0.00 4 D 8.55 4.47 0.00 2.78 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 5 K 8.58 3.98 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.50 7.81 6 K 8.10 4.11 0.00 1.90 1.62 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 7 V 8.26 3.68 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 0.96 0.00 0.00 1.03 0.00 0.00 8 I 7.75 3.77 2.03 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 1.52 0.61 0.90 0.00 0.00 9 Q 8.12 3.96 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 10 H 8.53 4.15 0.00 3.33 3.34 0.00 5.63 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 8.49 4.00 0.00 1.78 1.75 0.96 0.72 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 8.51 4.34 0.00 2.83 2.86 0.00 0.00 6.69 8.52 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 13 K 8.06 3.96 0.00 1.89 1.97 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.03 3.72 1.89 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 1.71 0.81 0.92 0.00 0.00 15 L 8.27 4.02 0.00 1.81 1.90 0.93 1.28 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 16 G 8.39 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.26 4.37 0.00 2.97 2.89 0.00 0.00 7.07 6.94 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 18 E 8.52 3.97 0.00 2.11 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 2.58 2.53 0.00 19 L 8.45 3.93 0.00 1.73 1.69 0.90 0.77 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 20 I 7.61 3.63 1.98 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 1.41 0.88 0.89 0.00 0.00 21 A 7.95 3.30 1.03 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 22 I 7.79 3.63 1.98 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 1.57 1.01 0.88 0.00 0.00 23 N 7.79 4.40 0.00 2.71 2.83 0.00 0.00 6.75 7.61 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 24 Q 8.24 3.84 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 25 Y 7.98 4.70 0.00 3.03 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 26 F 8.48 3.85 0.00 3.33 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 27 L 8.23 3.98 0.00 1.83 1.65 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.30 3.82 0.00 3.50 2.86 0.00 5.71 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 8.64 4.32 0.00 3.86 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 30 R 7.84 3.89 0.00 1.88 1.89 0.00 2.99 0.00 0.00 2.67 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 31 M 7.78 3.44 0.00 0.90 1.66 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 32 W 7.79 4.55 0.00 3.63 3.40 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 33 N 8.32 4.34 0.00 2.89 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 7.88 4.32 0.00 2.52 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 35 W 7.73 4.80 0.00 3.72 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 36 G 8.47 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 8.02 4.90 0.00 2.00 1.64 1.29 1.05 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 38 K 8.32 4.02 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 8.01 3.88 0.00 2.06 1.89 0.00 3.11 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.80 3.81 0.00 1.23 0.13 0.28 0.21 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 8.38 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.28 4.02 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 43 H 8.30 3.88 0.00 3.33 3.39 0.00 5.79 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 44 E 8.63 4.03 0.00 2.58 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 2.78 2.63 0.00 45 Y 8.09 3.94 0.00 3.07 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 46 H 8.10 4.00 0.00 3.31 3.25 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 7.98 3.82 0.00 1.95 1.67 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 2.25 2.14 0.00 48 S 8.28 4.28 0.00 4.06 4.03 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 49 I 7.64 3.61 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.49 0.85 0.00 0.00 50 D 8.14 4.29 0.00 2.81 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 51 E 8.19 4.17 0.00 2.20 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 2.74 2.73 0.00 52 M 8.13 4.04 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 53 K 8.08 3.99 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 54 H 8.25 4.26 0.00 3.49 3.34 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 8.17 4.02 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 56 D 8.22 4.26 0.00 2.91 2.83 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 57 K 7.91 3.95 0.00 2.04 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.50 7.81 58 L 8.05 3.98 0.00 1.88 1.73 0.99 0.57 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 59 I 8.12 3.71 2.02 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 0.85 0.92 0.00 0.00 60 E 8.45 3.99 0.00 2.14 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 2.34 2.61 0.00 61 R 8.27 3.99 0.00 2.05 2.11 0.00 3.29 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.12 3.76 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 1.54 0.84 0.93 0.00 0.00 63 L 8.34 4.03 0.00 1.92 1.77 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.22 4.29 0.00 2.96 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.99 3.95 0.00 1.87 1.61 1.01 0.80 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 7.98 3.54 0.00 2.03 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 2.15 2.23 0.00 67 G 7.80 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 68 L 8.00 4.54 0.00 1.62 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 4.29 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.79 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 9.52 4.63 0.00 2.61 2.84 0.00 0.00 7.13 7.81 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 71 L 8.29 4.57 0.00 1.62 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.54 4.17 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.10 4.63 0.00 2.69 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 8.29 4.51 0.00 1.50 1.51 0.88 1.05 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 75 G 8.36 3.80 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 0.00 0.00 0.00 76 K 8.36 4.07 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 L 8.40 3.98 0.00 1.63 1.55 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.59 4.34 0.00 1.80 1.69 0.95 0.62 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 79 I 8.10 4.38 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.90 0.00 0.00 80 G 8.76 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.87 4.63 0.00 2.09 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 2.26 2.31 0.00 82 N 7.63 4.93 0.00 2.86 2.77 0.00 0.00 6.26 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 8.50 4.40 4.46 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 1.49 0.00 0.00 84 Q 8.25 3.98 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 85 E 8.71 4.08 0.00 2.22 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 2.34 2.53 0.00 86 M 8.60 3.94 0.00 1.40 2.30 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.09 0.00 87 L 8.29 4.16 0.00 1.90 1.74 0.86 0.85 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 8.23 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.65 4.22 0.00 3.26 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 90 D 8.36 4.68 0.00 3.01 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 91 L 8.16 3.96 0.00 1.85 1.86 0.93 0.55 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 92 N 8.53 4.37 0.00 2.94 2.88 0.00 0.00 6.70 7.60 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 93 L 8.11 4.01 0.00 1.99 1.99 0.92 0.81 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 94 E 8.63 4.12 0.00 2.19 2.04 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 2.68 2.47 0.00 95 L 8.35 4.05 0.00 1.69 1.74 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.06 3.98 0.00 1.87 1.99 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.16 4.02 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 98 T 7.88 3.82 4.57 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 1.29 0.00 0.00 99 K 7.85 3.91 0.00 1.85 2.01 0.00 1.65 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 1.51 7.81 100 D 8.35 4.46 0.00 2.88 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 7.97 4.05 0.00 1.97 1.72 0.93 0.74 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 0.00 102 R 8.10 3.91 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 103 E 8.08 3.93 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 8.09 3.60 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 0.00 105 I 7.95 3.65 1.99 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 1.01 0.93 0.00 0.00 106 V 7.96 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 107 H 8.03 4.12 0.00 3.28 3.31 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 8.10 4.02 0.00 3.11 3.15 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 0.00 0.00 0.00 0.00 109 E 8.22 3.91 0.00 2.13 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 2.37 2.44 0.00 110 Q 7.74 3.97 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 111 V 7.15 3.91 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 0.65 0.00 0.00 0.85 0.00 0.00 112 H 7.36 3.01 0.00 3.14 3.14 0.00 5.66 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.77 4.50 0.00 2.56 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 7.52 4.32 0.00 3.08 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 0.00 115 V 7.85 3.65 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 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.23 4.14 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.09 3.89 0.00 1.93 2.18 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.26 4.31 0.00 3.04 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 0.00 119 L 8.10 3.96 0.00 1.77 1.87 0.94 0.53 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 0.00 120 L 8.03 4.07 0.00 1.89 1.70 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.44 3.94 0.00 1.82 1.95 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 D 8.12 4.34 0.00 2.92 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 7.76 3.50 1.94 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 1.13 0.76 0.81 0.00 0.00 124 L 8.07 3.94 0.00 1.87 1.88 0.94 1.03 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 8.37 3.94 0.00 2.08 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 2.33 2.34 0.00 126 S 8.03 4.20 0.00 4.02 4.03 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 0.00 127 E 8.56 4.19 0.00 2.05 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 0.00 2.61 2.53 0.00 128 E 8.75 4.00 0.00 2.00 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 2.36 2.49 0.00 129 E 8.36 4.03 0.00 2.25 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 2.37 2.36 0.00 130 H 8.29 4.37 0.00 3.25 3.50 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 8.14 3.72 2.07 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 1.43 0.75 0.93 0.00 0.00 132 D 8.27 4.29 0.00 2.84 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 8.15 4.15 0.00 3.12 3.19 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 0.00 0.00 0.00 0.00 134 L 8.40 3.74 0.00 1.95 1.66 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.73 3.92 0.00 2.00 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 2.45 0.00 136 T 7.91 3.82 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 137 Q 7.79 3.79 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.34 1.87 0.00 138 L 7.70 3.84 0.00 1.73 1.61 0.83 0.88 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 0.00 139 G 8.13 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 0.00 140 L 7.85 4.02 0.00 1.80 1.86 1.00 0.71 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 0.00 141 I 7.49 3.49 1.77 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 0.99 0.03 0.80 0.00 0.00 142 Q 7.49 3.93 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 143 K 8.17 4.11 0.00 1.75 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 144 V 8.00 4.20 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 0.78 0.00 0.00 1.09 0.00 0.00 145 G 7.56 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 3.95 0.00 1.76 1.68 0.95 0.91 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 0.00 147 E 8.19 3.97 0.00 2.06 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 2.40 2.41 0.00 148 N 8.13 4.31 0.00 3.06 2.89 0.00 0.00 6.73 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 7.98 3.99 0.00 2.99 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 8.27 4.04 0.00 1.74 1.72 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.23 3.90 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 8.00 4.34 0.00 3.80 3.66 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 0.00 153 H 7.85 4.64 0.00 3.00 3.04 0.00 5.81 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 0.00 154 M 7.91 4.16 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 155 H 7.61 5.06 0.00 3.09 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.82 4.13 0.00 1.95 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 2.31 2.31 0.00