NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4364 8.3044 118.1948 55.1359 32.5416 174.5076 1 V 4.2162 7.9606 119.9160 60.7349 34.2902 173.4918 2 L 4.2184 8.3118 127.7787 54.1878 43.3104 177.1199 3 S 4.4756 8.8737 117.7084 57.8015 65.1532 175.1103 4 E 4.2657 8.8827 122.9230 59.5887 29.3326 179.1386 5 G 3.6653 8.1470 105.1917 47.8626 0.0000 175.3136 6 E 3.8699 8.3231 120.9980 58.9923 29.4470 179.3993 7 W 4.4391 8.1392 118.9637 60.0950 29.0850 178.6297 8 Q 4.2352 8.6723 118.2564 58.9121 27.9892 178.7224 9 L 4.0457 8.0314 120.1832 57.6707 41.6271 179.7332 10 V 3.7480 7.9592 118.1241 66.2640 31.5740 178.2447 11 L 4.2515 8.6093 119.0194 58.0330 41.1802 179.2364 12 H 4.2594 8.4499 116.0929 58.5341 28.9302 177.7992 13 V 3.8318 7.8981 121.3685 64.3874 31.4473 178.2947 14 W 3.8519 8.5398 128.8700 60.0815 30.2688 177.6571 15 A 4.0359 8.0965 120.1816 55.0432 18.0070 179.4527 16 K 3.9613 7.8322 117.0285 59.2865 32.1940 179.4073 17 V 2.6786 7.2501 117.9856 65.9278 30.9231 177.3544 18 E 4.0262 7.6295 115.2017 57.7611 29.3548 178.4584 19 A 4.1884 7.5500 121.1505 54.4112 19.4342 177.6143 20 D 4.6697 7.7505 114.6081 52.4649 43.4344 175.9423 21 V 3.6100 7.7832 123.8888 64.1608 31.8487 178.2055 22 A 4.0660 8.0344 121.0898 55.0019 18.2888 179.6479 23 G 3.6048 8.3291 105.4452 47.7444 0.0000 175.6352 24 H 4.1093 8.1677 118.4343 58.3497 28.6062 178.1229 25 G 3.5410 8.3458 107.8625 47.8250 0.0000 175.5965 26 Q 4.0313 8.1170 120.6399 58.8990 28.7270 178.8543 27 D 4.2873 7.9292 119.6329 57.4005 40.7532 179.0597 28 I 3.5356 7.7654 120.2350 64.5350 37.0062 178.1378 29 Y 3.8688 7.8951 117.6467 60.9873 37.6349 178.7009 30 I 3.7109 7.9396 120.9186 64.3198 37.1238 178.4553 31 R 3.8091 8.0635 119.5912 59.1973 29.8960 178.1608 32 L 3.9562 7.9337 120.2466 58.5016 42.0397 179.1393 33 F 4.6707 8.1606 117.6745 60.3137 38.5595 178.0433 34 K 4.0410 8.0846 117.7807 59.5422 32.0221 179.3124 35 S 4.2549 8.1382 114.6333 60.5448 64.2515 174.6827 36 H 4.8013 8.2100 118.1198 52.2145 29.7433 171.9366 37 P 4.7362 0.0000 0.0000 64.5941 31.6585 177.6420 38 E 4.3785 8.5320 117.7801 59.0402 29.4391 179.1844 39 T 3.7914 8.1440 110.8613 64.4612 68.7801 176.2838 40 L 3.7115 8.0213 122.8154 57.8270 41.4563 178.7125 41 E 4.1196 8.1336 118.0446 58.8976 29.1127 178.9740 42 K 4.4254 8.0905 117.2358 57.2645 32.7385 177.6217 43 F 4.4853 8.1557 119.0773 55.6797 38.7222 175.7264 44 D 4.3691 8.4730 124.3667 57.3499 40.8962 178.7944 45 R 3.9670 7.5887 115.8688 57.6379 30.4056 176.8442 46 F 5.0620 7.5210 114.3052 56.6846 40.9506 176.8235 47 K 3.9392 8.2215 120.0002 59.2723 32.3354 177.8469 48 H 4.3912 8.1412 114.1945 57.3223 29.0055 175.6595 49 L 4.1035 7.6796 121.7941 54.8770 41.6593 176.9421 50 K 4.3436 9.1838 123.4664 57.4436 33.4422 177.0501 51 T 4.7376 7.3050 107.6606 58.7540 73.2143 174.1086 52 E 3.8998 8.7507 121.4489 59.3724 29.6203 178.6092 53 A 3.9795 8.0178 120.2252 55.4457 18.2163 179.3367 54 E 3.9199 7.9379 115.5322 59.7264 29.8922 179.1966 55 M 4.1292 8.1271 118.7360 58.3673 31.8429 178.7995 56 K 3.9546 8.2887 118.6367 59.1642 32.4458 178.0877 57 A 4.4183 7.7476 119.1202 52.4359 18.9088 177.7289 58 S 4.2745 7.5522 112.4267 57.6021 62.8757 174.2690 59 E 4.0155 8.7469 130.2491 59.6438 29.3117 179.0294 60 D 4.4804 8.1484 118.5133 57.2110 40.9367 178.3792 61 L 3.1038 7.9844 120.9247 57.5541 41.9712 178.7590 62 K 3.8709 8.0265 119.5587 59.6955 32.1289 178.7919 63 K 4.0244 8.2543 118.6219 59.5156 31.8906 179.0983 64 Q 4.2606 8.5769 120.1081 59.2272 28.9568 178.5448 65 G 3.7314 8.5455 106.9226 47.8322 0.0000 175.8074 66 V 3.6247 7.9359 120.6985 65.6857 31.5807 178.0801 67 R 3.9515 8.1204 118.4628 59.4459 29.8894 178.7048 68 V 3.6879 8.1403 118.0383 66.2427 31.6233 178.1094 69 L 4.2716 8.3253 118.8570 57.9815 41.3866 179.7435 70 T 4.0260 8.2915 115.8083 66.5404 68.4908 176.5995 71 A 4.0170 8.2010 122.7366 55.0287 18.3695 179.4479 72 L 3.7378 8.3172 119.2086 58.1334 42.1589 179.2104 73 G 3.2741 8.5031 105.8694 47.8053 0.0000 175.3736 74 A 3.9790 7.8836 122.0053 54.7704 18.6708 179.5813 75 I 3.7767 7.5606 118.0748 64.6236 37.2317 178.6391 76 L 3.9787 7.9305 120.1324 57.7616 41.1661 179.7553 77 K 3.9350 7.8005 117.1228 58.6671 32.2595 178.9325 78 K 3.9236 7.8140 118.2688 56.3214 32.4397 176.7229 79 K 2.0000 8.2359 118.2260 56.3154 29.7892 175.6773 80 G 3.9697 7.8246 105.9951 45.7437 0.0000 173.9956 81 H 4.5739 7.2867 119.2419 55.2286 27.4457 174.8119 82 H 5.3767 7.2796 110.8116 54.1354 29.7440 176.0669 83 E 3.9371 8.6612 122.3220 60.3406 29.0130 178.6079 84 A 4.0326 7.9089 118.5565 55.2212 17.7614 179.0042 85 E 4.1115 8.1445 116.7110 59.4758 29.6275 179.3204 86 L 4.2720 8.2501 119.0772 57.1958 41.6393 179.3418 87 K 3.9146 7.8582 119.2191 59.2033 32.0930 177.5036 88 P 4.3456 0.0000 0.0000 65.6829 31.2037 178.4481 89 L 4.0686 7.5486 115.6034 57.6244 41.5464 179.1216 90 A 4.1862 8.4457 121.1374 55.3268 18.3404 179.4708 91 Q 3.8989 8.2054 118.2219 59.3298 29.0853 178.6447 92 S 4.0211 8.2362 115.3306 61.9073 63.0367 176.1853 93 H 4.1704 8.7740 119.8439 57.9059 28.2016 177.7489 94 A 2.6991 7.9722 122.3794 54.4462 18.3263 178.8262 95 T 3.9909 7.3410 111.9804 64.5536 69.6747 176.1790 96 K 4.0299 7.4586 120.0404 58.9765 32.7668 177.3254 97 H 4.2698 7.9609 114.5840 56.1906 29.4616 175.5986 98 K 3.3006 7.4856 117.1390 57.0568 28.5996 175.2801 99 I 4.3135 7.9864 118.7967 58.6711 38.2992 174.9436 100 P 4.5139 0.0000 0.0000 62.2007 32.1787 177.4162 101 I 3.7053 8.3327 120.9975 64.6426 36.9177 178.5860 102 K 3.9222 7.8943 121.1376 59.1417 31.8375 178.2361 103 Y 4.2407 7.9737 116.9393 60.8710 37.7714 178.1256 104 L 4.2744 7.9712 119.6818 57.6303 41.8924 179.2077 105 E 4.0447 8.2927 118.8091 59.4921 29.4621 179.2082 106 F 4.6604 8.0909 117.8401 60.7729 38.9348 177.5474 107 F 4.3784 8.7949 120.2733 61.4438 39.2054 177.2915 108 S 4.0822 8.4899 114.8849 61.6108 62.6312 176.2408 109 E 3.9723 8.5693 121.8187 59.2795 29.3667 178.7743 110 A 3.9317 8.0420 120.6950 55.0904 18.3490 179.5851 111 I 3.4154 7.5405 118.2993 64.6268 37.1110 178.7348 112 I 3.7186 7.8306 120.5242 64.5410 36.9443 177.9920 113 H 4.0815 8.3767 119.1202 59.2670 29.6852 177.5359 114 V 3.4907 7.8081 119.9617 65.9669 31.2969 177.9616 115 L 3.6962 7.7811 118.9392 57.8597 41.0252 178.9773 116 H 4.3682 7.9561 117.4294 59.3334 29.8618 177.3405 117 S 4.1519 7.7953 115.9386 61.7598 62.8230 176.5213 118 R 4.0251 7.9957 119.4269 57.7576 31.1708 176.6852 119 H 5.0564 8.2208 115.1823 54.0246 29.2888 173.2157 120 P 4.3685 0.0000 0.0000 65.5939 31.7353 178.5330 121 G 3.7476 8.1469 107.0346 47.7906 0.0000 173.6998 122 D 4.9843 8.1642 117.0985 53.7745 42.5026 175.8429 123 F 4.8475 7.9845 119.7270 56.4739 39.6079 174.5161 124 G 3.8801 7.7274 108.5077 44.0616 0.0000 172.1734 125 A 3.8826 8.4083 120.6044 55.3363 18.3299 179.7335 126 D 4.1732 7.9392 116.5994 57.4083 40.8955 178.7115 127 A 3.8749 7.7168 120.7693 55.0945 18.4266 179.2914 128 Q 2.8967 7.7276 118.4028 58.7744 28.9880 178.6272 129 G 3.5404 8.0441 106.6363 47.6896 0.0000 175.5257 130 A 3.8299 7.9586 123.2335 55.0124 18.3158 179.4191 131 M 3.9736 8.2515 117.0535 58.6864 32.2790 177.7877 132 N 4.2729 8.5756 117.6775 56.6456 39.0486 176.6287 133 K 3.8181 8.1261 120.6716 59.4349 32.2714 178.5636 134 A 3.8233 7.9729 121.0624 55.2271 18.2186 179.6889 135 L 4.0974 8.2818 117.8385 57.6838 41.6055 179.2578 136 E 3.9430 8.6044 119.8652 59.1432 29.5499 178.5899 137 L 3.9567 8.1491 120.4457 58.1012 42.0951 178.6067 138 F 4.0898 8.3381 120.4625 61.5903 39.2816 177.3365 139 R 3.5882 8.4208 117.8888 58.8621 29.8157 179.0101 140 K 3.8394 8.3537 119.8738 59.6693 32.2201 178.7053 141 D 4.3193 8.1476 119.2036 57.2483 40.6860 178.8219 142 I 3.3379 7.5325 120.3535 64.0953 37.0003 178.3017 143 A 3.6981 7.9188 121.6296 55.0048 18.2489 179.5309 144 A 3.9270 7.9374 119.2866 55.1242 18.3783 179.8557 145 K 3.9316 7.9699 118.2059 59.7319 32.2130 178.3824 146 Y 4.4845 8.6549 117.4884 61.5124 37.9749 179.2270 147 K 4.0275 8.1829 118.9339 59.5831 31.9650 179.3053 148 E 4.0410 7.9726 117.5617 59.2354 29.4799 178.7572 149 L 4.3476 7.9814 116.8155 55.2528 41.9281 177.7656 150 G 3.8808 7.9509 106.9370 45.3445 0.0000 172.2564 151 Y 4.5817 8.1022 120.9918 55.2730 39.9624 175.3834 152 Q 4.1458 8.3956 126.4743 54.9438 28.7767 175.8825 153 G 2.8687 7.6039 111.6902 45.5541 0.0000 171.1717 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 0 M 8.30 4.44 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.96 4.22 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.31 4.22 0.00 0.87 0.63 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.87 4.48 0.00 4.03 3.97 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 4 E 8.88 4.27 0.00 2.20 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 2.44 2.53 0.00 5 G 8.15 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 6 E 8.32 3.87 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 7 W 8.14 4.44 0.00 3.58 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 8 Q 8.67 4.24 0.00 2.26 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 2.68 2.62 0.00 9 L 8.03 4.05 0.00 1.86 1.72 0.87 0.83 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 10 V 7.96 3.75 2.48 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 1.18 0.00 0.00 0.93 0.00 0.00 11 L 8.61 4.25 0.00 1.83 1.78 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.45 4.26 0.00 3.28 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.90 3.83 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 1.14 0.00 0.00 0.91 0.00 0.00 14 W 8.54 3.85 0.00 3.68 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 15 A 8.10 4.04 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 16 K 7.83 3.96 0.00 1.47 1.59 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.48 7.81 17 V 7.25 2.68 0.93 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 0.12 0.00 0.00 0.11 0.00 0.00 18 E 7.63 4.03 0.00 2.06 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 2.25 0.00 19 A 7.55 4.19 1.30 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 0.00 0.00 20 D 7.75 4.67 0.00 2.72 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 21 V 7.78 3.61 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 0.89 0.00 0.00 0.89 0.00 0.00 22 A 8.03 4.07 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 23 G 8.33 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.17 4.11 0.00 3.23 3.17 0.00 5.82 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 25 G 8.35 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 26 Q 8.12 4.03 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 27 D 7.93 4.29 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.77 3.54 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.42 0.00 0.00 29 Y 7.90 3.87 0.00 2.93 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 30 I 7.94 3.71 1.90 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 1.43 0.91 0.95 0.00 0.00 31 R 8.06 3.81 0.00 1.91 2.05 0.00 3.02 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 32 L 7.93 3.96 0.00 1.88 1.56 1.20 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.16 4.67 0.00 3.08 2.92 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 34 K 8.08 4.04 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.72 7.81 35 S 8.14 4.25 0.00 3.77 3.57 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 36 H 8.21 4.80 0.00 2.94 2.77 0.00 5.63 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 37 P 0.00 4.74 0.00 2.16 2.12 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 38 E 8.53 4.38 0.00 2.31 2.31 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 2.29 2.44 0.00 39 T 8.14 3.79 4.48 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 0.89 0.00 0.00 40 L 8.02 3.71 0.00 1.25 1.72 -0.08 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.13 4.12 0.00 2.31 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 2.36 2.47 0.00 42 K 8.09 4.43 0.00 1.89 1.72 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.77 1.97 7.81 43 F 8.16 4.49 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 44 D 8.47 4.37 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.59 3.97 0.00 0.95 1.33 0.00 3.04 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 46 F 7.52 5.06 0.00 2.84 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 47 K 8.22 3.94 0.00 1.87 2.22 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.40 7.81 48 H 8.14 4.39 0.00 3.30 3.46 0.00 5.53 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 49 L 7.68 4.10 0.00 1.49 1.56 0.78 1.07 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 50 K 9.18 4.34 0.00 1.79 1.84 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.49 7.81 51 T 7.30 4.74 4.23 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 1.20 0.00 0.00 52 E 8.75 3.90 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 2.37 2.38 0.00 53 A 8.02 3.98 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.94 3.92 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 55 M 8.13 4.13 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 56 K 8.29 3.95 0.00 1.75 1.97 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.75 4.42 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 58 S 7.55 4.27 0.00 3.91 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 59 E 8.75 4.02 0.00 2.09 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 2.41 2.42 0.00 60 D 8.15 4.48 0.00 2.99 3.04 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 L 7.98 3.10 0.00 1.03 1.51 -0.58 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.03 3.87 0.00 1.87 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 63 K 8.25 4.02 0.00 2.10 1.93 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.62 7.81 64 Q 8.58 4.26 0.00 2.54 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 65 G 8.55 3.73 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 0.00 0.00 0.00 66 V 7.94 3.62 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.00 0.00 0.00 67 R 8.12 3.95 0.00 2.15 2.17 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 68 V 8.14 3.69 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.23 0.00 0.00 69 L 8.33 4.27 0.00 1.81 1.90 0.85 1.07 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 70 T 8.29 4.03 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 1.28 0.00 0.00 71 A 8.20 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.32 3.74 0.00 1.69 1.82 0.33 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 3.27 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 0.00 74 A 7.88 3.98 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 75 I 7.56 3.78 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 0.94 0.00 0.00 76 L 7.93 3.98 0.00 1.35 1.59 -0.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 3.93 0.00 1.78 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.51 7.81 78 K 7.81 3.92 0.00 1.88 1.79 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.57 1.74 7.81 79 K 8.24 2.00 0.00 1.17 0.74 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.57 1.05 7.81 80 G 7.82 3.97 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 0.00 0.00 0.00 81 H 7.29 4.57 0.00 3.18 3.22 0.00 5.79 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 82 H 7.28 5.38 0.00 3.30 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.66 3.94 0.00 2.12 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 2.40 2.48 0.00 84 A 7.91 4.03 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.14 4.11 0.00 2.27 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 2.41 2.48 0.00 86 L 8.25 4.27 0.00 1.92 1.69 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.86 3.91 0.00 1.77 1.89 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 88 P 0.00 4.35 0.00 2.30 2.34 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 89 L 7.55 4.07 0.00 1.94 1.83 1.10 0.84 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 90 A 8.45 4.19 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 91 Q 8.21 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.24 4.02 0.00 3.99 4.11 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 93 H 8.77 4.17 0.00 3.56 3.61 0.00 5.81 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 94 A 7.97 2.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.34 3.99 4.17 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 1.10 0.00 0.00 96 K 7.46 4.03 0.00 1.53 1.61 0.00 1.66 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.33 7.81 97 H 7.96 4.27 0.00 3.01 3.12 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.49 3.30 0.00 1.78 1.72 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.02 1.21 7.81 99 I 7.99 4.31 2.10 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 1.40 0.95 1.15 0.00 0.00 100 P 0.00 4.51 0.00 1.98 2.00 0.00 3.08 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 0.88 1.48 0.00 101 I 8.33 3.71 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.85 0.00 0.00 102 K 7.89 3.92 0.00 1.69 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.13 1.19 7.81 103 Y 7.97 4.24 0.00 3.27 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 0.00 104 L 7.97 4.27 0.00 1.93 1.90 0.83 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.29 4.04 0.00 2.08 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 2.50 0.00 106 F 8.09 4.66 0.00 3.29 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 0.00 107 F 8.79 4.38 0.00 3.27 3.37 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 0.00 108 S 8.49 4.08 0.00 4.18 3.97 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 0.00 109 E 8.57 3.97 0.00 2.24 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 0.00 2.36 2.41 0.00 110 A 8.04 3.93 1.30 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 0.00 0.00 111 I 7.54 3.42 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.02 0.92 0.00 0.00 112 I 7.83 3.72 2.08 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 1.69 0.88 1.12 0.00 0.00 113 H 8.38 4.08 0.00 3.33 3.42 0.00 5.78 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 0.00 114 V 7.81 3.49 1.93 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 0.88 0.00 0.00 0.88 0.00 0.00 115 L 7.78 3.70 0.00 0.38 0.29 0.74 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 0.00 116 H 7.96 4.37 0.00 3.43 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.15 0.00 3.94 3.81 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 0.00 118 R 8.00 4.03 0.00 1.58 1.51 0.00 2.85 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 119 H 8.22 5.06 0.00 3.21 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.37 0.00 2.17 2.15 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 121 G 8.15 3.75 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 0.00 0.00 0.00 122 D 8.16 4.98 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.98 4.85 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.73 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 0.00 125 A 8.41 3.88 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 0.00 126 D 7.94 4.17 0.00 2.63 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 0.00 127 A 7.72 3.87 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 0.00 128 Q 7.73 2.90 0.00 1.20 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 129 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 0.00 130 A 7.96 3.83 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.25 3.97 0.00 2.38 2.39 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.58 4.27 0.00 2.83 2.94 0.00 0.00 6.87 6.61 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 0.00 133 K 8.13 3.82 0.00 1.87 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.36 7.81 134 A 7.97 3.82 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 0.00 135 L 8.28 4.10 0.00 1.75 1.82 0.96 0.94 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 0.00 136 E 8.60 3.94 0.00 2.12 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 2.31 2.33 0.00 137 L 8.15 3.96 0.00 1.90 1.95 1.07 1.08 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 0.00 138 F 8.34 4.09 0.00 3.21 3.26 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 0.00 139 R 8.42 3.59 0.00 2.01 1.90 0.00 3.24 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.06 0.00 140 K 8.35 3.84 0.00 1.85 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.15 4.32 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.53 3.34 1.35 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.26 0.03 0.00 0.00 143 A 7.92 3.70 1.26 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 0.00 0.00 0.00 144 A 7.94 3.93 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 0.00 145 K 7.97 3.93 0.00 1.88 1.95 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.65 4.48 0.00 3.13 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 0.00 147 K 8.18 4.03 0.00 2.02 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.70 7.81 148 E 7.97 4.04 0.00 2.16 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 2.36 2.53 0.00 149 L 7.98 4.35 0.00 1.84 1.72 1.03 0.87 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 0.00 150 G 7.95 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 0.00 151 Y 8.10 4.58 0.00 2.56 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 0.00 152 Q 8.40 4.15 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 153 G 7.60 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 0.00 0.00 0.00