NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4087 8.3044 118.1948 55.3051 32.5238 174.5978 1 V 4.1385 7.8390 118.8078 61.0468 33.8442 173.0842 2 L 4.2259 8.2616 127.7981 54.2310 43.3755 177.0317 3 S 4.5710 8.6656 117.1973 57.5845 65.4817 175.0989 4 E 4.3127 8.7600 121.9117 59.3932 29.3504 178.8582 5 G 3.6022 8.0982 105.5094 47.5334 0.0000 175.5052 6 E 3.8874 8.0388 120.3885 59.2022 29.4615 179.4202 7 W 4.4103 8.0781 118.8264 59.8682 28.9129 178.6702 8 Q 4.1288 8.4763 118.3866 59.0322 28.0784 178.6976 9 L 4.0663 7.9764 120.0077 57.7185 41.6174 179.8549 10 V 3.7679 7.9862 118.3106 66.0800 31.6117 178.1237 11 L 4.3348 8.6421 118.8459 57.4575 41.0063 178.9258 12 H 4.2425 8.7303 119.4805 59.2147 29.9014 177.5712 13 V 3.4290 7.8761 120.5431 64.0678 31.4240 178.1555 14 W 3.8762 8.4525 129.1181 60.0649 30.2379 177.7846 15 A 3.9752 8.0112 120.2387 54.7122 18.0893 179.5697 16 K 3.9119 7.2736 117.0225 59.4570 32.1308 179.4161 17 V 2.7813 6.9973 118.3918 65.9780 31.0016 177.8270 18 E 3.8282 7.5419 115.7843 58.4846 29.2479 178.7535 19 A 4.2315 7.4271 120.3804 53.7381 19.7772 177.2760 20 D 4.6152 7.8970 116.6979 51.7229 41.8584 175.5946 21 V 3.5070 7.9494 122.8386 65.3294 31.9841 176.8565 22 A 4.0994 8.0041 120.3246 54.9092 18.2741 179.6925 23 G 3.7452 8.2961 105.5756 47.8457 0.0000 175.6697 24 H 4.1202 8.2305 119.2859 58.3976 28.7118 178.1212 25 G 3.7406 8.5010 107.9327 47.7346 0.0000 175.6026 26 Q 3.9394 8.1083 121.7096 59.1535 29.1689 177.8276 27 D 4.3127 7.9298 119.8666 57.4417 40.7861 178.9167 28 I 3.5288 7.7537 120.0320 64.5765 37.0767 178.6491 29 F 3.2118 8.0268 118.3697 60.1418 38.5084 177.9106 30 I 3.7187 7.8545 119.7160 64.1629 36.8692 178.4496 31 R 3.7539 7.8562 119.6511 59.1217 29.9171 178.2290 32 L 3.8320 7.8311 120.3623 58.3510 41.8638 179.0071 33 F 4.6407 7.9434 117.7611 60.6571 38.6007 177.9558 34 K 4.0572 8.1880 117.4320 59.5685 31.9735 179.4036 35 S 4.2926 8.3667 114.8601 60.3625 64.1078 174.4507 36 H 4.7083 8.5223 118.8200 52.0389 29.2521 171.9026 37 P 4.6474 0.0000 0.0000 64.5185 31.5359 177.5172 38 E 4.1036 8.2820 116.4886 59.5598 29.4169 179.1327 39 T 3.8291 8.2761 111.1149 64.4138 68.7233 176.1501 40 L 3.8313 7.9771 123.1520 57.7883 41.7319 178.6821 41 E 4.1271 8.0567 117.7372 58.9466 29.4552 178.6661 42 K 4.4298 8.1537 116.8575 56.9045 32.6301 177.5936 43 F 4.3906 8.1496 119.5457 55.4474 39.1814 175.5972 44 D 4.3690 8.4576 124.4759 57.1911 40.9577 178.7133 45 R 3.8766 7.6467 117.8585 58.0331 30.4231 176.7066 46 F 5.0402 7.4682 115.6434 58.4087 41.3891 178.9281 47 K 4.5692 7.7188 119.5456 59.5040 32.0692 177.0317 48 H 4.3118 8.2110 112.1707 57.2971 28.6317 175.5939 49 L 4.0502 7.4375 121.6364 55.0700 41.6968 176.9515 50 K 4.3536 9.5270 123.1599 57.2117 33.5580 176.8748 51 T 4.7526 7.3080 107.6795 58.9170 73.3553 174.2415 52 E 3.9580 8.6564 120.7022 58.9794 29.6637 178.6312 53 A 4.0251 7.9146 120.8349 55.0990 18.3069 179.2512 54 E 3.9229 7.9550 116.1730 59.6790 29.8027 179.0919 55 M 4.1556 8.1663 118.7546 58.5405 31.8658 179.0559 56 K 3.9885 8.3412 117.2532 59.0084 32.2895 178.4201 57 A 4.3881 7.5829 118.2931 51.5064 19.2088 176.9764 58 S 4.3372 7.5137 114.3753 57.2712 63.1801 174.5011 59 E 3.9569 8.8935 128.7544 59.2915 29.4968 178.0209 60 D 4.4638 8.1982 118.5760 57.6076 40.9006 178.5411 61 L 3.1344 7.8045 120.4580 57.6466 41.9688 178.8987 62 K 3.8407 7.7634 119.2104 59.4193 32.0771 178.8861 63 K 3.9606 8.1941 118.8213 59.8175 31.9015 178.7901 64 H 4.2709 8.5423 118.6855 59.1047 29.6935 177.4508 65 G 3.6824 8.2028 107.8721 47.8063 0.0000 175.8448 66 V 3.6202 7.7596 120.4804 66.0087 31.5987 178.0599 67 T 3.9043 8.1024 115.7022 66.7533 68.2420 176.6398 68 V 3.6697 8.0078 120.0142 66.2132 31.6420 178.1693 69 L 4.2214 8.3043 118.8115 57.9208 41.4454 179.6886 70 T 3.9504 8.2541 115.6806 66.6714 68.3276 176.4469 71 A 4.0187 8.0770 122.6665 55.1360 18.2767 179.4751 72 L 3.7208 8.3151 119.1429 58.1212 42.1893 179.3908 73 G 3.3375 8.6008 105.9210 47.7126 0.0000 175.5151 74 A 4.0654 7.7660 121.9640 54.6259 18.6583 179.5086 75 I 3.8679 7.2515 118.8312 64.4012 37.3293 178.4999 76 L 4.0065 7.9078 120.0753 57.5411 41.1281 179.5379 77 K 4.0043 7.6384 117.2278 58.5621 32.2981 179.1319 78 K 3.9049 7.8865 118.7676 56.7215 31.8813 177.0839 79 K 2.0000 8.2880 117.3932 56.5444 29.7388 176.1391 80 G 4.0727 8.1552 107.4045 45.8662 0.0000 174.8804 81 H 5.0170 7.7006 118.3620 54.0962 27.2557 174.5280 82 H 5.1653 7.1995 111.9820 54.1183 29.5946 176.3071 83 E 3.9722 8.5758 120.8714 60.4554 28.9600 179.1405 84 A 4.0364 7.9349 118.4087 55.2922 17.9238 178.9731 85 E 4.0937 8.1956 116.5922 59.6270 29.5706 179.4073 86 L 4.2653 8.2326 118.8033 57.1838 41.6401 179.2534 87 K 3.9506 7.8360 119.1312 59.2697 32.0852 177.4349 88 P 4.3386 0.0000 0.0000 65.5907 31.3122 178.2265 89 L 4.0095 7.5205 116.8250 58.1096 42.0226 178.7850 90 A 4.2456 8.7397 121.1083 55.1946 18.2711 179.4675 91 Q 3.8892 8.2758 118.4241 59.4037 29.1187 178.5867 92 S 4.0632 8.2167 115.3400 61.6266 63.0384 176.0664 93 H 4.0773 8.5470 119.5652 58.1368 28.2936 177.4172 94 A 2.6178 8.0428 122.2669 53.5108 18.4378 177.8945 95 T 4.0914 7.6121 109.1468 61.6314 69.2562 174.3480 96 K 4.2051 7.7538 119.7277 58.5460 33.5478 176.6979 97 H 4.2792 7.9325 114.4605 56.3893 29.5105 175.4145 98 K 3.1235 7.3938 115.8598 56.8599 28.1423 176.3532 99 I 4.3174 7.9879 119.3763 58.7673 38.1984 175.0331 100 P 4.4926 0.0000 0.0000 62.4149 31.9850 177.2924 101 I 3.5989 8.4829 121.4050 64.7302 36.9022 178.2139 102 K 3.7393 7.9851 119.6620 60.0344 31.8442 178.1956 103 Y 4.1586 7.9532 116.6885 60.8925 37.8722 178.2281 104 L 4.2054 7.8907 119.6888 57.5704 41.6196 179.1308 105 E 3.9892 8.2282 118.8253 59.5486 29.4404 179.2583 106 F 4.4852 7.7340 117.7542 60.8274 38.8853 177.5292 107 I 3.8488 8.1276 117.8859 63.7155 37.8113 178.0477 108 S 4.1814 8.0409 115.9510 61.2032 62.5166 176.0613 109 E 4.0706 8.1935 122.1540 59.0021 29.4664 178.5425 110 A 3.9921 8.0517 120.8733 54.7938 18.2483 179.8463 111 I 3.6784 7.8799 118.7866 64.7051 37.2323 178.5805 112 I 3.7805 7.8847 120.6513 64.5991 36.8246 178.0393 113 H 4.1307 8.4964 119.2512 59.2877 29.6521 177.6080 114 V 3.5627 7.9425 120.0779 65.9029 31.2764 177.9993 115 L 3.7763 7.9905 119.0610 57.7305 41.0251 178.9488 116 H 4.3990 8.0069 117.3432 59.4579 29.9571 177.0938 117 S 4.2035 7.8884 115.5227 61.9254 62.8023 176.7712 118 R 4.0088 7.9919 119.2535 57.9095 30.9813 176.7174 119 H 5.0468 8.2823 115.3644 53.7747 29.7425 173.0507 120 P 4.2683 0.0000 0.0000 65.9428 31.5407 179.2442 121 G 3.6754 8.1340 106.4267 47.4478 0.0000 173.6855 122 N 5.0051 8.3320 115.3860 52.9694 39.2237 174.5352 123 F 4.9546 7.9103 119.5214 56.8412 39.7966 174.9638 124 G 3.8511 7.8335 107.7683 43.8529 0.0000 172.5315 125 A 3.8787 8.4310 120.7153 55.4351 18.2080 179.6743 126 D 4.1651 7.9400 116.3934 57.4815 40.9293 178.6551 127 A 3.9290 7.8189 120.7484 55.1849 18.3134 179.3067 128 Q 3.1850 7.8945 118.4935 58.8007 29.0336 178.6541 129 G 3.5011 8.1660 106.8305 47.7896 0.0000 175.5810 130 A 3.8954 8.0357 123.5720 54.7889 18.3330 179.4310 131 M 3.9692 8.3165 117.0332 58.8120 32.3175 177.8257 132 N 4.2962 8.5395 117.6590 56.6745 38.9992 176.6092 133 K 3.8280 8.1212 120.6464 59.4930 32.2764 178.6462 134 A 3.8326 8.0268 121.2307 55.0867 18.1781 179.5971 135 L 4.1409 8.1799 117.5035 57.6934 41.6329 179.4906 136 E 3.9924 8.5773 119.2311 59.0287 29.3631 178.9671 137 L 3.9323 8.1818 120.6263 58.1152 42.1468 178.4473 138 F 4.1363 8.3191 120.5104 61.6655 39.1767 177.2002 139 R 3.4262 8.3084 117.5397 59.0776 29.8951 178.9076 140 K 3.8101 8.1863 119.4880 59.7382 32.1694 178.5624 141 D 4.3358 8.1465 119.0604 57.2545 40.6706 178.8706 142 I 3.4752 7.5826 120.3309 64.1130 37.0301 178.2699 143 A 3.7059 8.0188 121.7905 54.9247 18.1792 179.6213 144 A 3.9350 7.9067 119.4151 55.1771 18.4550 180.0194 145 K 3.9635 8.0460 117.0343 59.8255 32.0518 178.8880 146 Y 4.4216 8.4468 117.4790 61.2312 37.7849 178.9561 147 K 3.9539 8.1563 120.0853 59.7585 32.2024 178.8356 148 E 4.0865 7.9907 116.7929 58.7838 29.4063 178.5041 149 L 4.4201 7.8302 117.4042 54.8172 42.0782 177.3086 150 G 3.9814 8.2451 107.1029 45.9643 0.0000 173.7465 151 Y 4.3188 7.8040 121.4677 57.6473 40.8493 176.7715 152 Q 3.0654 7.6486 116.4506 56.1566 27.3551 175.2753 153 G 3.0661 8.1489 115.3488 45.8226 0.0000 171.9294 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 4.41 0.00 2.12 2.13 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 2.53 0.00 1 V 7.84 4.14 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 0.84 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.23 0.00 0.90 0.81 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.67 4.57 0.00 4.05 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 4 E 8.76 4.31 0.00 2.20 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 2.43 2.51 0.00 5 G 8.10 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 6 E 8.04 3.89 0.00 1.97 1.72 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 2.21 2.26 0.00 7 W 8.08 4.41 0.00 3.51 3.16 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 8 Q 8.48 4.13 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 9 L 7.98 4.07 0.00 1.90 1.76 0.89 0.84 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 10 V 7.99 3.77 2.42 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 1.19 0.00 0.00 0.95 0.00 0.00 11 L 8.64 4.33 0.00 1.83 1.81 0.95 0.89 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 12 H 8.73 4.24 0.00 3.39 3.53 0.00 5.77 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 13 V 7.88 3.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.87 0.00 0.00 14 W 8.45 3.88 0.00 3.63 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 15 A 8.01 3.98 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 16 K 7.27 3.91 0.00 1.27 1.66 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 17 V 7.00 2.78 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 0.00 0.00 -0.07 0.00 0.00 0.38 0.00 0.00 18 E 7.54 3.83 0.00 1.98 1.92 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 2.28 2.03 0.00 19 A 7.43 4.23 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 20 D 7.90 4.62 0.00 2.69 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 7.95 3.51 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 1.09 0.00 0.00 0.83 0.00 0.00 22 A 8.00 4.10 1.31 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 0.00 0.00 23 G 8.30 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 24 H 8.23 4.12 0.00 3.28 3.27 0.00 5.83 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 8.50 3.74 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 0.00 0.00 0.00 26 Q 8.11 3.94 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 27 D 7.93 4.31 0.00 2.92 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 28 I 7.75 3.53 1.97 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 1.44 0.71 0.53 0.00 0.00 29 F 8.03 3.21 0.00 3.03 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 30 I 7.85 3.72 1.93 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 1.44 0.63 0.90 0.00 0.00 31 R 7.86 3.75 0.00 1.92 2.10 0.00 2.98 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 32 L 7.83 3.83 0.00 1.49 1.30 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.94 4.64 0.00 3.10 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 34 K 8.19 4.06 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.73 7.81 35 S 8.37 4.29 0.00 3.65 3.51 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 36 H 8.52 4.71 0.00 2.86 2.90 0.00 5.63 0.00 0.00 0.00 0.00 6.85 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 4.65 0.00 2.17 2.12 0.00 3.84 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 2.10 2.00 0.00 38 E 8.28 4.10 0.00 2.30 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 2.35 2.56 0.00 39 T 8.28 3.83 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 0.77 0.00 0.00 40 L 7.98 3.83 0.00 1.49 1.77 0.01 0.82 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 41 E 8.06 4.13 0.00 2.26 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 2.39 2.41 0.00 42 K 8.15 4.43 0.00 1.89 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.72 2.01 7.81 43 F 8.15 4.39 0.00 3.27 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 44 D 8.46 4.37 0.00 2.58 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 7.65 3.88 0.00 1.23 0.66 0.00 3.09 0.00 0.00 2.97 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 46 F 7.47 5.04 0.00 2.83 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 47 K 7.72 4.57 0.00 1.88 1.84 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.68 7.81 48 H 8.21 4.31 0.00 3.28 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 7.44 4.05 0.00 1.58 1.58 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.53 4.35 0.00 1.76 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.51 7.81 51 T 7.31 4.75 4.24 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 1.21 0.00 0.00 52 E 8.66 3.96 0.00 2.06 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 2.37 2.37 0.00 53 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 54 E 7.95 3.92 0.00 2.14 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 2.35 2.34 0.00 55 M 8.17 4.16 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 56 K 8.34 3.99 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.53 7.81 57 A 7.58 4.39 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 58 S 7.51 4.34 0.00 3.87 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 59 E 8.89 3.96 0.00 2.13 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 2.38 2.46 0.00 60 D 8.20 4.46 0.00 3.05 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 61 L 7.80 3.13 0.00 0.94 1.49 -0.04 0.45 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 62 K 7.76 3.84 0.00 1.86 1.90 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.19 3.96 0.00 2.00 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.73 7.81 64 H 8.54 4.27 0.00 3.41 3.30 0.00 5.79 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 65 G 8.20 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 66 V 7.76 3.62 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 1.05 0.00 0.00 0.98 0.00 0.00 67 T 8.10 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 V 8.01 3.67 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.06 0.00 0.00 69 L 8.30 4.22 0.00 1.84 1.92 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.25 3.95 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.08 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 72 L 8.32 3.72 0.00 1.67 1.73 0.24 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.60 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 0.00 0.00 0.00 74 A 7.77 4.07 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 75 I 7.25 3.87 1.84 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 1.54 0.87 0.88 0.00 0.00 76 L 7.91 4.01 0.00 1.41 1.54 -0.13 0.97 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 77 K 7.64 4.00 0.00 1.68 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.56 7.81 78 K 7.89 3.90 0.00 1.92 1.79 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.84 7.81 79 K 8.29 2.00 0.00 1.36 0.74 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.78 7.81 80 G 8.16 4.07 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 0.00 0.00 0.00 81 H 7.70 5.02 0.00 3.18 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.20 5.17 0.00 3.32 3.42 0.00 5.68 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 83 E 8.58 3.97 0.00 2.09 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 2.43 2.49 0.00 84 A 7.93 4.04 1.31 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 0.00 0.00 85 E 8.20 4.09 0.00 2.28 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 8.23 4.27 0.00 1.96 1.74 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.84 3.95 0.00 1.99 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.34 0.00 2.31 2.34 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.52 4.01 0.00 1.87 1.97 0.99 1.32 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 90 A 8.74 4.25 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 91 Q 8.28 3.89 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.22 4.06 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 8.55 4.08 0.00 3.66 3.64 0.00 5.80 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 8.04 2.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.61 4.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 96 K 7.75 4.21 0.00 1.55 1.58 0.00 1.71 0.00 0.00 1.50 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 1.31 7.81 97 H 7.93 4.28 0.00 3.00 3.16 0.00 5.83 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 98 K 7.39 3.12 0.00 1.79 1.83 0.00 1.40 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.21 7.81 99 I 7.99 4.32 2.16 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 1.44 1.02 1.18 0.00 0.00 100 P 0.00 4.49 0.00 1.93 2.09 0.00 3.27 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 0.71 1.48 0.00 101 I 8.48 3.60 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.85 0.00 0.00 102 K 7.99 3.74 0.00 1.71 1.62 0.00 1.19 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 0.76 7.81 103 Y 7.95 4.16 0.00 3.16 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 7.89 4.21 0.00 1.81 1.81 0.75 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.23 3.99 0.00 2.02 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 2.33 2.31 0.00 106 F 7.73 4.49 0.00 3.12 2.89 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 0.00 107 I 8.13 3.85 1.91 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.24 1.03 0.00 0.00 108 S 8.04 4.18 0.00 4.20 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 8.19 4.07 0.00 2.09 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 2.35 2.39 0.00 110 A 8.05 3.99 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 7.88 3.68 2.06 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 1.57 0.68 1.01 0.00 0.00 112 I 7.88 3.78 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 1.11 0.00 0.00 113 H 8.50 4.13 0.00 3.33 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.94 3.56 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 1.00 0.00 0.00 0.98 0.00 0.00 115 L 7.99 3.78 0.00 0.45 0.46 0.63 1.10 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 0.00 116 H 8.01 4.40 0.00 3.48 3.62 0.00 5.96 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 0.00 117 S 7.89 4.20 0.00 3.92 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 0.00 118 R 7.99 4.01 0.00 1.67 1.53 0.00 2.84 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 119 H 8.28 5.05 0.00 3.19 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.75 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 4.27 0.00 2.20 2.27 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.13 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 0.00 122 N 8.33 5.01 0.00 2.79 2.96 0.00 0.00 6.67 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 0.00 123 F 7.91 4.95 0.00 3.05 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 0.00 124 G 7.83 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 0.00 125 A 8.43 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 2.64 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 0.00 127 A 7.82 3.93 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 0.00 128 Q 7.89 3.19 0.00 1.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 129 G 8.17 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.04 3.90 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 8.32 3.97 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.88 0.00 132 N 8.54 4.30 0.00 2.89 2.93 0.00 0.00 6.90 6.33 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 0.00 133 K 8.12 3.83 0.00 1.98 1.64 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.38 7.81 134 A 8.03 3.83 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 8.18 4.14 0.00 1.76 1.81 0.97 0.70 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 0.00 136 E 8.58 3.99 0.00 2.12 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 2.34 2.59 0.00 137 L 8.18 3.93 0.00 1.84 1.95 1.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.32 4.14 0.00 3.07 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 0.00 139 R 8.31 3.43 0.00 1.98 1.84 0.00 3.16 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 1.60 1.87 0.00 140 K 8.19 3.81 0.00 1.76 2.02 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.15 4.34 0.00 2.87 2.68 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 0.00 142 I 7.58 3.48 1.24 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.15 0.08 0.00 0.00 143 A 8.02 3.71 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 0.00 144 A 7.91 3.94 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 0.00 145 K 8.05 3.96 0.00 2.04 1.95 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.45 4.42 0.00 3.38 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.16 3.95 0.00 1.99 1.89 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.99 4.09 0.00 2.05 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 2.64 0.00 149 L 7.83 4.42 0.00 1.85 1.72 0.99 1.05 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 0.00 150 G 8.25 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 0.00 0.00 0.00 151 Y 7.80 4.32 0.00 2.51 2.68 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 0.00 152 Q 7.65 3.07 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 153 G 8.15 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 0.00 0.00 0.00