NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8676 8.0632 118.1458 55.1935 33.4834 173.7678 2 K 4.7360 8.4589 120.8155 54.9544 34.0840 173.8315 3 I 4.8643 9.0409 126.8097 59.3618 40.6146 173.9890 4 L 4.5793 8.7247 129.8449 53.8489 43.7349 175.2226 5 V 4.7789 8.9505 127.2792 61.6121 33.2220 174.1434 6 I 5.0303 8.7322 130.1201 59.8841 39.3901 174.8705 7 Q 4.7904 9.2935 126.5711 54.3168 31.4609 175.9763 8 G 4.2003 8.8626 115.9491 43.9649 0.0000 171.0011 9 P 4.3803 0.0000 0.0000 63.9515 31.9672 176.8029 10 N 4.4704 9.1462 116.6389 53.9250 38.2604 176.7501 11 L 3.9019 7.3845 118.6257 57.4815 41.7980 179.0503 12 N 4.2019 8.0611 114.7781 55.7286 37.3118 175.3613 13 M 4.3598 7.9018 117.4685 55.1720 32.3380 176.0147 14 L 4.0365 7.5367 119.9685 56.4027 42.2131 178.1934 15 G 4.0523 8.7637 109.9047 46.2157 0.0000 174.1263 16 H 4.7668 7.7893 115.1260 56.4380 29.7840 175.5750 17 R 4.5607 7.4913 116.0986 55.3094 34.3311 174.3710 18 D 4.3532 8.8123 118.6722 54.1358 39.7651 172.4787 19 P 4.6682 0.0000 0.0000 65.5719 31.3447 178.0665 20 R 3.8285 7.9493 116.9161 59.1268 29.9773 177.6993 21 L 3.9190 7.6061 118.6252 57.3209 42.3528 176.8685 22 Y 4.5209 7.9080 112.6364 57.2326 39.2770 175.6796 23 G 3.9434 8.6368 106.8056 45.2713 0.0000 173.9470 24 M 4.2414 8.1300 116.3578 55.7006 32.7422 177.0457 25 V 3.9802 7.6249 119.5219 62.3661 32.4491 176.2903 26 T 4.3717 8.9023 118.6880 60.6041 71.2521 175.6897 27 L 3.6820 8.0722 122.3638 58.4272 42.0169 178.6040 28 D 4.1942 7.9027 118.2115 57.4475 40.7084 178.7436 29 Q 3.9696 7.6885 118.5953 58.7235 28.6302 178.6071 30 I 3.6425 7.6511 120.9553 64.7057 37.1029 178.2305 31 H 3.8063 7.7028 117.0212 58.4930 28.1959 177.5510 32 E 3.9317 7.8437 121.0315 59.2303 29.4923 178.8066 33 I 3.7628 7.7884 119.9355 64.7056 37.1528 178.3446 34 M 4.4252 8.2449 120.9430 58.0871 31.8099 178.8609 35 Q 4.1807 8.3371 118.2617 59.3693 28.8579 178.9817 36 T 3.9644 8.4855 117.2542 66.3230 68.4107 176.5427 37 F 4.0122 8.4051 122.8607 61.1819 39.3892 177.3586 38 V 3.6023 8.0054 117.7223 65.9511 31.4225 177.6589 39 K 3.8462 8.1822 119.3604 59.9118 31.7637 178.7072 40 Q 4.0756 8.0653 117.0116 58.7712 28.8069 178.4597 41 G 3.4975 7.8190 104.7874 45.0005 0.0000 172.8311 42 N 4.1705 7.5215 117.3814 54.1292 36.7173 174.4236 43 L 4.3661 7.6829 116.3177 54.3148 43.4009 178.2027 44 D 4.6436 8.3137 123.1613 52.8936 39.6556 174.8601 45 V 4.6732 7.3992 119.2089 60.7400 35.1639 174.0502 46 E 4.6017 9.5400 129.6336 54.5331 31.3415 174.4813 47 L 4.7793 8.4468 127.2427 53.7689 43.2701 175.6653 48 E 4.4540 8.7052 123.9561 54.2755 32.3891 174.3215 49 F 5.3060 8.5550 124.9649 55.8533 41.4699 175.0763 50 F 4.9184 9.3201 125.1880 56.9186 42.5217 172.7535 51 Q 5.3986 8.0905 126.6759 53.9955 31.5401 174.1555 52 T 4.5072 7.9579 117.1736 61.4237 70.1884 172.8049 53 N 4.6692 9.0630 122.8837 53.3164 39.4804 175.2566 54 F 4.8184 8.4445 119.4282 55.5536 40.9480 175.8392 55 E 3.8147 8.9304 124.7095 59.4821 29.3783 179.1755 56 G 3.6835 8.1511 105.0156 47.7795 0.0000 175.4029 57 E 4.0972 8.3502 120.4381 59.1769 29.5759 179.2250 58 I 3.9362 7.9586 119.7864 64.5264 37.2239 178.5655 59 I 3.7197 7.8220 120.5734 64.5229 37.0400 178.1083 60 D 4.3497 8.2719 119.8405 57.3148 40.3935 179.0125 61 K 3.7312 7.8391 118.9981 59.4140 32.5298 178.5706 62 I 3.7786 7.8153 120.1252 64.6614 36.9826 178.5058 63 Q 4.0430 8.2327 118.6924 58.6996 28.2806 178.1277 64 E 4.1919 7.7542 118.8762 58.1116 29.6751 177.9263 65 S 4.7446 7.4688 112.2718 59.3073 63.0166 175.4062 66 V 3.6697 7.5462 122.6535 66.1507 31.5703 176.7550 67 G 3.7623 7.8929 108.8771 45.6940 0.0000 173.9898 68 S 4.6620 8.4196 118.3595 58.9153 61.1300 173.1478 69 D 4.5757 7.7831 120.8964 55.6193 43.1931 176.8076 70 Y 4.8699 7.0463 115.3701 56.6577 39.4365 175.5051 71 E 4.4733 9.2118 123.9062 57.8709 31.5652 176.1561 72 G 4.4554 7.8440 104.2923 45.0993 0.0000 172.0113 73 I 5.1524 8.6093 121.2258 59.2408 41.0680 174.6812 74 I 4.9354 8.9275 127.2000 59.5659 39.7951 174.3611 75 I 4.9238 9.2128 127.7115 59.2340 41.3067 173.6650 76 N 5.2062 9.0442 128.4867 50.5392 39.3957 173.0481 77 P 4.5126 0.0000 0.0000 62.2651 32.9268 177.9984 78 G 3.7532 8.4928 107.9808 46.1957 0.0000 176.3604 79 A 4.1574 8.2191 122.2958 54.8074 18.8174 179.4466 80 F 4.8408 7.4999 116.1160 59.4968 38.8903 177.5678 81 S 4.3638 7.9948 117.0426 61.2231 62.4311 175.8212 82 H 5.1133 8.2359 118.1976 56.4444 28.5104 176.1679 83 T 4.6523 7.8950 108.8614 61.2454 70.7282 173.0302 84 S 4.4503 8.3849 117.0914 56.9384 61.8749 174.1832 85 I 3.4057 7.8245 130.3889 63.6327 36.9318 177.9397 86 A 3.9163 7.7517 121.5454 55.1720 18.2294 179.5961 87 I 3.7034 8.1396 118.5604 64.1993 37.1003 178.4895 88 A 4.0261 7.8016 121.8378 55.3741 18.2651 179.4206 89 D 4.2652 8.3815 117.4070 57.3620 40.6364 178.8493 90 A 3.9919 7.8014 120.2659 55.1926 18.6643 179.3254 91 I 3.8090 8.0812 118.6027 65.0050 37.0107 178.5470 92 M 4.0957 7.9631 117.9923 58.4190 31.8603 178.4972 93 L 4.1844 7.9413 117.4128 56.8688 41.6711 178.8594 94 A 4.1850 7.8976 121.2098 52.9036 18.0022 178.4931 95 G 4.5565 8.0931 103.0530 46.4077 0.0000 173.0988 96 K 4.7244 7.2516 116.8896 52.8818 35.6476 174.3770 97 P 4.4786 0.0000 0.0000 63.0561 32.5278 175.2634 98 V 4.9898 8.3947 122.0979 61.1491 35.1723 173.7888 99 I 4.7924 8.5865 127.7574 59.4853 40.4790 173.8986 100 E 5.0241 8.9396 127.5181 54.6258 31.5393 174.6254 101 V 4.7899 8.6575 126.1148 61.3327 34.9040 173.7249 102 H 4.9962 9.1464 124.3566 53.9120 31.7688 174.7757 103 L 4.1435 8.9192 122.9230 57.5966 42.5432 177.5639 104 T 4.4966 7.8474 106.6282 59.6458 70.9514 173.9938 105 N 4.4654 8.2235 120.9625 52.7761 37.8599 175.1920 106 I 4.0514 8.0561 118.3814 61.7810 38.0848 177.0321 107 Q 4.0525 8.1417 120.1029 57.6766 28.8238 176.4717 108 A 4.7493 7.8456 120.0929 51.6499 19.9367 176.5815 109 R 4.5330 7.3495 118.9859 56.5257 32.2290 175.3047 110 E 3.8393 8.2062 120.9516 57.0745 30.3240 177.5700 111 E 3.8741 8.4332 122.0014 59.0967 29.8670 178.6989 112 F 4.4854 7.5293 111.8148 58.4512 38.2146 175.9258 113 R 3.8113 7.3176 119.4792 56.6806 30.4771 177.7523 114 K 4.1634 7.7047 117.7389 59.0080 32.5015 177.4113 115 N 4.3466 7.9208 117.6140 53.1779 39.6761 173.5566 116 S 4.6336 8.1931 118.4292 55.7046 64.0389 173.7370 117 Y 4.3330 8.1592 126.7173 61.3019 38.0107 178.4466 118 T 4.1960 8.1703 110.1740 64.9490 68.8293 176.5606 119 G 3.6064 8.3410 108.5569 47.3160 0.0000 175.5321 120 A 4.0805 7.9305 121.8809 54.7175 18.4164 179.0587 121 A 4.1902 7.7076 117.9360 53.5676 19.0814 177.8026 122 C 4.4318 7.0830 114.4015 59.1056 29.1332 174.1578 123 G 3.7918 8.3090 110.2820 49.2171 0.0000 174.0485 124 G 4.4585 7.8406 105.3520 44.7051 0.0000 172.0600 125 V 5.1016 8.2963 120.0324 60.9078 34.9813 174.6871 126 I 4.9187 8.7492 127.4201 59.7210 40.6343 174.3210 127 M 5.6418 8.3380 122.8723 54.7558 34.0570 175.1351 128 G 3.6757 9.1711 109.2189 45.7604 0.0000 173.5588 129 F 4.6217 8.0274 115.5470 56.0145 40.0795 177.9728 130 G 3.8780 8.0188 110.6881 45.3082 0.0000 173.0805 131 P 4.4845 0.0000 0.0000 65.9979 31.8220 177.9912 132 L 4.0871 8.3099 119.0596 58.2440 41.6809 178.9456 133 G 3.6423 8.3832 105.6362 48.2138 0.0000 175.2074 134 Y 4.1069 8.0714 118.6830 60.9642 37.8745 178.1409 135 N 3.9864 8.0586 116.9867 56.0447 38.6391 177.2829 136 M 3.9995 7.9826 120.2844 58.1603 31.9584 178.5967 137 A 3.9631 8.1313 121.1327 54.8917 18.5187 179.6301 138 L 3.8847 7.7724 117.5174 58.1910 41.8381 179.1210 139 M 4.0861 7.8783 117.7731 58.8384 32.0316 178.1593 140 A 3.9479 7.9365 120.5097 55.4178 18.5332 179.2604 141 M 3.9470 8.6337 117.0848 58.6839 32.3188 178.4305 142 V 3.5942 8.2729 118.8014 66.2050 31.7426 177.5117 143 N 4.3496 8.1142 116.4551 56.7980 38.7400 176.9196 144 I 3.7796 7.9635 121.4093 64.3150 37.2165 178.4446 145 L 4.0409 8.3860 120.0741 57.4787 41.3556 179.3953 146 A 4.0143 8.1236 120.9361 55.1556 18.4353 179.3114 147 E 3.9069 8.3337 117.8753 59.6839 29.7267 178.9509 148 M 4.1577 8.2939 118.9065 58.0652 31.9796 178.6842 149 K 3.9098 8.2831 119.5618 59.4558 32.2475 178.4087 150 A 4.0088 7.9579 119.8569 55.5568 18.3379 179.1225 151 F 4.2681 8.0223 117.2440 61.5648 39.4959 177.0806 152 Q 3.9465 8.0435 116.9326 58.4235 28.5726 176.6256 153 E 4.2590 8.0395 123.3608 56.4999 29.7984 176.2324 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 1 M 8.06 4.87 0.00 2.15 2.44 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 2 K 8.46 4.74 0.00 2.02 1.86 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.71 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 I 9.04 4.86 1.86 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 1.14 0.75 0.91 0.00 0.00 4 L 8.72 4.58 0.00 1.32 1.32 0.69 0.06 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 5 V 8.95 4.78 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 1.06 0.00 0.00 0.90 0.00 0.00 6 I 8.73 5.03 1.96 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 1.44 0.55 1.08 0.00 0.00 7 Q 9.29 4.79 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 8 G 8.86 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.38 0.00 1.78 1.62 0.00 3.66 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 10 N 9.15 4.47 0.00 2.79 2.90 0.00 0.00 7.03 6.25 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 11 L 7.38 3.90 0.00 1.69 1.64 0.88 0.55 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 12 N 8.06 4.20 0.00 2.79 3.06 0.00 0.00 6.04 7.66 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 13 M 7.90 4.36 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 14 L 7.54 4.04 0.00 1.64 1.69 0.95 1.22 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 15 G 8.76 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 16 H 7.79 4.77 0.00 3.31 3.33 0.00 5.62 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 17 R 7.49 4.56 0.00 1.76 1.81 0.00 3.53 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 18 D 8.81 4.35 0.00 2.83 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 19 P 0.00 4.67 0.00 2.30 2.32 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 20 R 7.95 3.83 0.00 1.80 2.13 0.00 3.20 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 21 L 7.61 3.92 0.00 1.52 1.60 0.62 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.91 4.52 0.00 3.01 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 23 G 8.64 3.94 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 0.00 0.00 0.00 24 M 8.13 4.24 0.00 2.01 2.12 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 2.55 2.46 0.00 25 V 7.62 3.98 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 0.79 0.00 0.00 0.94 0.00 0.00 26 T 8.90 4.37 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 1.07 0.00 0.00 27 L 8.07 3.68 0.00 1.75 1.53 0.73 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.90 4.19 0.00 2.64 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 29 Q 7.69 3.97 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 30 I 7.65 3.64 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.52 0.00 0.00 31 H 7.70 3.81 0.00 2.53 1.38 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.84 3.93 0.00 1.98 1.90 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 2.30 2.39 0.00 33 I 7.79 3.76 2.04 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 1.55 0.91 1.02 0.00 0.00 34 M 8.24 4.43 0.00 2.23 2.46 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.63 0.00 35 Q 8.34 4.18 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.86 2.75 0.00 36 T 8.49 3.96 4.32 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 1.25 0.00 0.00 37 F 8.41 4.01 0.00 3.36 3.28 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 38 V 8.01 3.60 2.35 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 1.08 0.00 0.00 1.11 0.00 0.00 39 K 8.18 3.85 0.00 2.03 1.98 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.55 7.81 40 Q 8.07 4.08 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 41 G 7.82 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 42 N 7.52 4.17 0.00 2.81 2.85 0.00 0.00 6.97 8.86 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 43 L 7.68 4.37 0.00 1.71 1.63 1.08 1.01 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 44 D 8.31 4.64 0.00 2.64 2.61 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 0.00 0.00 0.00 0.00 45 V 7.40 4.67 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 0.87 0.00 0.00 0.98 0.00 0.00 46 E 9.54 4.60 0.00 2.02 1.77 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 2.19 2.25 0.00 47 L 8.45 4.78 0.00 1.25 0.75 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.71 4.45 0.00 2.06 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 2.20 2.28 0.00 49 F 8.55 5.31 0.00 2.96 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 50 F 9.32 4.92 0.00 3.07 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 51 Q 8.09 5.40 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.01 0.00 52 T 7.96 4.51 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 1.34 0.00 0.00 53 N 9.06 4.67 0.00 2.63 2.67 0.00 0.00 6.88 7.45 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 54 F 8.44 4.82 0.00 3.16 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 55 E 8.93 3.81 0.00 1.16 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 56 G 8.15 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 57 E 8.35 4.10 0.00 2.42 2.37 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 2.42 2.37 0.00 58 I 7.96 3.94 2.15 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.04 1.02 0.00 0.00 59 I 7.82 3.72 1.87 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 1.51 0.86 0.90 0.00 0.00 60 D 8.27 4.35 0.00 2.91 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 61 K 7.84 3.73 0.00 1.56 1.84 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.05 1.16 7.81 62 I 7.82 3.78 1.99 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 1.51 0.83 0.94 0.00 0.00 63 Q 8.23 4.04 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 64 E 7.75 4.19 0.00 2.08 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 2.45 2.34 0.00 65 S 7.47 4.74 0.00 4.12 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 66 V 7.55 3.67 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 0.77 0.00 0.00 0.98 0.00 0.00 67 G 7.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.42 4.66 0.00 3.85 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 69 D 7.78 4.58 0.00 2.20 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 0.00 0.00 0.00 70 Y 7.05 4.87 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.21 4.47 0.00 1.94 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 2.28 2.27 0.00 72 G 7.84 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 0.00 0.00 0.00 0.00 73 I 8.61 5.15 1.86 0.00 0.00 0.79 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 0.86 0.96 0.00 0.00 74 I 8.93 4.94 1.96 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 1.14 0.81 1.06 0.00 0.00 75 I 9.21 4.92 1.92 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 1.25 2.01 0.96 0.00 0.00 76 N 9.04 5.21 0.00 2.94 2.98 0.00 0.00 7.09 7.50 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 77 P 0.00 4.51 0.00 2.41 2.20 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 78 G 8.49 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 79 A 8.22 4.16 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 80 F 7.50 4.84 0.00 3.22 2.98 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 81 S 7.99 4.36 0.00 3.72 3.90 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 82 H 8.24 5.11 0.00 3.25 3.49 0.00 5.56 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.89 4.65 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 84 S 8.38 4.45 0.00 3.84 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 85 I 7.82 3.41 1.61 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 0.37 -0.36 0.70 0.00 0.00 86 A 7.75 3.92 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 87 I 8.14 3.70 1.91 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 1.46 0.62 0.97 0.00 0.00 88 A 7.80 4.03 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 89 D 8.38 4.27 0.00 2.78 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 90 A 7.80 3.99 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 91 I 8.08 3.81 2.05 0.00 0.00 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 1.54 1.27 0.96 0.00 0.00 92 M 7.96 4.10 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 93 L 7.94 4.18 0.00 1.77 1.72 0.94 0.66 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 94 A 7.90 4.19 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 95 G 8.09 4.56 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 96 K 7.25 4.72 0.00 1.57 1.89 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 97 P 0.00 4.48 0.00 2.12 2.18 0.00 3.87 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 2.08 1.97 0.00 98 V 8.39 4.99 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 1.02 0.00 0.00 1.00 0.00 0.00 99 I 8.59 4.79 1.87 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 1.11 0.61 0.89 0.00 0.00 100 E 8.94 5.02 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 101 V 8.66 4.79 1.62 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 0.25 0.00 0.00 0.72 0.00 0.00 102 H 9.15 5.00 0.00 3.09 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.92 4.14 0.00 1.81 1.87 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.85 4.50 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 105 N 8.22 4.47 0.00 2.61 2.67 0.00 0.00 6.64 7.78 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 0.00 106 I 8.06 4.05 1.98 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 1.35 0.66 0.81 0.00 0.00 107 Q 8.14 4.05 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.38 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 108 A 7.85 4.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.35 4.53 0.00 1.60 1.56 0.00 3.13 0.00 0.00 3.16 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.71 0.00 110 E 8.21 3.84 0.00 1.16 1.12 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 2.00 2.07 0.00 111 E 8.43 3.87 0.00 1.97 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 2.35 2.33 0.00 112 F 7.53 4.49 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.32 3.81 0.00 1.72 1.83 0.00 3.04 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.00 114 K 7.70 4.16 0.00 1.88 1.82 0.00 1.71 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.28 7.81 115 N 7.92 4.35 0.00 2.66 2.53 0.00 0.00 6.59 7.18 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 0.00 116 S 8.19 4.63 0.00 3.89 3.71 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 0.00 117 Y 8.16 4.33 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 0.00 118 T 8.17 4.20 4.33 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 1.34 0.00 0.00 119 G 8.34 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.93 4.08 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 0.00 121 A 7.71 4.19 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 0.00 122 C 7.08 4.43 0.00 3.13 3.02 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 0.00 123 G 8.31 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 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 0.00 0.00 0.00 0.00 125 V 8.30 5.10 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 0.90 0.00 0.00 0.95 0.00 0.00 126 I 8.75 4.92 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.47 0.97 0.00 0.00 127 M 8.34 5.64 0.00 2.02 2.16 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 2.42 2.41 0.00 128 G 9.17 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 0.00 129 F 8.03 4.62 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.02 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 0.00 131 P 0.00 4.48 0.00 2.26 2.22 0.00 3.69 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 2.17 2.18 0.00 132 L 8.31 4.09 0.00 1.81 1.98 0.91 1.06 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 0.00 133 G 8.38 3.64 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 0.00 0.00 0.00 134 Y 8.07 4.11 0.00 3.22 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 0.00 135 N 8.06 3.99 0.00 2.71 2.01 0.00 0.00 7.16 7.66 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 0.00 136 M 7.98 4.00 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 137 A 8.13 3.96 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 0.00 138 L 7.77 3.88 0.00 1.67 1.70 1.02 0.90 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 0.00 139 M 7.88 4.09 0.00 2.29 2.24 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 2.67 2.60 0.00 140 A 7.94 3.95 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 0.00 141 M 8.63 3.95 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 142 V 8.27 3.59 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 0.98 0.00 0.00 1.04 0.00 0.00 143 N 8.11 4.35 0.00 2.93 2.95 0.00 0.00 7.30 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 0.00 144 I 7.96 3.78 2.00 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 1.52 0.52 0.91 0.00 0.00 145 L 8.39 4.04 0.00 1.69 1.73 0.95 0.87 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 0.00 146 A 8.12 4.01 1.40 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 0.00 0.00 147 E 8.33 3.91 0.00 2.25 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 2.32 2.37 0.00 148 M 8.29 4.16 0.00 2.16 2.32 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 2.61 2.55 0.00 149 K 8.28 3.91 0.00 2.02 1.98 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.48 7.81 150 A 7.96 4.01 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 0.00 151 F 8.02 4.27 0.00 3.07 3.32 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 0.00 152 Q 8.04 3.95 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.79 0.00 153 E 8.04 4.26 0.00 2.06 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 2.31 2.44 0.00