NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4550 8.2893 118.1966 54.7099 32.8227 175.6390 2 P 4.5163 0.0000 0.0000 61.1119 29.2936 170.6565 3 E 4.8201 8.4989 123.6077 56.2498 34.9003 175.7925 4 I 4.6977 8.4502 119.9407 59.8857 40.4402 175.3733 5 R 4.6837 8.5197 126.0275 54.4401 32.6806 174.8064 6 L 4.6403 8.7151 125.9445 55.1331 42.4561 175.7783 7 R 4.5778 8.4186 120.2139 57.6031 31.6883 175.3985 8 H 4.8217 7.3943 111.8826 54.4497 32.0119 172.9239 9 V 4.2478 8.4328 119.8169 60.9953 30.1247 176.1691 10 V 3.9038 8.6739 127.3085 64.9683 31.3351 176.2547 11 S 4.9713 8.3370 116.5858 55.6189 65.8527 172.0926 12 C 4.9468 8.5152 118.7510 56.2174 32.2701 174.1010 13 S 4.7630 10.3311 122.8158 55.7776 63.5611 173.8722 14 S 6.2190 7.3298 127.5829 58.7828 63.0600 175.0119 15 Q 5.4566 7.2038 122.7336 53.8900 32.7701 174.3197 16 D 5.0963 8.5109 124.5226 53.7275 43.0625 174.9545 17 S 4.5008 8.2882 113.0224 61.4505 64.2393 175.5736 18 T 3.9516 7.8145 111.8084 63.9378 68.8300 175.3125 19 H 4.7423 7.6690 122.7214 53.4921 27.5516 174.1100 20 C 4.7139 7.7610 118.6274 56.2298 32.1102 175.6214 21 A 4.1492 8.6623 121.0901 54.9463 17.7343 179.2032 22 E 3.9698 8.2710 117.3587 59.0328 29.6051 178.2069 23 N 4.4674 8.2742 116.1673 55.6484 38.2815 176.9631 24 L 4.0451 8.0067 120.5276 57.4413 41.7098 178.9337 25 L 4.2239 7.8323 118.1314 55.9386 42.7969 177.5792 26 K 4.4821 7.6364 117.9159 53.4834 31.7772 175.1567 27 A 4.2730 8.1859 124.7798 55.7221 20.0167 179.7109 28 D 4.9306 7.8522 115.7961 53.0719 41.7117 182.1879 29 T 3.5692 9.3703 120.4755 63.2017 68.8941 172.0695 30 Y 4.9989 8.2085 110.1178 56.0911 39.3971 173.7901 31 R 4.6370 7.4077 114.5573 56.0110 34.7808 175.4156 32 K 4.7100 8.0509 119.1557 55.1044 35.0725 174.9456 33 W 5.0376 8.5410 129.5800 57.6966 32.5533 176.9779 34 R 4.6291 8.3310 123.6834 53.9689 33.5659 174.5558 35 A 4.5092 8.9941 125.3200 51.2916 19.1212 178.5847 36 A 4.1813 8.9010 121.5722 53.7622 18.7991 177.2536 37 K 4.5009 7.2086 113.1821 55.7048 35.8600 174.2456 38 A 4.4578 8.2959 121.3878 52.4708 21.1308 176.2137 39 G 4.2270 7.6703 100.0351 46.0352 0.0000 175.2334 40 E 4.0882 7.8415 119.6788 56.9296 28.2706 178.6488 41 K 4.0979 8.1746 123.0730 58.7533 34.8397 177.2884 42 T 5.0578 7.3407 107.9166 60.1577 71.3944 172.9357 43 I 5.3208 8.7985 118.1077 58.1988 41.2878 174.3495 44 S 5.4780 9.0317 120.0366 57.1068 67.2880 173.8271 45 V 4.3846 8.7844 122.3810 60.8463 34.6174 172.7981 46 V 4.4798 8.5084 126.7848 61.3611 33.0876 174.6489 47 L 4.9805 8.7084 127.9317 53.2459 44.4855 175.3759 48 Q 4.7434 9.0358 123.3253 55.1788 31.2618 174.1935 49 L 4.9265 8.6879 125.5891 52.9821 43.2622 177.0134 50 E 4.2425 9.3311 125.9392 57.7564 29.9380 176.7172 51 K 4.4184 7.7441 115.2473 56.5034 35.8970 174.8458 52 E 4.4790 8.9434 125.7135 56.2480 30.2236 174.9644 53 E 4.7274 9.0180 124.9862 55.3158 33.7764 174.1802 54 Q 4.9728 8.4860 117.6124 54.4310 30.6872 175.4980 55 I 4.4729 8.4420 122.0629 60.2025 38.4331 175.0332 56 H 4.8443 9.1483 126.1030 57.0133 32.1823 173.9016 57 S 5.1347 8.5919 112.4063 57.3821 67.8860 173.4828 58 V 4.4696 8.9509 120.6453 61.7135 35.8399 173.7755 59 D 5.2639 9.6821 124.5994 52.9758 43.8346 173.8207 60 I 4.7543 9.1894 126.7176 59.1683 41.3378 174.8717 61 G 3.8276 6.5036 112.7827 43.9377 0.0000 172.0688 62 N 4.9812 8.3689 122.0336 51.7225 38.3838 175.3147 63 D 4.7443 8.7821 121.9888 52.2134 39.3376 175.9317 64 G 3.1709 8.0660 108.0926 45.6742 0.0000 172.0898 65 S 4.4208 7.3685 113.9993 58.7858 63.8711 172.9348 66 A 4.4590 8.4252 118.8112 53.4381 21.7376 175.8992 67 F 5.4192 7.8725 114.2088 56.0394 41.5383 175.4601 68 V 4.9173 8.7145 122.6962 61.4505 34.4167 173.5078 69 E 5.1523 9.2552 129.8065 53.8697 32.2501 174.7255 70 V 4.8735 8.4916 124.6449 61.1855 34.8878 174.3429 71 L 5.1162 8.7411 126.9249 53.0805 45.2332 175.6703 72 V 4.5949 7.7537 113.3193 59.7594 35.4737 174.9706 73 G 2.9030 7.5422 108.4104 45.8310 0.0000 171.8443 74 S 5.6060 8.4187 114.6441 55.9863 65.1409 173.8829 75 S 4.3629 9.2036 114.9208 58.6265 63.0786 174.2558 76 A 4.1069 7.3536 124.3344 54.1011 18.4808 176.8675 77 G 4.1968 8.3664 113.6000 46.4616 0.0000 173.7299 78 G 3.7522 6.8163 109.2614 43.7912 0.0000 175.9938 79 A 4.3990 8.3172 120.5559 52.0352 16.2130 177.3344 80 G 3.6929 8.1646 114.0105 47.3221 0.0000 173.7130 81 E 4.3197 8.4987 116.2672 56.6365 26.9401 175.2229 82 Q 4.5493 7.8517 115.4083 56.5779 30.6972 174.1336 83 D 5.0064 8.4086 112.7439 53.7564 41.4596 174.2774 84 Y 4.6789 8.0086 115.3517 56.1546 41.7880 176.3380 85 E 4.5156 8.1114 119.8031 54.2844 32.6041 175.7999 86 V 4.0208 8.3023 122.2637 63.3229 29.5934 174.9638 87 L 4.3121 8.2883 129.0252 57.1086 43.5434 176.3698 88 L 4.9151 8.0756 119.1956 54.1179 43.8828 176.8324 89 V 4.7012 8.4566 116.8152 60.9493 32.9353 174.6259 90 T 4.3499 8.4549 116.2940 62.5672 68.0547 173.9026 91 S 4.6372 9.3225 124.4314 56.8800 65.1142 173.3542 92 S 5.0175 8.5182 120.1689 57.8142 62.7061 173.3657 93 F 4.8319 8.8404 124.6108 59.3324 39.9086 175.6817 94 M 4.9927 7.5398 117.7092 54.6699 34.2377 173.0097 95 S 4.2911 7.8127 113.3206 58.3544 63.8568 172.9537 96 P 4.7391 0.0000 0.0000 63.6940 31.5157 177.6164 97 S 4.4226 8.2360 115.9247 61.2669 62.1848 175.7398 98 E 4.1742 7.6135 120.2722 59.4330 28.9799 178.5861 99 S 4.2083 7.3372 110.4179 59.3217 62.5144 174.6976 100 R 4.4994 8.1636 118.6506 57.8853 31.3247 178.2385 101 S 4.6621 7.7265 114.1043 58.6302 63.8323 174.6568 102 G 3.9550 7.9613 105.3443 46.4131 0.0000 175.5735 103 S 4.2061 7.5001 115.8281 59.2048 60.5898 172.4392 104 N 4.0691 8.3153 118.8370 52.9728 35.2173 172.5378 105 P 4.9605 0.0000 0.0000 64.9095 33.3865 175.7413 106 N 5.0600 8.0278 116.2795 51.5000 41.4257 173.8033 107 R 4.8200 9.2378 122.1299 54.4851 35.1331 174.5533 108 V 4.7345 7.9106 111.9544 60.3780 36.2152 174.5753 109 R 4.2673 8.2972 120.3763 55.8614 33.6354 173.1290 110 M 5.2384 8.1349 121.0686 53.6369 36.2677 175.6504 111 F 4.5952 9.7582 118.4202 55.8135 41.7589 174.8791 112 G 4.3829 8.5556 122.8073 44.7539 0.0000 172.1370 113 P 4.0835 0.0000 0.0000 65.5531 31.8960 178.4060 114 D 4.3639 8.1449 117.4195 56.4904 41.2604 176.5075 115 K 4.5386 7.6045 116.1433 55.8701 32.4519 176.1090 116 L 5.1120 7.5996 119.5526 53.1332 43.2522 176.9056 117 V 3.7753 8.3360 121.2593 62.0206 31.7086 177.6248 118 R 4.1428 8.6790 121.8778 59.1045 29.8895 178.9904 119 A 4.0874 8.1655 119.0241 53.9321 18.5584 178.0941 120 A 4.8237 7.9037 117.4555 53.9529 20.7651 178.1596 121 A 3.7551 8.4742 120.8725 55.4313 18.4804 178.7738 122 E 4.4001 7.8912 110.3022 56.8118 30.5074 176.3549 123 K 4.1833 8.7620 121.9409 55.1129 33.9933 176.1781 124 R 3.9232 8.0954 123.5761 56.3333 30.3917 175.9416 125 W 4.9495 9.2451 124.6354 54.6963 32.8727 176.1286 126 D 5.0313 8.6056 117.3091 53.0933 41.4212 174.6728 127 R 5.3211 8.8705 118.3268 55.0133 34.9626 174.4484 128 V 4.8675 8.8292 121.3194 59.9258 35.4275 173.9403 129 K 4.4677 8.7883 124.9194 54.9585 34.0387 174.7345 130 I 4.7531 8.6726 129.3627 59.6164 39.4068 174.8818 131 V 4.8883 8.6998 127.3079 61.2949 34.2919 174.2284 132 C 5.2433 9.5984 128.8164 59.0016 34.0420 172.6071 133 S 4.9353 8.8056 119.2128 56.4654 67.4673 173.0518 134 Q 5.7581 7.9117 135.0000 55.3584 33.1203 171.3861 135 P 5.0019 0.0000 0.0000 62.1968 30.8840 175.3756 136 Y 4.6891 7.2996 121.1250 56.0354 39.9627 174.9960 137 S 4.9759 7.3179 116.3041 57.5107 65.4729 172.3665 138 K 4.4976 8.3595 119.9580 57.4270 38.8404 176.6149 139 D 4.9240 8.2843 116.3400 53.5060 41.1565 176.2905 140 S 4.7344 7.8503 113.0352 55.6597 64.9524 172.2507 141 P 4.7092 0.0000 0.0000 63.1421 33.8266 173.6673 142 F 4.2566 7.6021 112.9120 60.2409 45.2808 174.7330 143 G 4.1853 6.1485 113.8469 46.8496 0.0000 175.0850 144 L 5.2378 7.8367 124.7188 52.9480 44.3124 175.9062 145 S 4.6491 8.5020 116.7841 60.3394 64.1042 174.1853 146 F 4.7116 7.1239 112.5946 56.7370 40.4219 173.5101 147 V 4.6131 8.4777 112.1423 60.1120 35.4143 174.9149 148 R 4.4231 9.3152 124.5774 54.4695 33.2841 174.8816 149 F 5.0782 8.5178 122.6953 57.3212 40.9338 175.5473 150 H 5.1143 8.9890 118.2359 54.6462 33.3187 174.1949 151 S 4.3801 8.8657 117.2887 58.6004 63.1624 173.9586 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 8.29 4.46 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 P 0.00 4.52 0.00 2.20 2.14 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 3 E 8.50 4.82 0.00 1.86 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 2.27 2.38 0.00 4 I 8.45 4.70 2.20 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 1.06 0.00 0.00 5 R 8.52 4.68 0.00 1.88 1.77 0.00 3.28 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 6 L 8.72 4.64 0.00 1.59 1.60 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.42 4.58 0.00 1.76 1.71 0.00 3.38 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 8 H 7.39 4.82 0.00 3.20 3.37 0.00 5.50 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.43 4.25 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 0.83 0.00 0.00 0.89 0.00 0.00 10 V 8.67 3.90 2.38 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 0.85 0.00 0.00 1.00 0.00 0.00 11 S 8.34 4.97 0.00 3.83 3.62 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 12 C 8.52 4.95 0.00 3.01 2.85 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 13 S 10.33 4.76 0.00 3.74 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.33 6.22 0.00 4.61 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 15 Q 7.20 5.46 0.00 2.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 16 D 8.51 5.10 0.00 2.85 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 17 S 8.29 4.50 0.00 3.97 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 18 T 7.81 3.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 19 H 7.67 4.74 0.00 3.12 3.25 0.00 5.70 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 20 C 7.76 4.71 0.00 3.18 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 21 A 8.66 4.15 0.94 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 22 E 8.27 3.97 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 2.39 2.42 0.00 23 N 8.27 4.47 0.00 3.14 2.83 0.00 0.00 7.12 6.50 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 24 L 8.01 4.05 0.00 1.57 1.70 0.63 0.91 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 25 L 7.83 4.22 0.00 1.82 1.75 0.96 0.64 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 26 K 7.64 4.48 0.00 1.63 1.68 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.45 7.81 27 A 8.19 4.27 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 28 D 7.85 4.93 0.00 2.72 1.81 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 29 T 9.37 3.57 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 30 Y 8.21 5.00 0.00 3.10 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 31 R 7.41 4.64 0.00 1.49 1.77 0.00 3.24 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.50 0.00 32 K 8.05 4.71 0.00 1.72 2.01 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.43 7.81 33 W 8.54 5.04 0.00 3.40 3.22 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 0.00 0.00 0.00 0.00 34 R 8.33 4.63 0.00 1.95 1.62 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 35 A 8.99 4.51 1.11 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 0.00 0.00 36 A 8.90 4.18 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 37 K 7.21 4.50 0.00 1.96 1.76 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.34 7.81 38 A 8.30 4.46 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 39 G 7.67 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 0.00 0.00 0.00 0.00 40 E 7.84 4.09 0.00 1.77 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 2.34 2.49 0.00 41 K 8.17 4.10 0.00 1.75 1.95 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 42 T 7.34 5.06 4.27 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 1.23 0.00 0.00 43 I 8.80 5.32 1.89 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.83 0.83 0.00 0.00 44 S 9.03 5.48 0.00 3.82 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 45 V 8.78 4.38 1.06 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 -0.43 0.00 0.00 0.41 0.00 0.00 46 V 8.51 4.48 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 0.88 0.00 0.00 0.82 0.00 0.00 47 L 8.71 4.98 0.00 1.76 1.56 0.94 0.81 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 48 Q 9.04 4.74 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 49 L 8.69 4.93 0.00 1.66 1.73 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.33 4.24 0.00 1.98 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 2.34 2.44 0.00 51 K 7.74 4.42 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.36 7.81 52 E 8.94 4.48 0.00 1.98 1.88 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 2.33 2.53 0.00 53 E 9.02 4.73 0.00 2.08 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 2.21 2.58 0.00 54 Q 8.49 4.97 0.00 1.97 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 55 I 8.44 4.47 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.61 0.91 0.00 0.00 56 H 9.15 4.84 0.00 3.16 3.36 0.00 5.91 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 57 S 8.59 5.13 0.00 3.99 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 58 V 8.95 4.47 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 1.11 0.00 0.00 1.16 0.00 0.00 59 D 9.68 5.26 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 9.19 4.75 2.17 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 0.95 0.44 0.92 0.00 0.00 61 G 6.50 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 0.00 0.00 0.00 62 N 8.37 4.98 0.00 2.81 3.05 0.00 0.00 6.66 7.90 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 63 D 8.78 4.74 0.00 3.02 2.81 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 64 G 8.07 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 0.00 0.00 0.00 65 S 7.37 4.42 0.00 3.95 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 66 A 8.43 4.46 0.62 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 0.00 0.00 67 F 7.87 5.42 0.00 3.19 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.71 4.92 2.39 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 1.21 0.00 0.00 1.18 0.00 0.00 69 E 9.26 5.15 0.00 2.06 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 2.18 2.25 0.00 70 V 8.49 4.87 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 0.85 0.00 0.00 0.67 0.00 0.00 71 L 8.74 5.12 0.00 1.55 1.50 0.85 0.53 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 72 V 7.75 4.59 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 0.00 0.00 0.36 0.00 0.00 0.21 0.00 0.00 73 G 7.54 2.90 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 0.00 74 S 8.42 5.61 0.00 3.92 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 75 S 9.20 4.36 0.00 4.10 4.25 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 76 A 7.35 4.11 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 77 G 8.37 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 78 G 6.82 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 8.32 4.40 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 80 G 8.16 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.50 4.32 0.00 2.11 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 2.17 2.17 0.00 82 Q 7.85 4.55 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 83 D 8.41 5.01 0.00 2.65 2.55 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 84 Y 8.01 4.68 0.00 2.65 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 85 E 8.11 4.52 0.00 1.96 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 1.96 1.89 0.00 86 V 8.30 4.02 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 0.80 0.00 0.00 0.89 0.00 0.00 87 L 8.29 4.31 0.00 1.60 1.62 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.08 4.92 0.00 1.88 1.85 0.78 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.46 4.70 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 0.79 0.00 0.00 0.94 0.00 0.00 90 T 8.45 4.35 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 1.03 0.00 0.00 91 S 9.32 4.64 0.00 3.17 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 0.00 92 S 8.52 5.02 0.00 4.10 4.26 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 93 F 8.84 4.83 0.00 2.95 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 94 M 7.54 4.99 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 95 S 7.81 4.29 0.00 3.92 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 96 P 0.00 4.74 0.00 2.26 2.51 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 97 S 8.24 4.42 0.00 3.91 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 98 E 7.61 4.17 0.00 1.97 2.34 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 2.12 2.33 0.00 99 S 7.34 4.21 0.00 3.83 3.93 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 0.00 0.00 0.00 0.00 100 R 8.16 4.50 0.00 1.85 1.92 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 101 S 7.73 4.66 0.00 3.82 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 0.00 102 G 7.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.50 4.21 0.00 3.86 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 0.00 104 N 8.32 4.07 0.00 2.88 2.86 0.00 0.00 6.32 7.72 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 0.00 105 P 0.00 4.96 0.00 2.00 2.21 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.78 0.00 106 N 8.03 5.06 0.00 2.56 2.77 0.00 0.00 6.57 8.15 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 0.00 107 R 9.24 4.82 0.00 1.63 1.71 0.00 3.15 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 108 V 7.91 4.73 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 0.85 0.00 0.00 0.97 0.00 0.00 109 R 8.30 4.27 0.00 0.67 0.66 0.00 2.78 0.00 0.00 2.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.00 110 M 8.13 5.24 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.73 0.00 111 F 9.76 4.60 0.00 2.99 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 0.00 112 G 8.56 4.38 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 0.00 113 P 0.00 4.08 0.00 2.19 2.00 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 114 D 8.14 4.36 0.00 2.67 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 0.00 115 K 7.60 4.54 0.00 2.04 2.12 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.45 7.81 116 L 7.60 5.11 0.00 1.72 1.63 0.97 0.95 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 0.00 117 V 8.34 3.78 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 1.04 0.00 0.00 1.01 0.00 0.00 118 R 8.68 4.14 0.00 1.90 2.04 0.00 3.15 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 119 A 8.17 4.09 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 0.00 120 A 7.90 4.82 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 8.47 3.76 1.48 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 0.00 0.00 0.00 122 E 7.89 4.40 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 2.37 2.41 0.00 123 K 8.76 4.18 0.00 1.38 0.99 0.00 1.97 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.66 7.81 124 R 8.10 3.92 0.00 1.46 1.83 0.00 3.02 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 125 W 9.25 4.95 0.00 3.13 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 0.00 126 D 8.61 5.03 0.00 2.75 2.81 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 0.00 127 R 8.87 5.32 0.00 1.90 2.11 0.00 3.28 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 128 V 8.83 4.87 1.76 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 0.93 0.00 0.00 0.67 0.00 0.00 129 K 8.79 4.47 0.00 1.42 1.52 0.00 1.16 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.18 7.81 130 I 8.67 4.75 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 0.87 0.00 0.00 131 V 8.70 4.89 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 1.09 0.00 0.00 0.91 0.00 0.00 132 C 9.60 5.24 0.00 3.25 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 0.00 133 S 8.81 4.94 0.00 3.92 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 0.00 134 Q 7.91 5.76 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.07 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 135 P 0.00 5.00 0.00 2.03 1.99 0.00 3.37 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.78 0.00 136 Y 7.30 4.69 0.00 2.91 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 0.00 137 S 7.32 4.98 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.36 4.50 0.00 1.74 1.72 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.38 7.81 139 D 8.28 4.92 0.00 2.80 2.75 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 0.00 140 S 7.85 4.73 0.00 4.05 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 0.00 141 P 0.00 4.71 0.00 2.09 2.19 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 142 F 7.60 4.26 0.00 3.23 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 0.00 143 G 6.15 4.19 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 0.00 0.00 0.00 144 L 7.84 5.24 0.00 1.95 1.64 1.21 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.50 4.65 0.00 3.80 4.19 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 0.00 146 F 7.12 4.71 0.00 3.12 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 0.00 147 V 8.48 4.61 1.66 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 0.65 0.00 0.00 0.78 0.00 0.00 148 R 9.32 4.42 0.00 1.76 1.86 0.00 3.31 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.72 0.00 149 F 8.52 5.08 0.00 3.04 2.90 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 0.00 150 H 8.99 5.11 0.00 3.20 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.87 4.38 0.00 4.13 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