NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3522 8.3149 120.0796 55.8134 33.6703 175.2295 4 Q 4.0115 8.9444 123.1365 56.1136 29.3396 171.1134 5 V 4.6570 9.3872 124.9291 61.0985 35.4163 173.4762 6 E 4.9834 9.0604 126.9138 54.6468 32.1752 174.9164 7 I 4.9510 8.4162 124.4903 59.4148 40.7997 174.4492 8 F 5.4619 9.1590 125.1785 55.9686 42.1175 174.4692 9 T 5.3354 8.5422 111.6259 60.8403 72.1553 172.3565 10 D 4.7842 9.0121 120.5760 53.6053 45.1697 174.1809 11 G 4.6994 8.6030 109.0659 44.9572 0.0000 171.5414 12 S 4.9251 8.8815 113.8064 57.7291 66.4487 172.6069 13 C 5.0064 8.4195 123.1596 57.7931 34.2416 174.1436 14 L 4.3807 8.8870 128.9174 52.8189 39.3756 176.7133 15 G 3.7826 6.9483 106.0751 47.2921 0.0000 171.7146 16 N 4.7519 7.7390 108.8494 52.8144 39.9081 173.1401 17 P 4.5410 0.0000 0.0000 61.8436 34.4823 175.1111 18 G 3.9535 8.1701 105.5698 45.4796 0.0000 170.9202 19 P 4.9995 0.0000 0.0000 62.3380 32.4826 176.3298 20 G 4.5388 9.2422 109.9500 45.6605 0.0000 171.2083 21 G 4.6783 9.1839 106.8067 45.5691 0.0000 171.5917 22 Y 5.5560 8.5026 117.4326 55.0754 42.1228 174.6467 23 G 4.7094 9.3614 106.5402 44.6323 0.0000 171.5081 24 A 5.5661 9.8571 124.9794 50.1707 23.2403 174.8015 25 I 5.0624 9.2396 122.1052 59.4029 40.7225 174.3881 26 L 5.1248 9.7236 129.4476 53.4937 44.4504 174.6871 27 R 5.1984 9.1312 128.0066 54.8993 32.6203 174.3707 28 Y 4.9939 9.2997 129.6698 57.4427 42.6492 175.5445 29 R 3.5783 9.1831 125.6393 57.2716 26.6188 173.9134 30 G 3.9654 8.2411 105.3340 46.4567 0.0000 174.1418 31 R 4.6036 7.7862 119.5662 54.3907 31.9389 174.8100 32 E 5.2689 8.5813 120.9214 54.4655 32.2248 175.1609 33 K 4.5713 9.3104 124.5081 54.8745 35.3499 174.6915 34 T 5.2054 8.2719 122.7208 61.8666 71.2618 173.5793 35 F 5.0580 9.2197 123.5844 56.0655 43.1638 173.9859 36 S 5.0502 9.0127 113.2435 58.5169 65.1951 173.9953 37 A 4.4220 7.0343 126.2321 50.7658 22.5759 175.0009 38 G 4.5003 8.4204 106.5318 44.5994 0.0000 171.6922 39 Y 5.2030 9.3798 120.7028 56.0348 40.8426 177.1114 40 T 3.9555 8.6240 112.7913 64.3510 70.4702 174.0718 41 R 4.5697 7.8665 121.8023 55.7648 32.3828 173.5136 42 T 4.2322 8.5704 122.3436 61.4935 71.4003 171.6112 43 T 4.7688 7.9737 109.9313 59.2833 72.4674 174.7739 44 N 4.2287 8.7550 119.2641 57.0509 39.0276 176.4272 45 N 4.2589 7.9593 117.2890 56.4518 38.5163 177.4911 46 R 3.8954 7.7810 118.9155 59.3773 30.0617 179.0197 47 M 4.1877 7.9638 118.3381 58.1188 31.4389 178.5951 48 E 4.0263 8.3096 118.9747 59.3454 29.6128 179.4339 49 L 3.7140 7.8359 118.9437 57.9159 41.7115 179.0420 50 M 3.7639 8.3182 118.3444 58.4757 32.0146 177.8940 51 A 3.4123 7.9190 120.8171 55.2946 18.5335 179.7833 52 I 3.6632 7.2181 117.7531 64.2784 37.1040 178.5737 53 I 3.6064 7.6899 120.7802 64.5645 37.0525 178.6988 54 V 3.3690 7.5430 118.5965 65.5132 31.0256 177.9870 55 A 3.2995 7.1585 119.3023 55.0349 18.5929 179.3441 56 L 3.9196 7.7720 117.4895 57.9167 41.4448 179.6630 57 E 3.9817 8.1918 117.5233 58.9638 29.3868 178.9051 58 A 4.1375 7.3197 119.5491 53.3566 18.6507 177.6876 59 L 4.0686 7.4324 120.6763 55.2006 42.1378 177.7354 60 K 4.5289 8.5438 123.4311 54.2254 33.1778 172.7485 61 E 4.7680 7.5247 113.9917 55.3115 32.6370 174.6036 62 H 4.6100 8.5147 117.2691 56.5784 29.3629 174.6313 63 C 5.0142 8.8796 118.8491 57.9491 33.3516 172.6320 64 E 4.8023 8.7134 119.9930 55.5214 30.5557 175.4653 65 V 4.6393 8.7557 125.3840 60.9451 34.8695 174.2762 66 I 4.5401 8.2550 128.1990 59.7011 39.1707 174.4366 67 L 4.6572 8.1685 128.3167 52.7486 43.7736 175.5955 68 S 5.0447 8.8624 119.6231 56.7080 64.8122 172.6333 69 T 4.9884 8.8712 121.1847 60.6580 71.1327 173.3639 70 D 5.4659 8.6957 124.7110 52.6341 40.0372 176.4842 71 S 4.4079 8.1507 115.5880 58.2545 63.0456 174.4117 72 Q 3.8199 8.7381 130.5398 59.1978 28.9793 177.0622 73 Y 4.2994 8.1323 120.1563 61.0494 38.7965 178.2965 74 V 3.7508 7.9998 118.9569 65.8606 31.5469 177.9073 75 R 2.5100 7.5267 118.2995 58.8235 29.6894 178.2670 76 Q 3.1702 7.5040 118.1020 58.5557 28.4920 179.1629 77 G 2.8278 6.7428 106.1889 47.7089 0.0000 175.7205 78 I 3.5590 7.2277 121.4680 63.7106 37.2277 178.0298 79 T 4.1359 7.4074 108.6552 62.7667 69.1847 174.9339 80 Q 4.1882 7.4235 117.7784 56.9736 31.1070 177.3495 81 W 3.8138 6.5031 118.5772 59.2418 29.3365 178.5305 82 I 3.2878 7.1000 118.8428 64.0501 37.2193 177.4311 83 H 3.9714 7.7249 116.5334 59.1966 28.5954 177.2664 84 N 4.4223 7.7732 117.2277 55.4862 38.4420 177.2834 85 W 4.2744 8.0041 121.0999 59.9088 29.2117 178.6454 86 K 3.2684 7.5395 118.0026 59.1387 31.2098 179.6328 87 K 4.0118 7.3693 116.4220 58.8985 30.7026 178.5460 88 R 4.4496 7.7782 116.7457 54.8939 30.1049 176.6642 89 G 3.9059 8.1820 106.0355 46.6894 0.0000 173.8487 90 W 3.4720 8.4715 114.5055 56.9936 27.0654 174.6641 91 K 4.9906 7.3993 113.3112 54.9802 36.1207 177.1126 92 T 4.3082 8.4448 112.7782 60.2488 70.3098 175.4466 93 A 4.2223 8.4475 123.7490 55.1227 18.2706 178.0683 94 D 4.5135 7.9925 112.7319 53.3446 39.7907 176.8227 95 K 3.9255 8.3747 118.2621 57.3170 30.1668 176.0263 96 K 4.3598 8.0410 118.6677 54.6796 33.0697 174.5717 97 P 4.6809 0.0000 0.0000 62.8771 31.8630 176.7945 98 V 3.4820 8.3684 117.4703 61.3956 32.6535 175.7060 99 K 3.9981 8.5023 125.4135 57.3679 32.9522 175.9471 100 N 4.5449 9.3177 122.1718 53.3303 36.4901 176.8868 101 V 3.5677 7.6602 120.5986 64.8903 31.3232 176.7165 102 D 4.2586 8.0930 119.3049 56.6079 38.8366 178.8799 103 L 4.0314 7.7569 120.4400 56.7298 41.7237 179.3304 104 W 4.4483 8.4461 119.3071 60.0131 29.0145 178.6417 105 Q 3.7976 8.2973 118.4682 58.7931 27.9302 178.6844 106 R 3.9035 7.9219 119.7809 59.1035 29.9722 178.4098 107 L 4.0121 8.3340 120.7288 58.1844 42.1494 178.4334 108 D 4.4884 8.5567 117.8744 57.1253 40.9308 177.8557 109 A 3.9859 7.8734 120.3782 55.4216 18.5932 179.2436 110 A 4.1090 7.8048 119.0782 55.2324 18.0988 179.8349 111 L 4.1292 8.5001 118.1045 57.9202 41.5135 179.8997 112 G 3.7094 8.0480 104.4850 47.1261 0.0000 174.7119 113 Q 4.2824 7.5158 118.0215 55.8240 29.2081 174.6109 114 H 4.9936 7.1584 115.9266 54.2939 33.8260 173.2904 115 Q 4.3822 8.8784 119.3454 55.0208 29.4894 174.7899 116 I 4.5778 8.1439 125.2293 59.1578 39.3189 175.1335 117 K 4.3842 8.6149 129.2935 54.4987 33.8466 174.9857 118 W 4.3257 8.6542 127.8229 55.9351 30.2686 175.9433 119 E 4.2282 9.0401 125.7275 54.3840 30.2877 175.3754 120 W 4.8559 8.2441 125.3161 55.9225 29.1693 176.4935 121 V 3.7322 8.8125 125.9045 62.8525 31.9861 176.0178 122 K 4.1222 8.9727 127.0948 57.5659 33.0328 176.5304 123 G 4.3214 7.5581 104.8749 43.3696 0.0000 172.4841 124 H 4.3738 8.7342 115.6214 58.3310 28.8974 175.9833 125 A 4.0261 8.1033 121.8599 53.9859 18.1276 177.2037 126 G 3.8752 9.0534 110.3579 46.5130 0.0000 173.6934 127 H 4.9226 8.2162 116.1700 52.4660 29.2330 172.3494 128 P 4.4967 0.0000 0.0000 64.8766 31.6317 178.0870 129 E 3.7011 7.7419 116.9121 59.4053 29.2433 179.0185 130 N 4.4615 8.0052 115.9808 56.1859 38.3309 177.0303 131 E 3.3728 8.1510 120.0463 59.4435 29.5445 179.5068 132 R 3.9496 8.0638 118.5313 59.5918 30.0834 178.2243 133 C 4.1809 8.3214 116.6791 62.7993 28.0895 175.7039 134 D 4.3756 8.2051 119.6963 57.2561 40.8225 177.9136 135 E 3.9352 8.0569 118.9441 59.5134 29.5201 179.1541 136 L 3.9442 8.0765 118.5728 57.8953 41.7531 179.4147 137 A 3.9842 8.4010 120.6684 55.5264 18.1546 179.9389 138 R 3.8837 8.3303 115.0886 59.3266 30.3086 178.9137 139 A 4.1054 8.3045 120.5557 55.0778 18.4198 179.5670 140 A 3.9455 8.1206 119.1297 54.9539 18.2479 179.6460 141 A 4.1409 8.0716 118.4515 54.8374 18.4990 178.7986 142 M 4.3103 7.5248 115.1442 55.6924 33.4816 175.6279 143 N 5.0311 7.7448 117.2322 51.6448 39.2481 172.6653 144 P 4.5031 0.0000 0.0000 63.1597 32.4853 176.6319 145 T 4.4396 8.1062 108.3558 60.9869 70.7809 173.8299 146 L 4.3990 7.5376 122.0983 53.0069 43.4746 174.5294 147 E 4.9003 8.3253 120.7569 54.7640 31.3520 176.2419 148 D 4.8852 8.6262 126.9416 53.1502 39.7210 176.4213 149 T 4.0930 8.1660 112.3016 63.0767 69.3690 176.4535 150 G 3.8400 7.6722 108.8308 45.9394 0.0000 173.5398 151 Y 4.1482 8.1963 123.0988 57.5304 39.1304 174.3074 152 Q 4.2646 7.7381 125.9480 53.2590 30.9323 175.0533 153 V 3.3999 7.8387 121.9247 62.0920 31.4660 175.1968 154 E 3.9653 8.7593 130.9429 56.9840 30.2447 177.5986 155 V 4.0264 8.1781 120.6907 60.8923 32.2013 175.0713 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 3 K 8.31 4.35 0.00 1.70 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 4 Q 8.94 4.01 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 5 V 9.39 4.66 1.97 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 0.98 0.00 0.00 0.87 0.00 0.00 6 E 9.06 4.98 0.00 1.97 1.46 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 2.15 2.25 0.00 7 I 8.42 4.95 1.60 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.79 0.00 0.00 8 F 9.16 5.46 0.00 2.97 2.95 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 9 T 8.54 5.34 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 1.28 0.00 0.00 10 D 9.01 4.78 0.00 2.93 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.60 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.88 4.93 0.00 3.92 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 13 C 8.42 5.01 0.00 2.96 2.86 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 0.00 0.00 0.00 0.00 14 L 8.89 4.38 0.00 1.53 1.63 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 G 6.95 3.78 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 0.00 0.00 0.00 16 N 7.74 4.75 0.00 2.64 2.67 0.00 0.00 6.81 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.54 0.00 1.74 1.35 0.00 3.92 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 18 G 8.17 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 19 P 0.00 5.00 0.00 2.16 1.98 0.00 3.85 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 1.93 0.00 20 G 9.24 4.54 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 21 G 9.18 4.68 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 22 Y 8.50 5.56 0.00 3.20 3.09 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 0.00 23 G 9.36 4.71 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 0.00 0.00 0.00 24 A 9.86 5.57 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 25 I 9.24 5.06 2.14 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 1.19 0.82 1.07 0.00 0.00 26 L 9.72 5.12 0.00 1.92 1.79 1.03 0.97 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 27 R 9.13 5.20 0.00 2.07 1.90 0.00 3.19 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 28 Y 9.30 4.99 0.00 3.00 2.80 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 29 R 9.18 3.58 0.00 2.02 1.85 0.00 3.44 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 30 G 8.24 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 31 R 7.79 4.60 0.00 2.02 1.85 0.00 3.05 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 32 E 8.58 5.27 0.00 1.84 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 2.27 2.29 0.00 33 K 9.31 4.57 0.00 1.77 1.60 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.90 1.25 7.81 34 T 8.27 5.21 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 1.29 0.00 0.00 35 F 9.22 5.06 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.01 5.05 0.00 3.84 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 37 A 7.03 4.42 1.05 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 38 G 8.42 4.50 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 39 Y 9.38 5.20 0.00 2.90 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 40 T 8.62 3.96 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 1.20 0.00 0.00 41 R 7.87 4.57 0.00 1.80 1.86 0.00 3.30 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 42 T 8.57 4.23 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 1.16 0.00 0.00 43 T 7.97 4.77 4.15 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 1.01 0.00 0.00 44 N 8.76 4.23 0.00 2.81 2.80 0.00 0.00 6.87 6.71 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 45 N 7.96 4.26 0.00 2.42 1.87 0.00 0.00 7.07 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 46 R 7.78 3.90 0.00 1.79 1.86 0.00 3.43 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 47 M 7.96 4.19 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.80 0.00 48 E 8.31 4.03 0.00 2.27 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 2.41 2.50 0.00 49 L 7.84 3.71 0.00 1.68 1.45 0.27 -0.43 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 50 M 8.32 3.76 0.00 1.93 1.95 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 2.24 2.55 0.00 51 A 7.92 3.41 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 52 I 7.22 3.66 1.91 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 0.99 0.00 0.00 53 I 7.69 3.61 1.86 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 1.36 0.75 0.83 0.00 0.00 54 V 7.54 3.37 1.64 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 0.84 0.00 0.00 0.70 0.00 0.00 55 A 7.16 3.30 1.15 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 0.00 0.00 56 L 7.77 3.92 0.00 1.62 1.67 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.19 3.98 0.00 2.02 1.97 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 2.31 2.40 0.00 58 A 7.32 4.14 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 59 L 7.43 4.07 0.00 1.68 1.51 0.57 0.52 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 60 K 8.54 4.53 0.00 1.75 1.67 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 0.96 7.81 61 E 7.52 4.77 0.00 1.94 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 2.06 2.25 0.00 62 H 8.51 4.61 0.00 3.04 3.24 0.00 5.66 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 63 C 8.88 5.01 0.00 2.69 2.70 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 0.00 0.00 0.00 64 E 8.71 4.80 0.00 1.89 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 2.32 2.28 0.00 65 V 8.76 4.64 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 0.77 0.00 0.00 0.71 0.00 0.00 66 I 8.25 4.54 1.67 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 1.10 0.37 0.73 0.00 0.00 67 L 8.17 4.66 0.00 0.68 0.80 -0.10 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.86 5.04 0.00 3.66 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.87 4.99 4.44 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 0.00 0.00 0.00 1.65 0.00 0.00 70 D 8.70 5.47 0.00 2.94 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 71 S 8.15 4.41 0.00 4.09 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 72 Q 8.74 3.82 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 73 Y 8.13 4.30 0.00 3.15 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 74 V 8.00 3.75 2.23 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 1.12 0.00 0.00 1.02 0.00 0.00 75 R 7.53 2.51 0.00 0.67 1.30 0.00 2.41 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 76 Q 7.50 3.17 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 1.94 2.26 0.00 77 G 6.74 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 0.00 0.00 0.00 78 I 7.23 3.56 1.49 0.00 0.00 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 1.73 0.17 0.57 0.00 0.00 79 T 7.41 4.14 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 80 Q 7.42 4.19 0.00 1.13 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 81 W 6.50 3.81 0.00 1.78 1.74 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 82 I 7.10 3.29 1.56 0.00 0.00 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 1.44 1.46 0.71 0.00 0.00 83 H 7.72 3.97 0.00 3.10 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.77 4.42 0.00 2.54 2.76 0.00 0.00 7.03 7.68 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 85 W 8.00 4.27 0.00 2.80 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 0.00 0.00 0.00 86 K 7.54 3.27 0.00 1.78 1.75 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.39 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.24 7.81 87 K 7.37 4.01 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.61 7.81 88 R 7.78 4.45 0.00 1.81 1.91 0.00 3.41 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 1.82 1.77 0.00 89 G 8.18 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.47 3.47 0.00 3.54 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 91 K 7.40 4.99 0.00 1.81 1.63 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.56 7.81 92 T 8.44 4.31 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 93 A 8.45 4.22 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 94 D 7.99 4.51 0.00 2.78 2.77 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 0.00 0.00 0.00 95 K 8.37 3.93 0.00 1.88 1.98 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.53 7.81 96 K 8.04 4.36 0.00 1.86 1.68 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.58 7.81 97 P 0.00 4.68 0.00 1.89 1.97 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 98 V 8.37 3.48 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 0.18 0.00 0.00 0.83 0.00 0.00 99 K 8.50 4.00 0.00 1.78 1.82 0.00 1.99 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.53 7.81 100 N 9.32 4.54 0.00 3.27 2.92 0.00 0.00 7.35 7.68 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 0.00 101 V 7.66 3.57 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 0.92 0.00 0.00 0.55 0.00 0.00 102 D 8.09 4.26 0.00 2.83 2.93 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 0.00 103 L 7.76 4.03 0.00 1.54 1.57 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.45 4.45 0.00 3.38 3.48 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 0.00 105 Q 8.30 3.80 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.92 3.90 0.00 1.91 2.07 0.00 3.07 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 107 L 8.33 4.01 0.00 1.85 2.04 1.06 1.44 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 0.00 108 D 8.56 4.49 0.00 3.25 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 0.00 109 A 7.87 3.99 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 0.00 110 A 7.80 4.11 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 0.00 111 L 8.50 4.13 0.00 1.99 1.89 1.33 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.05 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 0.00 0.00 0.00 113 Q 7.52 4.28 0.00 1.73 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 114 H 7.16 4.99 0.00 2.90 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.88 4.38 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 116 I 8.14 4.58 1.69 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 1.00 0.62 -0.17 0.00 0.00 117 K 8.61 4.38 0.00 1.71 1.51 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.35 7.81 118 W 8.65 4.33 0.00 2.58 1.74 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 0.00 119 E 9.04 4.23 0.00 1.71 1.84 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 2.04 2.27 0.00 120 W 8.24 4.86 0.00 3.18 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 0.00 121 V 8.81 3.73 2.14 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 0.64 0.00 0.00 0.99 0.00 0.00 122 K 8.97 4.12 0.00 1.79 1.84 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.51 7.81 123 G 7.56 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 0.00 0.00 0.00 0.00 124 H 8.73 4.37 0.00 3.23 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.10 4.03 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 0.00 126 G 9.05 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 0.00 127 H 8.22 4.92 0.00 3.33 3.46 0.00 5.63 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 0.00 128 P 0.00 4.50 0.00 2.04 2.03 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 129 E 7.74 3.70 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 1.47 1.98 0.00 130 N 8.01 4.46 0.00 3.06 3.02 0.00 0.00 7.10 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 0.00 131 E 8.15 3.37 0.00 2.09 1.86 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 0.00 2.18 2.54 0.00 132 R 8.06 3.95 0.00 1.83 2.02 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 8.32 4.18 0.00 3.28 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 0.00 134 D 8.21 4.38 0.00 3.12 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 0.00 135 E 8.06 3.94 0.00 2.22 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 2.59 0.00 136 L 8.08 3.94 0.00 1.94 1.76 0.98 0.76 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 0.00 137 A 8.40 3.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.33 3.88 0.00 1.82 2.02 0.00 3.19 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 139 A 8.30 4.11 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 0.00 140 A 8.12 3.95 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 0.00 141 A 8.07 4.14 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 0.00 142 M 7.52 4.31 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 143 N 7.74 5.03 0.00 2.62 2.64 0.00 0.00 7.17 7.65 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 0.00 144 P 0.00 4.50 0.00 2.19 2.13 0.00 3.82 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 1.97 1.94 0.00 145 T 8.11 4.44 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 1.20 0.00 0.00 146 L 7.54 4.40 0.00 0.57 1.21 0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.33 4.90 0.00 1.93 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 2.29 2.33 0.00 148 D 8.63 4.89 0.00 2.82 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 0.00 149 T 8.17 4.09 4.28 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 1.32 0.00 0.00 150 G 7.67 3.84 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 0.00 0.00 0.00 151 Y 8.20 4.15 0.00 3.15 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 0.00 152 Q 7.74 4.26 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 153 V 7.84 3.40 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 1.02 0.00 0.00 0.85 0.00 0.00 154 E 8.76 3.97 0.00 1.98 1.85 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 2.28 2.30 0.00 155 V 8.18 4.03 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 0.80 0.00 0.00 0.93 0.00 0.00