NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1613 8.1627 120.2882 54.6076 33.1983 173.9148 2 K 3.7514 8.5582 128.0366 56.5125 32.5572 174.9565 3 G 3.9720 8.7244 115.8789 44.7796 0.0000 171.8115 4 D 4.5076 8.4197 119.9691 53.8205 41.9616 176.5045 5 K 3.7999 9.1463 127.0897 60.1527 32.0784 178.7214 6 I 3.6415 7.8331 119.2231 63.9735 36.9903 178.3849 7 V 3.7054 8.5147 119.5912 66.2172 31.3561 178.1388 8 I 3.7507 7.9802 119.5968 64.4647 36.8994 178.4245 9 Q 3.9536 7.8828 118.6984 59.2515 28.5253 178.6473 10 H 4.1135 8.2877 117.2162 58.8442 28.7300 177.8041 11 L 4.0321 8.3538 121.1958 58.0422 41.3704 179.4510 12 N 4.3551 8.6237 116.7895 55.8604 38.4033 177.4876 13 K 3.8982 7.9927 121.2151 59.6613 32.3713 178.9857 14 I 3.7300 7.8776 120.1021 64.1946 36.9619 178.1510 15 L 4.0590 8.1423 121.4751 58.0969 41.8498 179.2446 16 G 3.6292 8.2659 105.8565 47.9133 0.0000 175.3782 17 N 4.3524 8.1465 118.8551 56.0868 38.4827 177.3104 18 E 3.9776 8.3063 119.9361 59.5243 29.1839 179.4756 19 L 3.9665 8.0735 118.9055 57.5914 41.4903 179.7671 20 I 3.6238 7.5601 119.2885 64.2709 37.1183 178.0671 21 A 3.1487 7.7156 121.4836 55.0176 18.1240 179.3465 22 I 3.5803 7.8078 118.4243 64.9579 37.2448 178.3956 23 N 4.3536 7.7357 116.3208 56.2164 38.4109 177.3432 24 Q 3.8343 8.0886 121.1578 59.5847 29.1234 178.1051 25 Y 4.7705 8.0146 119.4389 60.4450 37.8488 178.1333 26 F 3.9264 8.4985 121.8526 61.0830 39.5341 177.0031 27 L 4.0242 8.1508 120.0665 58.5850 41.9356 178.6686 28 H 4.0348 8.3770 115.9443 58.5379 28.5629 177.6065 29 A 4.1430 8.2767 123.0643 55.4782 18.2624 179.9976 30 R 3.8552 7.7780 116.1611 59.0261 30.0690 179.3224 31 M 3.4448 7.5737 118.9674 58.1408 31.7603 178.0897 32 Y 4.4243 7.3928 116.7701 61.2281 37.8902 178.3145 33 E 3.9106 8.1509 120.0240 59.5587 29.4816 178.2887 34 D 4.4018 7.9212 116.9534 56.8507 41.2585 177.3901 35 W 4.9577 7.8765 116.5493 56.2996 29.0368 176.9891 36 G 3.9506 8.3765 108.0823 46.0869 0.0000 174.5126 37 L 4.8568 7.9842 121.7030 52.7410 40.4630 176.8591 38 E 3.9221 8.1487 122.1945 59.4472 30.0122 179.0261 39 K 3.8979 8.2249 119.4883 59.3606 32.2058 178.7037 40 L 3.9958 7.7789 120.2997 57.9103 41.9940 178.8535 41 G 3.8179 8.2146 107.2945 47.1725 0.0000 175.4581 42 K 3.8582 8.3124 122.8165 59.2971 32.2013 178.3735 43 H 3.7685 8.0101 118.1224 59.1744 29.4411 176.7926 44 E 3.8641 8.4721 121.5282 59.2991 29.4358 178.0774 45 Y 3.9967 8.3707 119.9057 61.1837 38.9246 177.8802 46 H 4.0123 8.2519 117.0149 58.9254 28.7555 177.7238 47 E 3.7982 8.0431 120.3820 59.1628 29.1977 179.2666 48 S 4.2790 7.9492 113.3648 61.5693 62.4597 176.3774 49 I 3.6742 7.4120 122.4747 64.3104 36.7455 178.1739 50 D 4.2657 8.0277 119.8855 57.3095 40.5198 178.6717 51 E 4.0665 8.2649 119.1882 59.5018 29.4415 179.1983 52 M 4.0313 7.8835 118.8550 58.3656 32.0009 178.9695 53 K 4.0493 7.9670 118.6785 59.4848 32.1965 179.2556 54 H 4.2715 8.1365 116.4852 58.8238 28.6231 177.5940 55 A 4.0113 8.2188 122.7198 55.1283 18.1735 179.0428 56 D 4.2631 8.1408 116.4295 57.6463 41.3144 178.7505 57 K 3.9972 8.1239 118.8083 59.3742 31.9085 179.4337 58 L 3.9942 8.0691 119.2516 57.7653 41.5576 179.4287 59 I 3.7007 8.1129 120.1338 64.5107 37.1022 178.5958 60 K 3.9859 8.1857 119.1630 59.3890 31.8113 179.4399 61 R 3.9895 8.0539 118.9091 59.5545 30.0029 178.5005 62 I 3.7176 8.0579 119.8992 64.5460 37.1395 178.4210 63 L 4.0060 8.1551 119.7280 57.7127 41.2089 179.3434 64 F 4.3836 8.1198 119.6895 61.2521 39.6214 176.5279 65 L 4.5008 8.0039 117.2098 53.8284 41.1306 176.9365 66 E 3.8742 7.9713 117.5367 57.5584 27.2395 174.3639 67 G 3.9720 8.1720 107.3373 43.8772 0.0000 173.6974 68 L 4.5188 7.9968 118.8901 51.9216 42.0664 175.1469 69 P 4.2924 0.0000 0.0000 62.7232 31.7016 176.0765 70 N 4.6814 9.0777 122.2662 52.4395 38.4557 173.9053 71 L 4.5961 8.2578 123.9307 54.4968 42.4432 177.5500 72 Q 4.1087 8.3536 121.9107 58.3054 29.3285 176.2333 73 E 4.1852 8.2046 117.2664 55.4935 30.1170 175.4673 74 L 4.5604 8.3397 125.4733 52.8580 44.1388 176.4338 75 G 3.8303 8.4188 115.3758 44.2843 0.0000 172.0747 76 K 4.0326 8.3246 120.7064 56.0636 32.2835 176.5052 77 L 4.2330 8.3704 126.7336 54.5658 42.3504 177.3994 78 L 4.5005 8.9167 124.0319 53.2509 40.6980 174.3729 79 I 4.2292 7.9148 122.3010 59.8668 38.1020 176.5439 80 G 4.0218 8.8264 114.6071 44.9870 0.0000 172.7649 81 E 4.7946 9.1078 117.7113 56.3835 31.2569 176.5775 82 H 4.8340 7.8046 113.7012 53.2396 32.5762 173.8348 83 T 4.2773 8.7018 118.5519 67.3778 68.3788 176.1135 84 K 3.8539 8.2340 120.3915 59.7846 32.1724 178.2979 85 E 3.9456 7.9958 118.8851 59.4873 29.5999 178.5375 86 M 4.0619 8.3321 118.9801 58.2416 31.9879 178.7421 87 L 4.1526 8.2880 119.3176 57.9786 41.7384 179.4694 88 E 4.0397 8.3606 118.5190 59.3837 29.3534 179.2127 89 C 4.2050 8.4776 117.3202 63.0357 28.1698 175.8896 90 D 4.7188 8.4200 120.4708 57.3293 40.3180 178.6143 91 L 3.9594 8.1642 120.9147 58.0502 42.0962 178.9234 92 K 3.9493 8.4347 119.9197 59.2561 32.0736 178.5529 93 L 3.9705 8.1195 120.5749 58.3177 41.9031 178.6674 94 E 4.0749 8.5465 118.7200 59.7592 29.2123 179.5491 95 Q 4.0295 8.3192 116.9460 58.9320 28.8442 178.3878 96 A 4.2514 8.1582 121.1348 54.8374 18.8090 179.3441 97 G 3.7649 8.2139 103.2784 46.2602 0.0000 175.8266 98 L 3.9719 7.4962 123.0567 57.9145 42.0961 177.0225 99 P 4.2875 0.0000 0.0000 65.6660 31.2481 178.2038 100 D 4.3821 8.0986 117.1425 57.4467 40.8059 178.7247 101 L 4.0205 7.8595 119.1368 57.8582 41.6392 179.8263 102 K 4.0184 8.1876 118.2290 59.2841 31.9573 179.3519 103 A 4.0097 8.4030 121.2664 54.9831 18.2764 179.5658 104 A 3.6992 8.1468 119.3451 55.1915 18.4799 179.9438 105 I 3.6363 7.9385 118.0958 64.5018 37.3549 178.3662 106 A 4.0139 8.0938 121.5929 55.4261 18.0333 179.1249 107 Y 3.7745 8.0620 117.7985 60.9878 38.9390 177.6810 108 C 4.0010 8.2484 117.7342 62.9149 28.1035 175.8087 109 E 3.9114 8.2223 120.9165 59.3009 29.0389 179.0796 110 S 4.1286 7.5980 112.5675 60.3615 63.0044 175.2591 111 V 3.9549 6.8143 113.3578 60.4854 31.8368 176.2441 112 G 3.0023 7.3400 107.3167 46.3640 0.0000 175.5569 113 D 4.4533 7.3323 121.3272 52.9092 38.2084 176.1947 114 Y 4.2621 7.2893 121.2733 60.5675 38.5003 177.5887 115 A 4.0695 8.0788 121.4511 55.2648 18.5831 179.7170 116 S 4.1406 8.4348 113.8229 61.6268 62.7859 176.8393 117 R 3.9278 7.9461 121.4009 59.3518 29.8049 178.2933 118 E 3.9681 8.3578 118.5258 59.4599 29.5799 179.1086 119 L 3.9607 7.8578 119.9962 58.2926 42.0687 179.0765 120 L 4.0441 8.0266 118.8900 57.7132 41.5177 179.3403 121 E 3.9756 8.5375 118.9630 59.4260 29.2592 179.0518 122 D 4.3805 8.1206 118.9378 57.4614 40.8171 178.9874 123 I 3.5461 7.6543 120.1030 64.2299 37.0495 178.1803 124 L 3.9484 8.1880 121.4829 58.1212 41.5116 178.6295 125 E 3.9427 8.2728 119.2439 59.4968 29.6285 179.0863 126 S 4.2079 7.8279 115.3331 61.5799 62.8848 176.5414 127 E 4.1218 8.5642 121.7991 59.4907 29.2221 179.2407 128 E 4.1309 8.5421 118.5569 59.1631 29.4446 179.1473 129 D 4.4452 7.8276 119.1854 57.4740 40.8332 178.1512 130 H 4.4040 8.2497 118.4072 59.3302 29.8086 177.3600 131 I 3.7341 7.9605 121.7540 64.2880 36.9307 177.8188 132 D 4.3312 8.1956 118.8561 57.1923 41.1463 178.1055 133 W 4.1018 8.3528 128.7571 60.4156 30.8193 177.8671 134 L 3.8306 8.5497 119.2387 57.9786 41.1265 179.4069 135 E 3.9367 8.4811 118.7880 59.6939 29.2368 179.6587 136 T 3.8041 7.8890 115.8432 66.4619 68.4370 176.8940 137 Q 3.5675 7.5397 119.9833 58.8068 28.5175 178.7961 138 L 3.7633 7.4586 119.5960 57.7384 41.5548 179.3634 139 D 4.2866 7.9330 118.9803 57.1013 40.6675 178.7522 140 L 3.9555 7.9144 119.9176 57.7436 41.5954 179.5442 141 I 3.5472 7.4400 119.7749 64.4562 36.7407 178.2682 142 D 4.3607 7.5518 118.8543 56.9811 40.6623 178.6726 143 K 4.1511 7.8051 118.7969 58.4871 32.3357 178.4646 144 I 4.2788 8.2228 110.5020 59.5142 39.0959 176.4674 145 G 4.0159 7.8182 108.3899 46.0111 0.0000 174.3201 146 L 3.9944 8.5381 123.0662 58.0551 42.1269 179.3513 147 E 3.9689 8.1434 117.9144 59.5955 29.4813 178.9960 148 N 4.3488 8.1085 115.9442 56.2917 38.4564 176.5798 149 Y 3.9684 7.8937 119.8316 60.8212 39.2302 177.9569 150 L 4.0349 8.3436 120.1503 57.7310 41.6948 179.1328 151 Q 3.9439 8.1141 119.4630 59.4972 28.7824 178.6469 152 S 4.2350 7.9352 113.8068 60.3427 63.1023 175.4302 153 Q 4.2480 7.6481 120.0057 56.0443 28.6565 177.3820 154 M 4.2559 7.5476 119.4566 57.2711 32.3071 176.1663 155 D 4.5412 7.8901 121.2934 54.3192 41.3586 176.0084 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 8.16 4.16 0.00 1.37 1.84 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 2 K 8.56 3.75 0.00 1.80 1.67 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.53 7.81 3 G 8.72 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 4 D 8.42 4.51 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.15 3.80 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 6 I 7.83 3.64 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.07 0.00 0.00 7 V 8.51 3.71 2.33 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 1.19 0.00 0.00 1.18 0.00 0.00 8 I 7.98 3.75 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.90 0.00 0.00 9 Q 7.88 3.95 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 10 H 8.29 4.11 0.00 3.33 3.32 0.00 5.63 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 11 L 8.35 4.03 0.00 1.83 1.74 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.62 4.36 0.00 2.89 2.84 0.00 0.00 6.66 7.70 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 13 K 7.99 3.90 0.00 1.92 1.96 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 7.88 3.73 2.00 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 1.71 0.89 0.92 0.00 0.00 15 L 8.14 4.06 0.00 1.85 1.87 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.15 4.35 0.00 2.99 2.89 0.00 0.00 7.04 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 18 E 8.31 3.98 0.00 2.18 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 2.60 2.53 0.00 19 L 8.07 3.97 0.00 1.81 1.68 0.90 0.68 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 20 I 7.56 3.62 1.98 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 1.45 0.82 0.84 0.00 0.00 21 A 7.72 3.15 1.07 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 22 I 7.81 3.58 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 0.88 0.00 0.00 23 N 7.74 4.35 0.00 2.75 2.83 0.00 0.00 6.76 7.17 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 24 Q 8.09 3.83 0.00 2.01 1.84 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 2.40 2.28 0.00 25 Y 8.01 4.77 0.00 3.03 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 26 F 8.50 3.93 0.00 3.38 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 27 L 8.15 4.02 0.00 1.87 1.74 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.38 4.03 0.00 3.58 3.18 0.00 5.70 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 29 A 8.28 4.14 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 30 R 7.78 3.86 0.00 1.76 1.90 0.00 3.18 0.00 0.00 2.91 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.86 0.00 31 M 7.57 3.44 0.00 0.80 1.60 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.18 0.00 32 Y 7.39 4.42 0.00 3.23 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 33 E 8.15 3.91 0.00 2.20 1.89 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 2.23 2.33 0.00 34 D 7.92 4.40 0.00 2.56 2.40 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 35 W 7.88 4.96 0.00 3.70 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 36 G 8.38 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 37 L 7.98 4.86 0.00 2.00 1.64 1.28 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.15 3.92 0.00 2.10 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 2.40 2.50 0.00 39 K 8.22 3.90 0.00 1.94 1.94 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 40 L 7.78 4.00 0.00 1.51 1.08 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.21 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 3.86 0.00 1.81 1.89 0.00 1.61 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.15 1.33 7.81 43 H 8.01 3.77 0.00 3.13 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.47 3.86 0.00 2.45 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 0.00 2.52 2.64 0.00 45 Y 8.37 4.00 0.00 3.00 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 46 H 8.25 4.01 0.00 3.15 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.04 3.80 0.00 1.86 1.63 0.00 0.00 0.00 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 48 S 7.95 4.28 0.00 4.12 4.01 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 49 I 7.41 3.67 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.11 0.80 0.00 0.00 50 D 8.03 4.27 0.00 2.73 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 51 E 8.26 4.07 0.00 2.16 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 2.75 2.70 0.00 52 M 7.88 4.03 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 53 K 7.97 4.05 0.00 1.93 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.14 4.27 0.00 3.50 3.33 0.00 5.64 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 55 A 8.22 4.01 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 56 D 8.14 4.26 0.00 2.93 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 57 K 8.12 4.00 0.00 2.03 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.70 7.81 58 L 8.07 3.99 0.00 1.88 1.73 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.11 3.70 2.03 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 0.79 0.92 0.00 0.00 60 K 8.19 3.99 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.62 7.81 61 R 8.05 3.99 0.00 2.09 2.13 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 8.06 3.72 2.03 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 1.54 0.71 0.97 0.00 0.00 63 L 8.16 4.01 0.00 1.90 1.76 0.94 0.85 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 64 F 8.12 4.38 0.00 2.95 3.30 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 65 L 8.00 4.50 0.00 2.00 1.60 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 3.87 0.00 2.05 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 2.18 2.29 0.00 67 G 8.17 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 68 L 8.00 4.52 0.00 1.61 1.62 0.91 0.99 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 69 P 0.00 4.29 0.00 2.03 2.00 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 70 N 9.08 4.68 0.00 2.64 2.73 0.00 0.00 7.10 8.61 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 71 L 8.26 4.60 0.00 1.62 1.63 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.35 4.11 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 E 8.20 4.19 0.00 1.98 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 2.29 2.22 0.00 74 L 8.34 4.56 0.00 1.53 1.49 0.89 1.05 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 75 G 8.42 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 76 K 8.32 4.03 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.37 4.23 0.00 1.66 1.54 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.92 4.50 0.00 1.73 1.67 0.96 0.87 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 79 I 7.91 4.23 1.90 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 1.35 0.77 0.96 0.00 0.00 80 G 8.83 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 0.00 0.00 0.00 0.00 81 E 9.11 4.79 0.00 2.11 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 0.00 2.32 2.27 0.00 82 H 7.80 4.83 0.00 3.25 3.24 0.00 5.70 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 83 T 8.70 4.28 4.41 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 1.48 0.00 0.00 84 K 8.23 3.85 0.00 1.85 1.91 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.46 7.81 85 E 8.00 3.95 0.00 1.74 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 2.36 2.38 0.00 86 M 8.33 4.06 0.00 1.81 2.30 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.18 0.00 87 L 8.29 4.15 0.00 1.86 1.70 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.36 4.04 0.00 2.18 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 2.32 2.52 0.00 89 C 8.48 4.20 0.00 3.29 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 90 D 8.42 4.72 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.16 3.96 0.00 1.86 1.86 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.43 3.95 0.00 1.97 2.01 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 93 L 8.12 3.97 0.00 2.09 1.90 0.85 0.79 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 94 E 8.55 4.07 0.00 2.21 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 2.71 2.54 0.00 95 Q 8.32 4.03 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 96 A 8.16 4.25 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 97 G 8.21 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 98 L 7.50 3.97 0.00 2.01 1.70 0.96 0.90 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 99 P 0.00 4.29 0.00 2.21 2.11 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 100 D 8.10 4.38 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.86 4.02 0.00 1.91 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.19 4.02 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 103 A 8.40 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 0.00 104 A 8.15 3.70 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 0.00 105 I 7.94 3.64 2.02 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 1.48 1.04 0.94 0.00 0.00 106 A 8.09 4.01 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 0.00 107 Y 8.06 3.77 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.25 4.00 0.00 3.17 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 0.00 109 E 8.22 3.91 0.00 2.12 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 0.00 2.35 2.41 0.00 110 S 7.60 4.13 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.81 3.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.80 0.00 0.00 112 G 7.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.33 4.45 0.00 2.65 2.49 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 0.00 114 Y 7.29 4.26 0.00 3.09 2.96 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 0.00 115 A 8.08 4.07 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 0.00 116 S 8.43 4.14 0.00 4.18 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 0.00 117 R 7.95 3.93 0.00 1.95 2.20 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 118 E 8.36 3.97 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 119 L 7.86 3.96 0.00 1.76 1.87 0.99 0.68 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 0.00 120 L 8.03 4.04 0.00 1.91 1.71 0.96 0.99 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 0.00 121 E 8.54 3.98 0.00 2.16 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 2.35 2.61 0.00 122 D 8.12 4.38 0.00 2.89 2.72 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 0.00 0.00 0.00 123 I 7.65 3.55 1.95 0.00 0.00 0.82 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 0.79 0.80 0.00 0.00 124 L 8.19 3.95 0.00 1.83 1.85 0.95 1.16 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 0.00 125 E 8.27 3.94 0.00 2.21 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 2.33 2.38 0.00 126 S 7.83 4.21 0.00 4.12 3.99 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 0.00 0.00 0.00 127 E 8.56 4.12 0.00 2.12 2.19 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 2.57 2.54 0.00 128 E 8.54 4.13 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 129 D 7.83 4.45 0.00 2.96 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 0.00 130 H 8.25 4.40 0.00 3.24 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.96 3.73 2.08 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 1.45 0.73 0.94 0.00 0.00 132 D 8.20 4.33 0.00 3.01 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 0.00 133 W 8.35 4.10 0.00 3.52 3.45 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 0.00 134 L 8.55 3.83 0.00 1.88 1.70 0.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.48 3.94 0.00 2.08 1.96 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 2.31 2.59 0.00 136 T 7.89 3.80 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 137 Q 7.54 3.57 0.00 1.66 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.46 3.76 0.00 1.73 1.59 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.93 4.29 0.00 2.75 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 0.00 140 L 7.91 3.96 0.00 1.83 1.63 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.44 3.55 1.76 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 0.84 -0.06 0.79 0.00 0.00 142 D 7.55 4.36 0.00 2.67 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 0.00 143 K 7.81 4.15 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.71 7.81 144 I 8.22 4.28 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.70 0.93 0.00 0.00 145 G 7.82 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 0.00 0.00 0.00 0.00 146 L 8.54 3.99 0.00 1.76 1.68 0.96 0.94 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 0.00 147 E 8.14 3.97 0.00 2.09 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 2.46 0.00 148 N 8.11 4.35 0.00 3.06 2.88 0.00 0.00 6.71 7.48 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 0.00 149 Y 7.89 3.97 0.00 3.01 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 0.00 150 L 8.34 4.03 0.00 1.72 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.11 3.94 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 152 S 7.94 4.23 0.00 3.79 3.77 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 0.00 153 Q 7.65 4.25 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 1.75 2.09 0.00 154 M 7.55 4.26 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.48 0.00 155 D 7.89 4.54 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00