NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2979 8.3027 121.7397 56.2069 31.3131 174.1372 2 Q 4.6666 8.7175 129.8075 54.5422 29.5960 173.7263 3 L 4.7990 8.5330 127.6120 54.2979 43.9383 175.7310 4 T 4.5686 9.0099 110.7795 60.0212 71.4755 175.5692 5 K 3.5102 8.9552 122.7185 60.3615 32.0078 179.3008 6 C 4.3453 8.1202 115.7488 59.8990 39.3785 175.8491 7 E 3.9058 7.9009 120.4038 59.3129 29.0476 179.4939 8 V 3.4238 7.8329 118.4888 65.8912 31.3341 177.5717 9 F 3.8919 8.0592 119.0536 61.6724 39.4365 177.0903 10 R 4.1864 8.3393 117.4518 59.1933 29.6947 178.7090 11 E 4.2046 8.4335 117.5462 58.2186 29.6680 178.0458 12 L 4.3820 7.5512 118.5586 54.0973 41.8690 177.9445 13 K 3.7530 7.4149 122.1813 59.8669 32.0469 178.4954 14 D 4.4553 7.9303 115.8268 56.5298 40.9347 176.9973 15 L 4.1949 8.0093 118.7201 54.5391 42.1270 176.0664 16 K 3.8280 7.6053 120.4975 57.9588 32.1390 177.0910 17 G 3.9897 9.1613 114.4352 45.8521 0.0000 172.4258 18 Y 3.9024 8.0671 122.6604 58.7646 38.9914 176.3810 19 G 3.7660 8.8776 114.4117 46.2282 0.0000 173.6736 20 G 3.7920 8.3292 105.9182 45.7069 0.0000 173.7838 21 V 4.2902 7.3644 119.5437 60.5626 33.2781 175.4169 22 S 4.9106 8.9026 121.9455 57.1331 64.6485 175.0495 23 L 3.9783 8.6068 122.1359 57.8176 41.2712 177.9760 24 P 4.5426 0.0000 0.0000 65.9440 31.3132 178.3919 25 E 3.8928 8.1078 116.7209 59.2046 29.2291 179.5332 26 W 4.3347 7.8914 118.5790 59.5644 29.2980 178.6371 27 V 3.7010 8.2636 118.6819 66.1423 31.1222 177.3214 28 C 2.5011 7.9250 118.1385 59.2721 37.8067 175.7329 29 T 3.8225 7.8246 117.5331 66.9080 68.0527 176.9608 30 T 3.9675 8.4546 112.0343 64.4635 68.6436 176.3917 31 F 3.5038 8.1111 123.2062 61.3320 39.2941 176.2467 32 H 4.2509 7.8667 111.5607 56.8863 28.6750 176.5668 33 T 4.4929 7.3345 117.7928 64.6553 69.6138 175.5667 34 S 4.4537 7.9886 111.4518 56.8733 64.6078 174.4775 35 G 3.3666 8.4310 108.0571 46.9002 0.0000 174.3409 36 Y 3.7800 7.9431 114.0314 58.0457 35.5034 168.3932 37 D 5.0625 7.9412 121.5079 53.2219 40.8323 177.0878 38 T 4.1403 8.8644 118.1416 63.4687 69.0053 175.6891 39 Q 4.6366 8.5429 120.8326 55.5349 29.4187 175.3552 40 A 4.2040 7.7892 121.0681 52.4368 19.6974 178.0616 41 I 4.6690 8.1271 121.7974 60.2691 40.6215 174.3949 42 V 4.2893 8.3140 127.6989 60.8612 33.9811 174.1204 43 Q 4.8191 8.5980 128.7487 54.5966 30.4414 174.7389 44 N 4.7400 9.0164 125.4730 52.5763 40.1013 176.4621 45 N 4.0674 7.8318 114.9807 56.2305 38.8624 176.6974 46 D 4.9016 7.6718 116.9152 52.6773 40.4005 174.9919 47 S 4.8901 7.9918 111.4368 57.9473 66.4787 172.4634 48 T 5.1199 9.5418 117.9404 61.9611 72.2541 172.6400 49 E 5.4201 9.1174 125.4481 54.9361 32.4333 174.5437 50 Y 4.8077 9.2526 121.6808 57.3673 41.5824 177.7397 51 G 4.4205 8.8299 111.7776 44.4298 0.0000 173.2339 52 L 3.9152 8.6458 118.8520 57.3020 41.6761 178.7863 53 F 4.7308 8.0862 112.8900 56.9632 39.9436 175.2698 54 Q 3.5726 7.9512 119.3591 57.0199 26.4987 174.0922 55 I 4.3776 8.0270 119.0818 60.6751 38.5915 177.6832 56 N 5.5018 9.3463 125.2486 52.6575 38.9682 175.0413 57 N 5.6029 8.6929 116.7389 52.8763 38.0268 176.3108 58 K 4.3429 8.7295 121.6047 59.4811 32.8050 178.7040 59 I 4.4797 7.7575 109.1843 60.1358 39.5207 177.3331 60 W 4.4899 8.2933 123.1460 58.8058 29.8111 174.6111 61 C 5.7530 8.1562 110.9925 53.4855 43.8228 172.7760 62 K 5.0316 8.5853 118.7834 55.3319 34.8888 175.0553 63 D 5.0108 8.2054 121.4483 52.1570 42.1049 174.5132 64 D 4.4701 8.9018 116.7464 57.2403 41.2213 177.3852 65 Q 4.0531 8.2250 119.7462 59.2289 29.1234 176.2357 66 N 4.4962 7.7461 109.9203 51.5728 38.3231 173.0895 67 P 4.4512 0.0000 0.0000 64.9941 31.5672 176.6842 68 H 4.9497 7.7261 114.9501 55.4038 28.9286 175.2383 69 S 4.3888 7.8360 113.7510 57.8376 63.6282 174.2115 70 S 4.0065 7.9276 116.9027 60.1498 63.1628 174.4615 71 N 4.2694 7.7566 116.6672 54.1823 37.6516 175.5723 72 I 3.7455 8.2195 119.6643 64.8819 37.5940 177.2966 73 C 4.5200 8.7526 114.9766 56.8761 40.6541 172.9955 74 N 4.1168 8.3046 118.0904 53.4052 37.3146 172.8022 75 I 4.2676 8.2026 118.1516 59.8145 42.2056 173.0231 76 S 4.5923 8.1947 120.3679 57.8251 63.0723 175.7505 77 C 3.4743 8.3733 125.7588 59.7834 35.3073 176.1050 78 D 4.1722 7.6903 120.0911 56.0709 38.7078 178.2221 79 K 4.1601 7.5956 118.5572 58.0901 32.0483 177.3237 80 F 5.5385 7.6038 117.5002 56.7555 38.8670 176.7393 81 L 5.1463 8.1156 119.2334 53.6566 43.1460 176.5682 82 D 4.7640 7.8741 117.8999 52.8425 41.5247 175.4375 83 D 4.5935 8.5705 117.7197 54.6992 41.3839 175.7075 84 D 4.6747 7.6669 118.9928 53.0274 41.2604 176.3863 85 L 4.5613 8.3747 126.1422 55.3985 41.9092 178.6040 86 T 3.8394 8.1632 118.1568 66.9526 68.5519 176.0531 87 D 4.4549 8.0857 120.2104 56.2704 39.1052 178.0209 88 D 4.0328 8.1703 119.9779 57.3255 40.9184 178.6217 89 I 3.1941 7.9255 120.5192 64.4893 37.0897 178.4883 90 M 3.9118 7.7582 118.9670 58.2098 31.6732 178.0117 91 C 4.3048 7.8581 118.4400 59.3261 44.5257 175.6092 92 V 3.2192 7.2834 119.8415 65.8775 30.8521 178.1864 93 K 3.5499 7.7067 118.0787 59.1849 31.8431 179.5387 94 K 4.0184 7.4222 117.4741 59.4184 31.8859 179.5204 95 I 3.0245 7.4071 120.1659 63.9511 36.7980 178.5275 96 L 4.1803 8.1157 120.1570 57.9322 41.2761 179.2170 97 D 4.5681 8.3704 118.1362 56.7700 40.7842 178.3558 98 K 4.3478 7.9025 117.3112 58.2521 32.9534 177.8885 99 V 4.0965 8.3680 116.4845 62.0817 33.0719 176.7258 100 G 4.1301 7.8512 103.1769 44.7816 0.0000 173.8982 101 I 3.9686 8.3176 118.0334 63.8946 37.8355 177.3393 102 N 4.5844 8.2155 116.0517 55.4626 38.6173 175.1463 103 Y 3.9828 8.0419 119.3544 59.8769 39.0634 176.1046 104 W 4.4128 8.4424 120.7115 54.9921 28.2643 176.6119 105 L 4.0376 8.3426 124.8368 57.6095 40.9955 179.1402 106 A 3.9939 8.1152 120.4206 55.1384 18.3167 178.7621 107 H 3.8822 8.1850 116.4672 59.4103 29.7249 177.4099 108 K 4.0313 8.2489 120.4294 58.8228 32.2395 178.2217 109 A 4.1599 7.5670 119.7791 54.6473 18.5506 178.2131 110 L 4.7126 8.3368 112.8727 54.7725 43.1385 176.2525 111 C 5.0121 8.2167 115.9698 56.9423 38.0147 174.8281 112 S 4.3007 8.1377 115.2307 58.2495 63.0681 174.2651 113 E 4.6840 7.2838 114.9936 57.0245 32.2534 176.0877 114 K 4.2529 8.0122 120.6999 55.7537 33.4441 177.1983 115 L 5.1056 8.3172 118.5155 55.3683 43.1053 177.6556 116 D 4.3521 8.4892 120.6011 57.7685 40.7156 178.5274 117 Q 3.8457 7.7548 113.6486 57.5133 28.3901 176.5452 118 W 4.9635 7.7159 117.6639 56.5301 29.7910 175.7864 119 L 4.2779 7.7397 119.4440 53.8905 42.0083 175.7970 120 C 4.3366 7.7628 125.1955 55.7740 43.7363 174.9076 121 E 4.1388 8.6224 131.0796 53.3829 28.1913 174.5113 122 K 4.0721 7.6176 125.9469 54.7271 32.5037 176.5095 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 E 8.30 4.30 0.00 2.15 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 2.35 2.40 0.00 2 Q 8.72 4.67 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 3 L 8.53 4.80 0.00 1.52 1.51 0.95 0.73 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 4 T 9.01 4.57 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 1.30 0.00 0.00 5 K 8.96 3.51 0.00 1.99 1.92 0.00 2.02 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.66 1.88 7.81 6 C 8.12 4.35 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 7 E 7.90 3.91 0.00 2.17 1.95 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 2.32 2.30 0.00 8 V 7.83 3.42 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 0.87 0.00 0.00 0.47 0.00 0.00 9 F 8.06 3.89 0.00 3.22 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.34 4.19 0.00 2.07 2.00 0.00 3.21 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.02 0.00 11 E 8.43 4.20 0.00 1.93 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 2.32 2.43 0.00 12 L 7.55 4.38 0.00 1.52 1.43 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.41 3.75 0.00 2.00 1.80 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 D 7.93 4.46 0.00 2.59 2.63 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 15 L 8.01 4.19 0.00 1.60 1.68 -0.25 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.61 3.83 0.00 1.71 1.83 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.43 7.81 17 G 9.16 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 0.00 0.00 0.00 18 Y 8.07 3.90 0.00 3.11 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 19 G 8.88 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 0.00 0.00 0.00 20 G 8.33 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 21 V 7.36 4.29 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 0.18 0.00 0.00 0.73 0.00 0.00 22 S 8.90 4.91 0.00 4.06 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 23 L 8.61 3.98 0.00 1.32 0.88 0.48 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 24 P 0.00 4.54 0.00 2.30 2.36 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 25 E 8.11 3.89 0.00 2.11 1.78 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 2.43 2.33 0.00 26 W 7.89 4.33 0.00 3.39 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 27 V 8.26 3.70 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 1.32 0.00 0.00 1.24 0.00 0.00 28 C 7.93 2.50 0.00 1.30 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 29 T 7.82 3.82 4.29 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 1.25 0.00 0.00 30 T 8.45 3.97 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 0.97 0.00 0.00 31 F 8.11 3.50 0.00 3.04 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 32 H 7.87 4.25 0.00 3.15 3.33 0.00 5.88 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.33 4.49 4.49 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 1.45 0.00 0.00 34 S 7.99 4.45 0.00 3.88 4.04 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 35 G 8.43 3.37 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 0.00 36 Y 7.94 3.78 0.00 3.27 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 37 D 7.94 5.06 0.00 2.73 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 38 T 8.86 4.14 4.39 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 1.25 0.00 0.00 39 Q 8.54 4.64 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 40 A 7.79 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.13 4.67 1.78 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 1.05 0.72 0.63 0.00 0.00 42 V 8.31 4.29 2.17 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 0.99 0.00 0.00 0.93 0.00 0.00 43 Q 8.60 4.82 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 44 N 9.02 4.74 0.00 2.82 2.75 0.00 0.00 6.67 6.92 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 45 N 7.83 4.07 0.00 2.72 2.81 0.00 0.00 6.57 8.06 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 46 D 7.67 4.90 0.00 2.70 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 47 S 7.99 4.89 0.00 4.07 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 48 T 9.54 5.12 4.49 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 0.79 0.00 0.00 49 E 9.12 5.42 0.00 2.06 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 2.38 2.34 0.00 50 Y 9.25 4.81 0.00 3.10 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 51 G 8.83 4.42 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 0.00 52 L 8.65 3.92 0.00 1.41 1.28 0.83 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.09 4.73 0.00 3.08 3.39 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 54 Q 7.95 3.57 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 55 I 8.03 4.38 1.92 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.72 0.99 0.00 0.00 56 N 9.35 5.50 0.00 3.08 3.19 0.00 0.00 6.26 6.76 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 57 N 8.69 5.60 0.00 2.95 3.13 0.00 0.00 6.98 7.29 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 58 K 8.73 4.34 0.00 1.98 1.86 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.44 7.81 59 I 7.76 4.48 1.31 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.70 0.00 0.00 60 W 8.29 4.49 0.00 3.68 3.25 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 61 C 8.16 5.75 0.00 2.97 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 62 K 8.59 5.03 0.00 1.81 1.89 0.00 1.22 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.27 7.81 63 D 8.21 5.01 0.00 2.66 2.50 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 64 D 8.90 4.47 0.00 2.71 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 65 Q 8.23 4.05 0.00 2.07 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 66 N 7.75 4.50 0.00 3.03 2.89 0.00 0.00 6.95 7.64 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 67 P 0.00 4.45 0.00 2.05 2.14 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 68 H 7.73 4.95 0.00 3.10 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.84 4.39 0.00 4.08 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 0.00 70 S 7.93 4.01 0.00 3.91 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 71 N 7.76 4.27 0.00 2.96 2.75 0.00 0.00 7.11 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 72 I 8.22 3.75 1.90 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 1.12 0.00 0.00 73 C 8.75 4.52 0.00 3.39 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 74 N 8.30 4.12 0.00 2.73 2.78 0.00 0.00 6.85 7.74 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 75 I 8.20 4.27 1.85 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 0.86 0.80 0.90 0.00 0.00 76 S 8.19 4.59 0.00 3.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.37 3.47 0.00 2.02 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 78 D 7.69 4.17 0.00 2.85 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 79 K 7.60 4.16 0.00 1.43 2.05 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.48 7.81 80 F 7.60 5.54 0.00 3.34 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.12 5.15 0.00 1.85 1.76 1.15 1.26 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 82 D 7.87 4.76 0.00 2.79 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 83 D 8.57 4.59 0.00 2.70 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 84 D 7.67 4.67 0.00 2.67 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 85 L 8.37 4.56 0.00 1.73 1.71 0.86 0.77 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 86 T 8.16 3.84 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 1.19 0.00 0.00 87 D 8.09 4.45 0.00 3.07 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 88 D 8.17 4.03 0.00 3.00 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 89 I 7.93 3.19 1.91 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 1.23 0.81 0.62 0.00 0.00 90 M 7.76 3.91 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.45 0.00 91 C 7.86 4.30 0.00 3.07 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 92 V 7.28 3.22 1.43 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 0.28 0.00 0.00 -0.38 0.00 0.00 93 K 7.71 3.55 0.00 1.62 1.26 0.00 1.33 0.00 0.00 0.96 0.00 0.00 2.41 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.99 7.81 94 K 7.42 4.02 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.47 7.81 95 I 7.41 3.02 1.58 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.29 -0.14 0.00 0.00 96 L 8.12 4.18 0.00 2.11 1.96 1.24 1.45 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 97 D 8.37 4.57 0.00 2.88 2.82 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 98 K 7.90 4.35 0.00 2.04 2.02 0.00 1.99 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.71 7.81 99 V 8.37 4.10 2.36 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 0.94 0.00 0.00 1.19 0.00 0.00 100 G 7.85 4.13 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 0.00 0.00 0.00 101 I 8.32 3.97 1.70 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.86 0.77 0.00 0.00 102 N 8.22 4.58 0.00 2.82 2.92 0.00 0.00 6.84 7.46 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 0.00 103 Y 8.04 3.98 0.00 2.69 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 0.00 0.00 0.00 0.00 104 W 8.44 4.41 0.00 3.76 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 0.00 105 L 8.34 4.04 0.00 1.67 1.72 0.88 0.82 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 0.00 106 A 8.12 3.99 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 0.00 107 H 8.19 3.88 0.00 3.14 3.46 0.00 5.59 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 0.00 108 K 8.25 4.03 0.00 1.84 1.84 0.00 1.68 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.38 7.81 109 A 7.57 4.16 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 0.00 110 L 8.34 4.71 0.00 1.36 1.59 0.79 1.06 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 0.00 111 C 8.22 5.01 0.00 2.77 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 0.00 112 S 8.14 4.30 0.00 3.81 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 0.00 113 E 7.28 4.68 0.00 2.04 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 2.17 2.31 0.00 114 K 8.01 4.25 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 L 8.32 5.11 0.00 1.98 1.98 0.98 0.86 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 0.00 116 D 8.49 4.35 0.00 2.66 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 0.00 117 Q 7.75 3.85 0.00 1.48 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.95 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 118 W 7.72 4.96 0.00 3.50 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 0.00 119 L 7.74 4.28 0.00 1.70 1.49 0.93 0.98 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 0.00 120 C 7.76 4.34 0.00 2.63 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 0.00 0.00 0.00 0.00 121 E 8.62 4.14 0.00 2.03 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 0.00 2.21 1.87 0.00 122 K 7.62 4.07 0.00 1.87 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.14 0.72 7.81