NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4548 8.3044 118.1951 55.3048 32.5652 174.3523 1 V 4.2373 7.8244 118.3368 60.9826 34.3525 172.9106 2 L 4.2830 8.2979 127.5634 54.0463 43.4777 176.9799 3 S 4.5017 8.7900 117.4683 57.7525 65.2305 175.0663 4 E 4.2713 8.8999 122.9486 59.6509 29.3600 179.2239 5 G 3.6505 8.1264 105.1850 47.8509 0.0000 175.3596 6 E 3.9163 8.2753 120.8918 58.9703 29.3616 179.4184 7 W 4.4389 8.2199 119.0393 60.0731 29.0822 178.6390 8 Q 4.1573 8.6932 118.2505 58.8611 27.9630 178.7584 9 L 4.0805 8.0519 120.2500 57.6103 41.6156 179.6510 10 V 3.7596 7.9825 118.2582 66.2262 31.6177 178.1408 11 L 4.3326 8.5182 118.5534 57.6569 41.2466 179.1123 12 H 4.2867 8.4115 116.3546 58.5534 28.9403 177.7265 13 V 3.8268 7.9068 121.2872 64.4305 31.4350 178.3167 14 W 3.7818 8.5613 128.8409 60.0169 30.2807 177.7438 15 A 4.0408 8.0314 120.1642 54.9524 18.0081 179.4251 16 K 3.9581 7.8376 117.2087 59.2277 32.1589 179.4041 17 V 2.6652 7.2216 118.0469 65.9092 30.9321 177.3476 18 E 4.0282 7.5886 114.9725 57.6512 29.3559 178.4186 19 A 4.2000 7.5008 121.2815 54.3652 20.0448 177.7214 20 D 4.7001 7.8642 115.7366 52.3231 43.1050 175.8143 21 V 3.6089 7.8431 123.8099 64.1715 31.8419 178.2902 22 A 4.0299 7.9779 121.1185 54.9946 18.3143 179.7078 23 G 3.4962 8.4220 104.2329 48.2077 0.0000 175.7013 24 H 4.1541 8.2172 118.4773 58.4632 28.6345 178.1691 25 G 3.5431 8.3748 107.9160 47.7301 0.0000 175.7576 26 Q 3.8966 8.0350 120.4386 58.9187 28.7104 178.7628 27 D 4.2659 7.9322 119.7678 57.3034 40.7255 179.0456 28 I 3.6336 7.8063 120.3180 64.3111 37.0836 178.5077 29 L 3.3934 7.7826 119.8302 57.5406 41.2647 179.6682 30 I 3.5976 7.6431 119.8234 64.2340 36.9495 178.3645 31 R 3.7480 7.9561 119.6342 59.2343 29.8279 178.1350 32 L 3.8802 7.7801 120.1013 58.4529 42.0787 179.1460 33 F 4.5645 7.8630 117.5899 60.3908 38.5527 177.9756 34 K 4.0369 8.1661 117.9297 59.4667 31.9986 179.2744 35 S 4.2843 8.0908 114.6699 60.2625 64.1882 174.5112 36 H 4.7011 8.1290 118.2942 52.1454 29.5326 171.9536 37 P 4.7552 0.0000 0.0000 64.4537 31.3777 177.5578 38 E 4.1120 8.2442 116.5106 59.4476 29.3779 179.1368 39 T 3.7156 8.2316 111.4095 64.5054 68.8187 176.2856 40 L 3.7647 7.9792 122.6595 57.7462 41.7554 178.5439 41 E 4.1741 7.9010 117.2520 58.4325 29.4446 178.5704 42 K 4.4382 8.0665 117.5796 56.9430 32.7238 177.3812 43 F 4.4795 8.2046 119.1732 55.8297 39.1936 175.8117 44 D 4.4127 8.5295 124.7338 57.3288 40.7841 178.5766 45 R 3.9274 7.6803 116.9574 57.6270 30.4300 176.9617 46 F 5.0752 7.5821 114.8579 56.8996 40.8735 176.7625 47 K 4.0892 8.1196 119.8390 58.8138 32.4996 177.8017 48 H 4.3980 8.1412 114.4891 57.3000 29.0246 175.6681 49 L 4.1243 7.5872 121.6708 54.8401 41.7377 176.9285 50 K 4.3438 9.3055 123.2905 57.4048 33.4681 177.0175 51 T 4.7426 7.3080 107.6109 58.8062 73.2823 174.1783 52 E 3.8974 8.7005 121.2552 59.3431 29.6680 178.6979 53 A 4.0027 7.9331 120.3790 55.2389 18.2830 179.3116 54 E 3.9391 7.9833 116.0419 59.7335 29.9145 179.1296 55 M 4.1750 8.1896 118.7812 58.4532 31.8183 179.0282 56 K 3.9869 8.3397 117.6523 58.9866 32.3036 178.4858 57 A 4.4732 7.5966 118.4448 51.7635 19.0541 177.1239 58 S 4.3444 7.5324 113.3912 57.0659 62.4757 174.2584 59 E 3.9822 8.8885 129.6296 59.5205 29.4396 178.2552 60 D 4.4718 8.1668 118.5531 57.2672 40.9144 178.3216 61 L 3.2768 8.1753 121.0197 57.5856 41.9935 178.9097 62 K 3.8471 8.0171 119.6537 59.5495 32.2405 178.9733 63 K 4.0243 8.3047 118.8729 59.5499 31.8651 178.8460 64 H 4.3487 8.5658 118.7649 59.3756 29.8190 177.5672 65 G 3.5519 8.2680 107.6535 47.7609 0.0000 175.7643 66 V 3.6073 7.7990 120.4347 65.8583 31.5141 178.4289 67 R 3.9496 7.8132 117.4014 59.1174 29.8801 179.1450 68 V 3.6177 7.8832 118.0613 66.2369 31.5474 178.2089 69 L 4.2391 8.2068 118.7035 57.9926 41.4131 179.6765 70 T 4.0420 8.2860 115.8677 66.4191 68.3485 176.6996 71 A 3.9950 8.2393 122.8814 55.0002 18.3947 179.4647 72 L 3.7144 8.1927 119.1535 58.1166 42.0724 179.3675 73 G 3.1771 8.4376 105.8687 47.6026 0.0000 175.4949 74 A 3.9489 7.8876 122.1948 54.7848 18.7301 179.5564 75 I 3.7665 7.6041 118.3001 64.6171 37.1576 178.6306 76 L 4.0033 7.9461 120.1241 57.7709 41.1827 179.7614 77 K 3.8740 7.8672 117.1839 58.6533 32.2226 178.8455 78 K 3.9313 7.7775 117.9550 56.1646 32.4197 176.7045 79 K 2.0000 8.3292 118.3857 56.2676 29.7745 175.8726 80 G 3.9240 7.8707 106.2147 45.6814 0.0000 173.9789 81 H 4.6329 7.3877 119.2723 55.3205 27.4523 174.8642 82 H 5.4619 7.5641 110.7150 54.2719 29.6769 176.6086 83 E 3.9625 8.5118 120.7887 60.5187 28.9393 178.5072 84 A 4.0284 7.9083 120.1582 54.6866 18.5928 178.9869 85 E 4.1163 8.1337 116.7149 59.4426 29.6909 179.2957 86 L 3.9763 8.3713 119.3151 57.2602 41.6190 179.3574 87 K 3.9224 7.8981 118.9660 59.1947 32.0077 177.4877 88 P 4.3202 0.0000 0.0000 65.6525 31.3026 178.0927 89 L 4.0277 7.6456 119.5889 58.0119 41.9737 178.9089 90 A 4.1455 8.6905 121.0776 55.1718 18.2632 179.4062 91 Q 3.9256 8.2849 118.1338 59.3579 29.0786 178.2228 92 D 4.2349 8.3629 120.0315 57.8771 40.8753 178.6170 93 H 4.1955 8.7372 116.5145 58.2772 28.2353 177.9418 94 A 2.7691 8.4098 123.2703 54.7942 18.1163 179.2324 95 T 3.9919 7.5318 111.7355 64.2291 69.6934 176.3492 96 K 3.9983 7.5955 120.6052 58.9156 32.6399 177.1141 97 H 4.4472 7.8665 113.6310 55.3220 29.8777 175.2008 98 K 3.3089 7.3986 116.6883 56.0843 28.5386 175.1075 99 I 4.3898 7.9120 118.6663 58.6588 38.6257 174.9367 100 P 4.6388 0.0000 0.0000 62.1351 32.1833 177.3771 101 I 3.7232 8.4326 120.2633 64.5813 36.8810 178.4217 102 K 3.9058 7.8152 121.1926 59.1569 31.9335 178.2391 103 Y 4.2291 7.9181 116.8596 60.8019 37.8339 178.0351 104 L 4.2189 7.9753 119.6784 57.6186 41.5827 179.1712 105 E 4.0225 8.3508 119.0324 59.4813 29.4396 179.2986 106 F 4.6228 7.8280 117.8339 60.8099 38.8901 177.6195 107 I 3.9033 8.2651 118.1413 63.8309 37.7493 178.1476 108 S 4.1892 8.3164 116.4661 61.5687 62.6104 176.1311 109 E 4.0240 8.5904 121.8705 59.2728 29.3360 178.7496 110 A 4.0001 8.1758 120.8397 55.0627 18.3618 179.6115 111 I 3.6567 8.1574 118.6831 64.7525 37.1802 178.7335 112 I 3.7814 7.9734 120.5506 64.5622 36.9169 178.0125 113 H 4.0929 8.5592 119.3325 59.3019 29.6512 177.5771 114 V 3.5491 7.9787 120.0933 65.9621 31.2901 178.0089 115 L 3.7246 7.8794 118.9262 57.8309 41.0319 178.9495 116 H 4.3702 8.0005 117.5555 59.2767 29.8708 177.0710 117 S 4.1496 7.8116 114.0861 61.4087 62.3714 175.8946 118 R 4.0641 7.9679 119.4714 57.5412 31.0978 176.5444 119 H 5.0510 8.2046 115.5189 53.9950 29.2741 173.3599 120 P 4.2915 0.0000 0.0000 65.5910 31.5840 178.3141 121 G 3.7716 8.0947 106.7334 47.7260 0.0000 173.7494 122 N 5.1337 8.4257 115.1369 52.7537 40.5418 174.4616 123 F 4.8436 8.0230 119.1246 56.4674 39.7741 174.9188 124 G 3.8678 7.8252 108.1278 44.1021 0.0000 172.4601 125 A 3.8864 8.3745 120.6426 55.3323 18.4326 179.7382 126 D 4.1796 7.9535 116.6966 57.4711 40.8994 178.7849 127 A 3.9176 7.7191 120.7946 55.0045 18.3779 179.3179 128 Q 2.9141 7.8274 118.6025 58.7922 29.0128 178.6154 129 G 3.5351 8.1623 106.8409 47.6793 0.0000 175.5723 130 A 3.8531 7.9755 123.1346 55.0571 18.3096 179.4467 131 M 3.9920 8.2378 116.9563 58.6755 32.2790 177.8830 132 N 4.3026 8.5743 117.7542 56.5827 39.0713 176.7415 133 K 3.8501 8.1618 120.7859 59.4020 32.2898 178.6223 134 A 3.8145 8.0213 121.2220 55.1846 18.1880 179.6647 135 L 4.1236 8.3133 117.7523 57.7892 41.6537 179.5261 136 E 3.9890 8.6422 119.2341 59.1812 29.2814 179.0974 137 L 3.9677 8.1816 120.5309 58.0476 42.1336 178.6947 138 F 4.1188 8.4018 120.5684 61.5796 39.2755 177.3899 139 R 3.5146 8.3818 117.9008 58.7727 29.8122 178.9401 140 K 3.8358 8.3842 119.9537 59.6818 32.2393 178.6971 141 D 4.3247 8.2887 119.3970 57.1871 40.7066 178.7581 142 I 3.3250 7.6508 120.5706 64.1629 36.9891 178.2772 143 A 3.7458 7.9661 121.6463 54.9748 18.1307 179.5790 144 A 3.9400 7.9124 119.3085 55.2285 18.3986 180.0928 145 K 3.9792 8.0833 117.0571 59.6233 32.0215 178.9771 146 Y 4.4804 8.5716 117.5003 61.3336 37.9490 178.9189 147 K 3.9692 8.2284 120.2279 59.5945 32.0837 178.6304 148 E 4.0301 8.0309 117.8860 59.3214 29.5126 178.7289 149 L 4.3306 7.9710 116.6332 55.3854 41.9748 177.8701 150 G 3.9541 7.9559 107.0729 45.0837 0.0000 172.2972 151 Y 4.7364 7.8383 120.9180 55.2602 40.2425 175.5594 152 Q 3.7500 8.4768 128.6372 56.9886 29.5910 175.9673 153 G 3.6802 5.6103 110.0517 45.6572 0.0000 173.0615 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 0 M 8.30 4.45 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.82 4.24 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 0.85 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.28 0.00 0.88 0.64 0.64 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.79 4.50 0.00 4.05 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 4 E 8.90 4.27 0.00 2.21 2.07 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 2.44 2.53 0.00 5 G 8.13 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.28 3.92 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 7 W 8.22 4.44 0.00 3.58 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.69 4.16 0.00 2.28 2.30 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 2.70 2.63 0.00 9 L 8.05 4.08 0.00 1.88 1.74 0.89 0.79 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 10 V 7.98 3.76 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.52 4.33 0.00 1.82 1.77 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.41 4.29 0.00 3.32 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.91 3.83 2.52 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 1.13 0.00 0.00 0.93 0.00 0.00 14 W 8.56 3.78 0.00 3.72 3.21 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 0.00 15 A 8.03 4.04 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 16 K 7.84 3.96 0.00 1.47 1.58 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 17 V 7.22 2.67 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 0.00 0.00 0.07 0.00 0.00 0.10 0.00 0.00 18 E 7.59 4.03 0.00 2.05 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 2.31 2.23 0.00 19 A 7.50 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.86 4.70 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.61 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 0.84 0.00 0.00 0.88 0.00 0.00 22 A 7.98 4.03 1.31 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 0.00 0.00 0.00 23 G 8.42 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.22 4.15 0.00 3.25 3.21 0.00 5.82 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 25 G 8.37 3.54 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 26 Q 8.03 3.90 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 27 D 7.93 4.27 0.00 2.76 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 28 I 7.81 3.63 1.86 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 1.49 0.62 0.87 0.00 0.00 29 L 7.78 3.39 0.00 1.37 1.01 0.77 0.42 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 30 I 7.64 3.60 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.91 0.00 0.00 31 R 7.96 3.75 0.00 1.90 2.02 0.00 2.99 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 32 L 7.78 3.88 0.00 1.70 1.36 1.04 1.12 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 33 F 7.86 4.56 0.00 3.03 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 34 K 8.17 4.04 0.00 1.72 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.60 7.81 35 S 8.09 4.28 0.00 3.71 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.13 4.70 0.00 2.86 2.64 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.76 0.00 2.15 2.10 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.24 4.11 0.00 2.31 2.30 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 2.27 2.59 0.00 39 T 8.23 3.72 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 0.86 0.00 0.00 40 L 7.98 3.76 0.00 1.28 1.71 -0.18 0.48 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 41 E 7.90 4.17 0.00 2.17 2.06 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 2.39 2.54 0.00 42 K 8.07 4.44 0.00 1.83 1.71 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.74 1.98 7.81 43 F 8.20 4.48 0.00 3.33 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 44 D 8.53 4.41 0.00 2.58 2.69 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 45 R 7.68 3.93 0.00 0.79 1.00 0.00 2.97 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 46 F 7.58 5.08 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.12 4.09 0.00 1.89 2.24 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.40 7.81 48 H 8.14 4.40 0.00 3.31 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.59 4.12 0.00 1.58 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.31 4.34 0.00 1.78 1.84 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.51 7.81 51 T 7.31 4.74 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 1.20 0.00 0.00 52 E 8.70 3.90 0.00 2.04 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 2.36 2.36 0.00 53 A 7.93 4.00 1.31 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 0.00 0.00 0.00 54 E 7.98 3.94 0.00 2.09 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 2.35 0.00 55 M 8.19 4.17 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 56 K 8.34 3.99 0.00 1.87 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.54 7.81 57 A 7.60 4.47 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 58 S 7.53 4.34 0.00 3.93 3.87 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 59 E 8.89 3.98 0.00 2.14 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 2.40 2.50 0.00 60 D 8.17 4.47 0.00 3.04 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 61 L 8.18 3.28 0.00 1.25 1.58 -0.04 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.02 3.85 0.00 1.85 1.96 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.30 4.02 0.00 2.06 1.91 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.62 7.81 64 H 8.57 4.35 0.00 3.54 3.49 0.00 5.79 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 65 G 8.27 3.55 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 0.00 0.00 0.00 66 V 7.80 3.61 2.28 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 1.04 0.00 0.00 0.99 0.00 0.00 67 R 7.81 3.95 0.00 2.10 2.02 0.00 3.31 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 68 V 7.88 3.62 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 1.16 0.00 0.00 0.88 0.00 0.00 69 L 8.21 4.24 0.00 1.80 1.92 0.88 0.89 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 70 T 8.29 4.04 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.24 4.00 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 72 L 8.19 3.71 0.00 1.58 1.71 0.26 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 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 0.00 0.00 0.00 74 A 7.89 3.95 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 75 I 7.60 3.77 1.88 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 1.55 1.08 0.91 0.00 0.00 76 L 7.95 4.00 0.00 1.33 1.61 -0.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.87 3.87 0.00 1.75 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.78 3.93 0.00 1.87 1.78 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.75 7.81 79 K 8.33 2.00 0.00 1.16 0.74 0.00 1.37 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.40 1.00 7.81 80 G 7.87 3.92 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 0.00 0.00 0.00 81 H 7.39 4.63 0.00 3.16 3.36 0.00 5.80 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 82 H 7.56 5.46 0.00 3.28 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.51 3.96 0.00 2.20 2.28 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 2.38 2.34 0.00 84 A 7.91 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.13 4.12 0.00 2.24 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 2.40 2.47 0.00 86 L 8.37 3.98 0.00 1.69 1.68 0.75 1.28 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 87 K 7.90 3.92 0.00 1.78 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 88 P 0.00 4.32 0.00 2.30 2.33 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 89 L 7.65 4.03 0.00 2.05 1.92 1.04 1.26 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 90 A 8.69 4.15 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 91 Q 8.28 3.93 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 92 D 8.36 4.23 0.00 2.97 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 93 H 8.74 4.20 0.00 3.54 3.60 0.00 5.81 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 94 A 8.41 2.77 0.97 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 95 T 7.53 3.99 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 1.11 0.00 0.00 96 K 7.60 4.00 0.00 1.53 1.57 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 7.87 4.45 0.00 3.06 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.40 3.31 0.00 1.80 1.74 0.00 1.47 0.00 0.00 2.15 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.22 7.81 99 I 7.91 4.39 2.13 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 1.44 1.03 1.20 0.00 0.00 100 P 0.00 4.64 0.00 1.96 1.96 0.00 3.26 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.44 0.00 101 I 8.43 3.72 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.89 0.85 0.00 0.00 102 K 7.82 3.91 0.00 1.66 1.62 0.00 1.89 0.00 0.00 1.97 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.80 1.00 7.81 103 Y 7.92 4.23 0.00 3.29 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 0.00 104 L 7.98 4.22 0.00 1.87 1.85 0.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.35 4.02 0.00 2.03 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 2.46 0.00 106 F 7.83 4.62 0.00 3.23 2.88 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 0.00 107 I 8.27 3.90 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 1.14 0.00 0.00 108 S 8.32 4.19 0.00 4.20 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 0.00 109 E 8.59 4.02 0.00 2.17 2.30 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 2.39 2.42 0.00 110 A 8.18 4.00 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 I 8.16 3.66 2.10 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 1.61 0.73 1.05 0.00 0.00 112 I 7.97 3.78 2.13 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 1.72 0.86 1.15 0.00 0.00 113 H 8.56 4.09 0.00 3.34 3.48 0.00 5.78 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 0.00 114 V 7.98 3.55 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 0.98 0.00 0.00 0.94 0.00 0.00 115 L 7.88 3.72 0.00 0.40 0.48 0.76 0.75 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 0.00 116 H 8.00 4.37 0.00 3.44 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.81 4.15 0.00 3.81 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 0.00 118 R 7.97 4.06 0.00 1.60 1.53 0.00 3.09 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 119 H 8.20 5.05 0.00 3.24 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.17 2.16 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 121 G 8.09 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 0.00 122 N 8.43 5.13 0.00 2.74 2.87 0.00 0.00 6.65 7.40 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 0.00 123 F 8.02 4.84 0.00 3.00 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 0.00 124 G 7.83 3.87 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 0.00 0.00 0.00 125 A 8.37 3.89 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 0.00 126 D 7.95 4.18 0.00 2.64 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 0.00 127 A 7.72 3.92 1.21 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 0.00 0.00 0.00 128 Q 7.83 2.91 0.00 1.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 129 G 8.16 3.54 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 0.00 130 A 7.98 3.85 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 0.00 131 M 8.24 3.99 0.00 2.43 2.42 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 2.79 2.93 0.00 132 N 8.57 4.30 0.00 2.86 2.94 0.00 0.00 6.84 6.30 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 0.00 133 K 8.16 3.85 0.00 1.90 1.66 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 8.02 3.81 1.23 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 0.00 135 L 8.31 4.12 0.00 1.75 1.82 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.64 3.99 0.00 2.19 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 2.34 2.57 0.00 137 L 8.18 3.97 0.00 1.79 1.94 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.40 4.12 0.00 3.17 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.38 3.51 0.00 1.98 1.86 0.00 3.20 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.02 0.00 140 K 8.38 3.84 0.00 1.81 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.29 4.32 0.00 2.72 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 0.00 142 I 7.65 3.33 1.31 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.27 -0.03 0.00 0.00 143 A 7.97 3.75 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 0.00 144 A 7.91 3.94 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 0.00 145 K 8.08 3.98 0.00 1.88 1.90 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.60 7.81 146 Y 8.57 4.48 0.00 3.13 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 0.00 147 K 8.23 3.97 0.00 1.98 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 8.03 4.03 0.00 2.19 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 2.36 2.53 0.00 149 L 7.97 4.33 0.00 1.87 1.74 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 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 0.00 151 Y 7.84 4.74 0.00 2.61 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 0.00 152 Q 8.48 3.75 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 153 G 5.61 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00