NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4193 8.3044 118.1933 55.1649 32.6139 173.7055 2 E 4.4911 8.1159 118.8670 53.0651 32.1505 171.9736 3 E 3.8603 9.5165 128.0587 58.6423 30.7771 176.4733 4 I 3.8186 5.4200 116.0680 58.3557 40.9084 175.2117 5 N 4.5779 7.7546 121.4658 52.0331 39.6125 175.4140 6 T 3.7635 8.2313 120.1525 64.6366 68.6691 175.9528 7 K 3.9054 7.9905 121.8615 59.2376 32.3173 178.2204 8 E 3.8924 8.7467 119.9173 59.3447 29.5098 178.9767 9 V 3.6941 8.0988 118.3000 65.6906 31.5469 177.8114 10 A 4.0657 8.5834 121.0888 55.2849 18.2373 179.2850 11 Q 3.9249 8.2859 118.0323 59.5215 29.1344 178.7490 12 R 3.9892 8.1923 118.9780 59.3560 30.0722 179.1726 13 I 3.6403 8.0431 119.6002 64.5710 37.0561 178.4771 14 T 3.8043 7.9929 116.8292 66.9313 68.3311 176.7523 15 T 3.9083 8.2102 111.8568 64.7453 68.9229 176.1146 16 E 4.0923 8.6940 122.7504 58.9525 29.6386 178.7330 17 L 3.9699 8.2263 119.3480 57.8937 41.7025 179.7374 18 K 3.9496 7.9208 117.9275 59.3471 31.7139 179.5116 19 R 3.9716 8.0405 117.5022 59.4716 30.1611 177.8773 20 Y 4.3810 8.0711 112.6092 56.6338 38.8910 175.8084 21 S 3.6900 7.7629 115.1038 59.7476 61.0364 173.0049 22 I 4.4257 8.2777 120.2188 58.8246 38.6639 175.5614 23 P 4.4658 0.0000 0.0000 62.4923 33.3176 177.1085 24 Q 3.9524 8.6943 118.7584 59.2857 28.7093 179.0071 25 A 3.9751 8.0888 121.0538 55.4362 18.2919 179.6584 26 I 3.6176 7.6496 117.3788 64.5466 37.3526 178.2695 27 F 3.8194 7.9654 121.0018 60.9984 39.0511 176.9889 28 A 3.7780 8.5925 120.5931 55.4182 17.7454 179.7567 29 Q 3.9356 8.0479 116.5120 58.8293 28.5058 179.2252 30 R 3.8412 7.7170 118.2470 59.0551 30.4260 178.1033 31 V 3.6348 7.0128 116.4533 64.5043 31.7434 176.6757 32 L 4.2031 7.2242 116.6938 53.9875 42.6520 175.7387 33 C 4.0992 7.7955 114.1471 59.8660 25.3367 172.2196 34 R 4.6717 7.9257 116.3367 53.5285 34.3647 176.1110 35 S 4.4812 8.1541 114.0609 57.6114 65.4244 174.9684 36 Q 4.0159 8.5393 123.1222 59.3547 28.9303 178.6145 37 G 3.6447 8.0582 106.1265 48.2139 0.0000 175.4045 38 T 3.8611 7.9149 118.3558 66.2945 68.4277 176.4454 39 L 3.9004 7.9369 122.1289 57.9697 42.1535 178.7144 40 S 4.0522 8.3029 113.4680 61.6859 62.2874 175.8436 41 D 4.3578 8.0161 120.2399 57.2702 40.7088 178.1566 42 L 4.1674 7.6799 118.6712 57.8276 41.6837 179.1745 43 L 4.2165 8.0337 118.1881 57.3134 41.6313 178.8411 44 R 4.2513 7.8574 117.6616 57.5042 31.4349 176.1556 45 N 5.1218 8.4078 114.6441 51.1956 39.1082 173.0724 46 P 4.5482 0.0000 0.0000 62.6089 32.5873 177.1079 47 K 4.2315 8.4138 122.1912 54.7979 33.0722 175.1130 48 P 4.3018 0.0000 0.0000 62.3978 32.0330 176.8631 49 W 4.0787 9.0526 131.3073 60.6625 30.6036 178.1144 50 S 4.0820 8.2520 111.1703 60.5674 62.2816 174.6203 51 K 4.2238 7.8147 119.8731 55.8674 32.4697 175.8509 52 L 4.2379 7.3608 120.3210 55.0706 44.5774 174.1428 53 K 4.0910 8.6041 121.5988 56.4887 33.0864 178.4580 54 S 4.0687 9.3803 125.5636 61.8761 63.2527 174.7278 55 G 3.9382 7.9662 107.6548 46.9466 0.0000 175.3343 56 R 3.6537 7.8410 120.1060 58.9927 29.8073 178.3594 57 E 4.0764 7.8722 118.0035 59.7494 29.7775 179.0095 58 T 3.8979 7.9979 115.1897 66.8288 68.5270 176.4700 59 F 4.2289 8.1877 119.0196 60.1971 38.8553 177.8711 60 R 4.2187 8.5516 118.9139 59.6033 29.9617 178.7947 61 R 4.0429 8.6902 118.3885 59.3293 29.9732 179.0015 62 M 4.3949 8.0902 118.3444 58.1001 32.1081 178.4773 63 W 4.7666 8.6731 128.5182 60.7177 31.0545 177.9811 64 K 3.6568 8.5069 118.6914 59.1896 31.3007 178.8890 65 W 4.2794 8.1288 127.0986 60.7668 30.7125 177.6996 66 L 3.9280 8.0244 117.3254 57.6942 41.1066 179.0675 67 Q 3.7932 7.1576 116.2734 56.6896 29.0045 176.5163 68 E 3.9705 6.7326 118.8281 54.9409 30.3349 175.0578 69 P 4.3199 0.0000 0.0000 62.3522 32.4685 176.7556 70 E 3.6945 8.9952 120.8320 59.7702 29.3737 179.2964 71 F 4.2282 8.3411 113.8345 60.1410 37.6735 177.0657 72 Q 3.2792 6.6355 121.0493 57.7892 28.4705 178.0397 73 R 3.4714 7.3342 117.7555 59.6015 30.2210 178.4507 74 M 4.3345 7.8804 118.4496 58.3902 31.8108 179.0625 75 S 4.1791 8.1050 114.2570 61.2806 63.0774 176.2557 76 A 4.0142 8.2260 123.7859 54.6139 18.1084 178.9076 77 L 4.2267 7.5130 116.0311 56.5753 41.9631 178.7522 78 R 4.0238 8.1216 118.2609 58.4882 30.1679 177.0213 79 L 4.4096 7.4121 118.3700 52.7761 43.8613 174.4535 *100 P 4.2009 0.0000 0.0000 61.2066 33.3162 178.6429 101 R 3.2133 7.9220 111.7305 56.8417 28.3773 175.5194 102 L 4.1135 8.1879 125.1119 54.6918 42.8250 176.3455 103 V 4.2638 7.8465 124.0479 59.4482 34.0117 175.4352 104 F 4.7877 8.2493 122.1823 57.4912 39.6492 175.9901 105 T 4.3097 8.6969 115.3199 61.1466 70.9144 175.6756 106 D 4.3133 8.5397 120.8963 57.4851 40.7450 179.2502 107 V 3.5156 7.6909 118.0527 66.1831 31.5279 177.9160 108 Q 3.7718 7.9690 117.6972 58.7755 28.5129 178.8931 109 R 3.4670 8.0081 119.7021 59.3720 30.1012 178.7112 110 R 3.8403 8.1923 118.2443 59.5261 29.9557 179.2911 111 T 3.7982 7.9029 115.4028 66.6794 68.5173 176.7846 112 L 3.6343 7.7135 121.1079 57.8895 41.3293 179.4864 113 H 4.3117 8.1497 115.8721 58.7892 28.2115 177.5638 114 A 4.0507 8.2403 122.7595 55.3009 18.2319 179.7516 115 I 3.8827 8.0536 119.7143 64.2089 37.0709 178.3660 116 F 4.6611 8.4132 119.9928 61.3929 39.1797 176.1118 117 K 4.0024 8.2126 119.2640 58.5049 31.8248 176.9079 118 E 4.4314 7.6533 114.2623 56.0685 30.4443 175.1524 119 N 4.7321 7.8354 118.3293 52.8219 39.8341 173.8016 120 K 3.9862 8.2848 125.2353 58.3916 32.7448 178.1313 121 R 4.5903 7.4284 116.8087 52.8724 30.4370 172.8014 122 P 4.2335 0.0000 0.0000 62.2896 32.2344 178.0298 123 S 4.3399 8.2160 115.5386 57.8246 65.0892 175.2959 124 K 3.8705 8.4037 122.4486 59.6127 31.9487 178.2772 125 E 3.8921 8.0938 119.1582 59.1982 29.5247 178.4067 126 L 3.9682 7.8851 120.3911 58.1882 42.0947 178.9661 127 Q 4.0042 8.2346 118.2955 58.9240 28.6259 178.7951 128 I 3.8374 8.0649 121.1343 64.6361 37.0786 178.5875 129 T 3.8789 7.9765 116.5050 66.6918 68.2604 176.6557 130 I 3.7315 8.0846 122.2390 64.4988 37.0780 178.6608 131 S 4.1621 8.3695 115.1959 61.5152 62.5964 176.6622 132 Q 3.9655 8.2552 121.6216 58.9319 28.3050 178.6494 133 Q 4.1203 8.3407 118.2722 58.2217 28.8536 177.7309 134 L 4.4466 8.0285 117.3993 53.4100 42.5469 176.3700 135 G 3.8845 7.7492 105.5203 47.0225 0.0000 173.6304 136 L 4.8997 7.8817 117.4625 52.0209 45.3099 177.5452 137 E 4.2388 8.4367 119.9564 55.9261 31.4276 177.9808 138 L 4.0214 8.5538 123.8348 58.4532 42.1640 179.5237 139 S 4.1722 8.1479 113.6191 61.9662 62.7975 176.5337 140 T 3.9747 7.8533 118.8030 66.3015 68.1482 176.6516 141 V 3.7742 7.8885 119.9766 66.0817 31.6314 178.0142 142 S 4.4818 8.4723 114.5556 61.0620 62.2875 175.7856 143 N 4.3804 8.7367 119.6335 56.2407 38.2742 176.9556 144 F 4.0244 8.4563 121.9487 61.5409 39.4625 177.3114 145 F 3.7169 8.0407 117.2346 60.5821 38.6050 177.6656 146 M 4.1158 8.2450 118.4162 58.4993 31.7282 178.6230 147 N 4.2571 8.5763 116.8259 55.9984 38.8255 177.4236 148 A 3.3552 7.6015 122.6079 54.7928 17.9338 179.9322 149 R 4.0811 7.5972 115.5245 59.5535 30.2781 179.0288 150 R 4.0558 7.6249 116.9502 58.5433 30.1336 177.7446 151 R 4.5136 7.5884 114.8934 55.8081 30.6255 177.8216 152 S 4.2488 8.3872 116.0203 63.0971 63.2059 177.0191 153 L 3.1376 6.8567 117.3331 55.4527 42.8557 175.6897 154 D 4.3702 7.7568 118.0993 53.1983 44.3854 175.9770 155 K 4.2316 8.8781 121.5821 56.9808 32.6079 175.9869 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 8.30 4.42 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 2 E 8.12 4.49 0.00 1.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 3 E 9.52 3.86 0.00 1.90 1.14 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 2.01 2.26 0.00 4 I 5.42 3.82 0.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.28 0.64 0.00 0.00 5 N 7.75 4.58 0.00 2.52 2.48 0.00 0.00 6.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.23 3.76 3.72 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 0.81 0.00 0.00 7 K 7.99 3.91 0.00 1.87 1.99 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 8 E 8.75 3.89 0.00 1.99 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 2.26 2.28 0.00 9 V 8.10 3.69 2.27 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 1.31 0.00 0.00 0.86 0.00 0.00 10 A 8.58 4.07 1.54 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 11 Q 8.29 3.92 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 12 R 8.19 3.99 0.00 2.23 2.11 0.00 3.30 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 13 I 8.04 3.64 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.91 0.38 0.00 0.00 14 T 7.99 3.80 4.40 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 1.21 0.00 0.00 15 T 8.21 3.91 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 1.32 0.00 0.00 16 E 8.69 4.09 0.00 2.47 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 2.50 2.48 0.00 17 L 8.23 3.97 0.00 1.74 1.84 0.60 0.21 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 18 K 7.92 3.95 0.00 2.10 1.89 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.31 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.54 7.81 19 R 8.04 3.97 0.00 2.28 2.00 0.00 3.32 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 20 Y 8.07 4.38 0.00 2.99 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 21 S 7.76 3.69 0.00 4.03 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 22 I 8.28 4.43 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.96 0.00 0.00 23 P 0.00 4.47 0.00 2.26 2.18 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 24 Q 8.69 3.95 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 25 A 8.09 3.98 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 26 I 7.65 3.62 2.02 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 0.53 0.93 0.00 0.00 27 F 7.97 3.82 0.00 2.78 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 28 A 8.59 3.78 1.44 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 0.00 0.00 0.00 29 Q 8.05 3.94 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 30 R 7.72 3.84 0.00 1.73 2.04 0.00 3.28 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 31 V 7.01 3.63 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 0.00 0.00 0.45 0.00 0.00 0.45 0.00 0.00 32 L 7.22 4.20 0.00 1.59 1.54 0.57 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.80 4.10 0.00 3.04 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 34 R 7.93 4.67 0.00 1.63 1.73 0.00 3.28 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 35 S 8.15 4.48 0.00 4.02 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 36 Q 8.54 4.02 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 37 G 8.06 3.64 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 0.00 0.00 0.00 38 T 7.91 3.86 4.37 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 1.18 0.00 0.00 39 L 7.94 3.90 0.00 1.76 1.83 0.91 0.89 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 40 S 8.30 4.05 0.00 4.05 4.03 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 0.00 0.00 0.00 41 D 8.02 4.36 0.00 2.87 2.65 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 42 L 7.68 4.17 0.00 1.79 1.64 0.68 1.10 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 43 L 8.03 4.22 0.00 1.62 1.74 0.86 0.82 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 44 R 7.86 4.25 0.00 1.85 2.10 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 45 N 8.41 5.12 0.00 2.80 2.73 0.00 0.00 7.05 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 46 P 0.00 4.55 0.00 2.18 2.44 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 47 K 8.41 4.23 0.00 1.68 1.71 0.00 1.74 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 1.43 1.44 7.81 48 P 0.00 4.30 0.00 2.20 2.16 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 49 W 9.05 4.08 0.00 3.36 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 50 S 8.25 4.08 0.00 4.02 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 0.00 51 K 7.81 4.22 0.00 1.67 1.78 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.46 7.81 52 L 7.36 4.24 0.00 1.34 0.90 0.80 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.60 4.09 0.00 1.78 1.28 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.35 7.81 54 S 9.38 4.07 0.00 3.82 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 55 G 7.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.84 3.65 0.00 1.75 1.63 0.00 2.75 0.00 0.00 2.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 57 E 7.87 4.08 0.00 2.21 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 2.35 2.45 0.00 58 T 8.00 3.90 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 59 F 8.19 4.23 0.00 3.70 3.40 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 60 R 8.55 4.22 0.00 2.40 2.35 0.00 3.46 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 61 R 8.69 4.04 0.00 2.03 1.97 0.00 3.15 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.02 0.00 62 M 8.09 4.39 0.00 2.32 2.51 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.78 0.00 63 W 8.67 4.77 0.00 3.48 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 3.66 0.00 1.89 1.84 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.65 7.81 65 W 8.13 4.28 0.00 3.43 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 66 L 8.02 3.93 0.00 1.89 1.73 1.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.16 3.79 0.00 1.72 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 68 E 6.73 3.97 0.00 1.61 1.55 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 2.16 2.23 0.00 69 P 0.00 4.32 0.00 2.38 2.21 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.05 0.00 70 E 9.00 3.69 0.00 2.06 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 2.48 2.50 0.00 71 F 8.34 4.23 0.00 3.28 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 72 Q 6.64 3.28 0.00 1.02 1.66 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 2.05 1.80 0.00 73 R 7.33 3.47 0.00 1.58 1.44 0.00 2.52 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 74 M 7.88 4.33 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.92 0.00 75 S 8.11 4.18 0.00 4.11 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 0.00 76 A 8.23 4.01 1.54 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 77 L 7.51 4.23 0.00 1.81 1.78 1.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.12 4.02 0.00 1.94 2.00 0.00 3.30 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 79 L 7.41 4.41 0.00 1.56 1.55 0.93 1.00 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 *100 P 0.00 4.20 0.00 2.05 2.13 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 101 R 7.92 3.21 0.00 1.83 1.91 0.00 3.17 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 102 L 8.19 4.11 0.00 1.54 1.43 0.93 0.44 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 0.00 103 V 7.85 4.26 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 0.80 0.00 0.00 0.90 0.00 0.00 104 F 8.25 4.79 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.70 4.31 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 1.29 0.00 0.00 106 D 8.54 4.31 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 0.00 107 V 7.69 3.52 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 1.03 0.00 0.00 0.91 0.00 0.00 108 Q 7.97 3.77 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 109 R 8.01 3.47 0.00 1.88 1.96 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.56 0.00 110 R 8.19 3.84 0.00 1.87 1.92 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 111 T 7.90 3.80 4.12 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 1.16 0.00 0.00 112 L 7.71 3.63 0.00 0.66 0.13 -0.46 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.15 4.31 0.00 3.47 3.42 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 0.00 114 A 8.24 4.05 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 0.00 115 I 8.05 3.88 2.29 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 1.16 0.00 0.00 116 F 8.41 4.66 0.00 3.38 3.44 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 0.00 117 K 8.21 4.00 0.00 1.97 2.05 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.44 7.81 118 E 7.65 4.43 0.00 2.07 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 2.21 2.56 0.00 119 N 7.84 4.73 0.00 2.65 2.73 0.00 0.00 7.17 6.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.28 3.99 0.00 1.71 1.78 0.00 0.73 0.00 0.00 0.69 0.00 0.00 2.47 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.19 1.20 7.81 121 R 7.43 4.59 0.00 1.70 1.79 0.00 3.17 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 122 P 0.00 4.23 0.00 1.82 1.57 0.00 3.36 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 123 S 8.22 4.34 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.40 3.87 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.50 7.81 125 E 8.09 3.89 0.00 2.10 1.91 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 2.37 2.42 0.00 126 L 7.89 3.97 0.00 1.77 1.83 0.91 0.76 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 0.00 127 Q 8.23 4.00 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 128 I 8.06 3.84 2.04 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 1.53 1.07 0.92 0.00 0.00 129 T 7.98 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 130 I 8.08 3.73 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 0.97 0.00 0.00 131 S 8.37 4.16 0.00 4.36 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 0.00 132 Q 8.26 3.97 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 133 Q 8.34 4.12 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 134 L 8.03 4.45 0.00 1.65 1.64 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.75 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 0.00 136 L 7.88 4.90 0.00 1.63 1.63 0.85 1.35 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 0.00 137 E 8.44 4.24 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 138 L 8.55 4.02 0.00 1.74 1.71 0.95 0.90 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 0.00 139 S 8.15 4.17 0.00 4.12 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 0.00 140 T 7.85 3.97 4.53 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 1.49 0.00 0.00 141 V 7.89 3.77 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 1.29 0.00 0.00 1.06 0.00 0.00 142 S 8.47 4.48 0.00 4.08 4.07 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 0.00 143 N 8.74 4.38 0.00 3.04 2.91 0.00 0.00 6.68 7.78 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 0.00 144 F 8.46 4.02 0.00 3.21 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 0.00 145 F 8.04 3.72 0.00 3.25 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 M 8.25 4.12 0.00 2.08 2.23 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 2.91 2.64 0.00 147 N 8.58 4.26 0.00 2.67 2.70 0.00 0.00 6.91 7.12 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 0.00 148 A 7.60 3.36 -0.54 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 0.00 149 R 7.60 4.08 0.00 1.85 2.08 0.00 3.26 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 150 R 7.62 4.06 0.00 1.75 2.11 0.00 3.21 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 151 R 7.59 4.51 0.00 1.76 1.87 0.00 3.19 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 152 S 8.39 4.25 0.00 4.23 4.34 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 0.00 153 L 6.86 3.14 0.00 1.79 1.72 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 154 D 7.76 4.37 0.00 2.61 2.54 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 0.00 155 K 8.88 4.23 0.00 2.10 1.81 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.63 7.81 * Residues marked with a * may have inaccurate shift predictions.