NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2783 8.2993 119.9991 56.4697 34.4160 175.1358 5 T 4.5131 7.8278 110.3250 59.4699 72.7259 173.1958 6 I 3.7301 8.3286 121.8723 64.5226 37.4058 179.5293 7 E 4.0437 8.1478 119.7149 59.2491 29.5391 178.4552 8 D 4.4116 8.0825 119.2514 57.1734 40.7621 178.8617 9 V 3.6431 7.8263 118.9317 65.8474 31.5286 177.8380 10 F 4.1588 8.5220 120.5367 61.4913 39.1879 177.1532 11 I 3.6520 8.1893 119.5156 64.4809 36.8678 177.8845 12 H 4.0623 8.3065 119.0180 59.4016 29.7624 177.4204 13 L 3.8674 8.1670 121.1018 57.5026 41.3355 179.2781 14 L 3.7038 7.9427 120.8382 58.0685 41.9589 179.1994 15 S 4.0394 8.1697 115.4695 61.4519 62.6242 176.2025 16 D 4.2623 7.9191 120.7280 57.7730 40.9946 178.5211 17 T 3.7841 7.9082 116.2072 66.4435 68.3095 176.1086 18 Y 3.9598 8.1894 121.8096 60.6444 38.7524 178.0856 19 S 4.1050 8.2274 113.7477 61.3339 62.4703 175.6961 20 A 4.0091 8.2152 123.6749 55.4097 18.2035 179.4580 21 E 3.8585 8.5108 117.1682 59.5420 29.2921 179.6430 22 K 3.7712 7.8434 118.3808 59.6191 32.2030 179.3872 23 Q 4.0352 8.3171 118.4506 58.9199 28.5887 178.6216 24 L 3.9939 8.1200 121.6232 58.0230 41.8561 179.1051 25 T 3.7553 7.6147 109.9401 64.7373 68.7059 176.8081 26 R 3.8565 7.5063 120.8521 58.8375 30.0749 178.7476 27 A 3.9343 7.7416 120.0863 55.3106 18.3743 179.7504 28 L 3.7642 8.2410 117.5017 57.6251 41.3945 179.5975 29 A 4.0096 7.5079 120.3096 55.0138 18.4799 179.3252 30 K 4.0122 7.8816 117.7153 59.5376 32.2846 179.0901 31 L 3.7254 8.0847 119.5083 57.6247 41.1392 179.3470 32 A 4.2684 7.8161 119.7309 54.9030 18.3718 179.1702 33 R 4.2278 7.6542 114.6655 57.6814 30.6387 178.0944 34 A 4.1864 7.5890 118.9804 52.7281 19.1040 177.0406 35 T 4.5416 7.3375 111.6113 60.4500 68.9799 174.7185 36 S 4.2323 8.5365 121.7251 60.4840 63.9020 174.3364 37 N 4.5242 8.1020 120.5087 52.6584 39.1977 174.8244 38 E 3.9280 8.8261 129.3634 59.5133 29.7856 178.7985 39 K 3.9627 8.0701 118.0132 59.2006 32.0952 178.9912 40 L 3.7334 8.3515 120.8542 57.9321 41.9600 178.9183 41 S 4.2664 8.2721 113.2636 61.6765 62.2827 176.2588 42 Q 4.0413 8.3971 120.6288 58.7108 28.3740 178.5797 43 A 3.9466 7.9727 121.9841 55.2035 18.4109 179.7509 44 F 4.5131 8.3390 116.6617 61.0225 38.9695 177.4897 45 H 4.2176 8.7103 117.8617 59.1006 29.6395 177.2014 46 A 4.0169 8.4582 123.0736 55.5365 18.1944 179.1691 47 H 4.2472 8.4117 116.6779 58.8853 29.7091 177.3033 48 L 3.8563 7.8807 122.5114 58.1911 42.0865 178.7247 49 E 3.9955 8.0883 118.4347 59.5232 29.4402 179.0321 50 E 3.9805 8.3984 119.2754 59.6220 29.5764 179.0357 51 T 4.1299 7.9226 117.3435 66.3814 68.4551 176.4015 52 H 4.2517 8.0596 118.4623 58.6616 28.5932 178.1104 53 G 3.6591 7.9647 107.1947 47.6686 0.0000 175.8290 54 Q 4.0795 8.1425 120.3438 58.6281 28.7815 178.5926 55 I 3.7193 7.8615 121.1609 64.3231 37.1493 178.0261 56 E 4.1860 8.2919 120.1943 59.2938 29.3696 178.8955 57 R 4.1368 7.8265 118.6648 59.3822 30.0920 178.5813 58 I 3.8530 7.8437 119.8259 64.4254 37.0759 178.0853 59 D 4.4301 8.2812 119.8490 57.5659 40.4211 178.8979 60 Q 4.2316 8.0270 117.6763 58.5745 28.8426 178.6681 61 V 3.7650 7.9147 119.6901 66.0447 31.3544 178.2160 62 V 3.6276 7.9932 118.3423 65.9529 31.1324 177.6759 63 E 4.1659 8.0881 116.3401 58.6435 29.6912 178.4022 64 S 4.6027 7.5162 113.2434 58.7990 63.5333 174.1739 65 E 4.2821 7.8086 122.3620 55.0071 31.4500 175.5127 66 S 4.0889 8.7981 120.4103 61.2316 62.8248 175.9803 67 N 4.4853 7.9872 116.7931 54.7841 37.6252 175.4014 68 L 4.3020 7.8934 119.1375 54.7741 42.2716 175.8465 69 K 4.2825 7.9024 117.0714 56.5609 34.5465 174.5754 70 I 4.1427 8.0492 120.8953 59.3602 38.2450 175.4531 71 K 4.2740 8.6712 127.8532 55.0796 33.0160 176.6725 72 R 3.9042 8.1777 124.7783 55.8680 30.7157 176.0645 *74 K 3.8688 8.3390 121.8110 56.3042 32.8639 174.8551 75 C 4.4917 8.7088 127.5916 58.3703 30.8436 173.1766 76 V 3.6623 8.3608 128.4243 65.7676 31.6637 178.6147 77 A 4.0328 7.8470 120.8218 52.4836 17.9030 178.8728 *79 E 4.1943 8.4835 120.1715 58.0227 31.5325 178.7756 80 G 3.5702 7.7217 105.2943 47.8700 0.0000 175.7525 81 L 3.9750 7.7360 121.4398 57.5138 41.4905 179.7045 82 I 3.4897 7.6088 119.3708 64.1707 36.9918 177.8986 83 E 3.9775 8.1654 120.2660 58.9774 29.3697 178.6819 84 E 3.9154 7.9407 118.8482 59.2566 29.5007 179.1025 85 A 3.9972 7.5689 120.5230 55.0615 18.4232 179.3583 86 N 4.2282 7.8415 114.8223 56.5842 38.4391 177.2409 87 E 4.0949 8.1822 119.5130 59.0823 29.9444 178.7454 88 V 3.7257 7.7084 118.3953 66.1042 31.4295 177.9294 89 I 3.7079 7.5604 118.0877 64.6002 37.0855 177.8691 90 E 4.2714 8.1737 117.2489 57.5708 29.3531 177.6020 91 S 4.8075 7.6598 113.4011 57.5488 63.4277 173.6914 92 T 4.6155 7.5218 108.5840 60.8152 71.3105 172.6798 93 E 4.3220 8.3778 123.5499 55.1884 30.8596 177.2269 94 K 4.3684 7.5566 122.5056 55.0918 30.6780 175.6125 95 N 4.9003 7.5553 119.1567 50.4569 40.0604 175.3967 96 E 4.1047 8.7859 114.8019 59.3966 29.5928 178.9272 97 V 3.5716 7.9450 120.1209 65.8740 31.6269 177.8289 98 R 3.8762 8.1261 117.9843 59.4818 29.9989 177.8865 99 D 4.3821 8.1458 118.4386 57.4791 40.9228 178.6905 100 A 3.9764 8.1745 120.8706 55.2907 18.3007 179.6115 101 A 4.0214 8.0857 119.2327 55.2023 18.4516 179.9107 102 L 4.0211 8.6184 118.0185 57.9846 41.7021 179.7785 103 I 3.9172 8.1680 119.8391 64.0789 36.8371 178.3868 104 A 4.2668 8.2419 122.4827 54.6194 18.3886 179.5536 105 A 3.9551 8.3937 119.4285 55.3011 18.3929 179.7614 106 A 4.1169 8.8156 119.5628 55.3662 18.5018 179.8999 107 Q 4.0083 8.2258 116.7506 58.7812 28.6946 178.9978 108 K 4.1310 7.8249 119.8610 59.3969 32.0970 179.4867 109 V 3.6835 7.7567 118.1437 66.1829 31.4020 177.9708 110 E 4.0772 8.5124 118.5321 59.4272 29.2440 178.6853 111 H 4.1004 8.6514 118.7353 59.4851 29.9768 176.5289 112 Y 4.1502 8.1672 121.1111 60.9896 38.6842 178.0515 113 E 3.9221 8.5420 119.4100 59.4081 29.5756 179.4727 114 I 3.7906 8.2661 120.0852 64.3601 37.2021 178.3733 115 A 3.9664 7.9491 121.6395 55.1079 18.1220 179.9064 116 S 3.7949 7.8631 113.6372 62.0102 62.8396 176.6296 117 Y 4.1812 8.1263 119.3559 60.5736 37.5314 178.5880 118 G 3.6228 8.2823 107.1101 48.1101 0.0000 176.0016 119 T 3.9311 7.8664 118.3354 66.3307 68.3736 176.9035 120 L 4.1571 8.1808 120.8118 57.6208 41.6186 179.4717 121 A 4.1088 8.3785 120.8879 55.5573 18.3231 179.8501 122 T 4.6697 7.8814 115.6026 66.3267 68.5282 176.9418 123 L 3.9309 8.1564 120.6436 57.7570 41.6731 179.3030 124 A 3.5722 8.3753 121.2121 55.1243 18.2208 179.5582 125 E 3.9097 8.2990 116.0096 59.5743 29.5551 179.2686 126 Q 4.0192 7.9976 117.9579 57.9371 28.8614 177.6520 127 L 3.9733 7.4469 118.5964 54.7891 41.7788 177.8092 128 G 3.8741 7.3373 106.4990 46.1347 0.0000 175.0690 129 Y 4.8057 7.5810 119.8373 56.3828 35.6533 175.8017 130 R 3.8856 8.1017 123.9915 59.1600 30.6393 177.4495 131 K 3.9309 8.0484 118.5673 59.4397 32.3111 178.3136 132 A 4.0324 8.0733 120.3287 55.1070 18.3049 179.0129 133 A 4.0091 8.2675 119.3651 55.5099 18.4553 179.9143 134 K 3.8962 7.9254 116.2661 59.7256 32.2065 179.6157 135 L 4.0162 8.1868 119.1928 57.8612 41.4892 179.6130 136 L 4.1380 8.5445 119.3624 57.7630 41.4933 179.7678 137 K 4.0083 8.3836 118.6641 59.2922 32.0397 179.2582 138 E 3.9288 8.1003 119.0514 59.7677 29.3285 179.5869 139 T 3.7120 7.7091 115.6299 66.2550 68.4358 176.4904 140 L 3.8255 7.8933 122.4969 58.3610 42.0666 179.0388 141 E 3.9983 8.3563 118.4959 59.3256 29.2893 179.1711 142 E 3.9813 7.9301 118.3297 59.3763 29.3995 179.2332 143 E 3.9732 8.3800 118.8640 59.0904 29.4096 179.5209 144 K 3.9489 8.0535 118.4401 59.3095 32.1156 179.2396 145 A 3.9496 8.0663 120.9960 55.4384 18.4166 179.6869 146 T 3.7347 8.0430 114.4358 66.8255 68.5045 176.2956 147 D 4.2954 8.3631 120.0602 57.4637 41.2625 178.2292 148 I 3.6901 7.9385 120.4803 64.3255 37.0345 178.3045 149 K 3.9044 8.1892 120.4192 59.3711 31.9951 178.9024 150 L 3.8817 7.7296 119.0663 57.9701 41.5600 179.4335 151 T 3.8391 7.8302 115.6409 67.0049 68.4474 176.4215 152 D 4.3783 8.2513 120.5996 57.2005 40.5449 178.8973 153 L 3.9355 7.8304 118.8001 57.5572 41.6721 178.9103 154 A 4.1262 8.1344 120.1201 55.2220 18.3874 179.4386 155 I 3.7804 7.6434 116.9073 63.9724 38.3536 178.1174 156 N 4.8589 7.7539 116.6996 52.0445 36.2689 174.7442 157 N 4.5047 7.5323 122.4077 53.9086 39.4030 173.4294 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 4 K 8.30 4.28 0.00 1.88 1.97 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 5 T 7.83 4.51 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 1.22 0.00 0.00 6 I 8.33 3.73 1.82 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 1.49 0.41 0.85 0.00 0.00 7 E 8.15 4.04 0.00 2.08 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 2.56 2.65 0.00 8 D 8.08 4.41 0.00 3.05 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.83 3.64 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 1.13 0.00 0.00 1.00 0.00 0.00 10 F 8.52 4.16 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.19 3.65 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.95 0.00 0.00 12 H 8.31 4.06 0.00 3.32 3.56 0.00 5.78 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 13 L 8.17 3.87 0.00 1.57 1.55 0.93 0.49 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 14 L 7.94 3.70 0.00 1.11 1.46 0.79 0.76 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 15 S 8.17 4.04 0.00 3.98 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 16 D 7.92 4.26 0.00 2.73 2.66 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 0.00 0.00 0.00 17 T 7.91 3.78 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 0.78 0.00 0.00 18 Y 8.19 3.96 0.00 3.15 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 19 S 8.23 4.11 0.00 4.03 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 20 A 8.22 4.01 1.50 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 21 E 8.51 3.86 0.00 1.95 1.92 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 2.56 2.56 0.00 22 K 7.84 3.77 0.00 1.83 1.77 0.00 1.51 0.00 0.00 1.31 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.01 1.28 7.81 23 Q 8.32 4.04 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 24 L 8.12 3.99 0.00 1.91 1.75 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.61 3.76 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 0.98 0.00 0.00 26 R 7.51 3.86 0.00 2.01 1.98 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 27 A 7.74 3.93 1.25 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 0.00 0.00 28 L 8.24 3.76 0.00 1.68 1.87 0.82 0.91 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 29 A 7.51 4.01 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 30 K 7.88 4.01 0.00 1.82 1.90 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 31 L 8.08 3.73 0.00 1.04 0.13 0.39 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.82 4.27 1.49 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 0.00 0.00 33 R 7.65 4.23 0.00 1.74 2.00 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 34 A 7.59 4.19 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 35 T 7.34 4.54 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 1.45 0.00 0.00 36 S 8.54 4.23 0.00 4.03 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 37 N 8.10 4.52 0.00 3.04 2.75 0.00 0.00 6.68 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.83 3.93 0.00 2.12 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 0.00 2.38 2.47 0.00 39 K 8.07 3.96 0.00 1.97 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.47 7.81 40 L 8.35 3.73 0.00 1.65 1.75 0.23 0.74 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 41 S 8.27 4.27 0.00 4.00 4.05 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 42 Q 8.40 4.04 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.72 0.00 43 A 7.97 3.95 1.19 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 0.00 0.00 44 F 8.34 4.51 0.00 3.27 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.71 4.22 0.00 3.36 3.35 0.00 5.59 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 46 A 8.46 4.02 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 47 H 8.41 4.25 0.00 3.40 3.57 0.00 5.79 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.88 3.86 0.00 1.80 1.74 0.91 0.91 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 49 E 8.09 4.00 0.00 2.18 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 2.29 2.35 0.00 50 E 8.40 3.98 0.00 2.12 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 2.32 2.36 0.00 51 T 7.92 4.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 52 H 8.06 4.25 0.00 3.31 3.31 0.00 5.62 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 53 G 7.96 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.14 4.08 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 55 I 7.86 3.72 1.94 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.95 0.68 0.00 0.00 56 E 8.29 4.19 0.00 2.08 2.20 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 2.33 2.34 0.00 57 R 7.83 4.14 0.00 2.06 2.07 0.00 3.11 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 58 I 7.84 3.85 2.24 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 1.68 0.73 1.08 0.00 0.00 59 D 8.28 4.43 0.00 2.99 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 60 Q 8.03 4.23 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 61 V 7.91 3.77 2.35 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 1.21 0.00 0.00 1.11 0.00 0.00 62 V 7.99 3.63 2.21 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 0.97 0.00 0.00 0.97 0.00 0.00 63 E 8.09 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 2.55 2.38 0.00 64 S 7.52 4.60 0.00 3.98 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 0.00 65 E 7.81 4.28 0.00 1.59 1.61 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 1.76 1.47 0.00 66 S 8.80 4.09 0.00 3.95 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 67 N 7.99 4.49 0.00 2.96 3.01 0.00 0.00 6.06 7.79 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 68 L 7.89 4.30 0.00 1.87 1.69 0.96 1.11 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 69 K 7.90 4.28 0.00 1.76 1.71 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.36 7.81 70 I 8.05 4.14 1.48 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.34 0.18 0.00 0.00 71 K 8.67 4.27 0.00 1.63 1.66 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.38 7.81 72 R 8.18 3.90 0.00 1.83 1.85 0.00 3.29 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 *74 K 8.34 3.87 0.00 1.75 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 75 C 8.71 4.49 0.00 3.15 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 76 V 8.36 3.66 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 0.90 0.00 0.00 0.98 0.00 0.00 77 A 7.85 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 E 8.48 4.19 0.00 2.23 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 2.27 2.54 0.00 80 G 7.72 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 0.00 0.00 0.00 81 L 7.74 3.98 0.00 1.61 1.67 0.66 0.79 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 82 I 7.61 3.49 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 1.47 1.36 0.86 0.00 0.00 83 E 8.17 3.98 0.00 2.12 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 2.28 2.32 0.00 84 E 7.94 3.92 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 85 A 7.57 4.00 1.25 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 0.00 0.00 86 N 7.84 4.23 0.00 2.93 2.86 0.00 0.00 6.65 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.18 4.09 0.00 1.91 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 2.31 2.35 0.00 88 V 7.71 3.73 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 0.99 0.00 0.00 0.99 0.00 0.00 89 I 7.56 3.71 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 0.90 0.00 0.00 90 E 8.17 4.27 0.00 2.07 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 2.33 2.42 0.00 91 S 7.66 4.81 0.00 3.95 3.89 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 0.00 0.00 0.00 92 T 7.52 4.62 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 93 E 8.38 4.32 0.00 1.95 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 2.27 2.23 0.00 94 K 7.56 4.37 0.00 1.83 1.73 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 95 N 7.56 4.90 0.00 2.93 3.05 0.00 0.00 5.87 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.79 4.10 0.00 2.19 2.26 0.00 0.00 0.00 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 2.31 0.00 97 V 7.95 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 98 R 8.13 3.88 0.00 2.11 2.13 0.00 3.34 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 99 D 8.15 4.38 0.00 2.94 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 0.00 100 A 8.17 3.98 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 0.00 101 A 8.09 4.02 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 0.00 102 L 8.62 4.02 0.00 1.96 1.99 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.17 3.92 2.02 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 1.38 1.09 0.95 0.00 0.00 104 A 8.24 4.27 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 0.00 105 A 8.39 3.96 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 0.00 106 A 8.82 4.12 1.62 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 0.00 0.00 107 Q 8.23 4.01 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 108 K 7.82 4.13 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.75 7.81 109 V 7.76 3.68 2.34 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 1.14 0.00 0.00 0.95 0.00 0.00 110 E 8.51 4.08 0.00 2.28 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 2.60 2.49 0.00 111 H 8.65 4.10 0.00 3.31 3.58 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.17 4.15 0.00 3.17 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 0.00 113 E 8.54 3.92 0.00 2.16 2.18 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 2.69 2.66 0.00 114 I 8.27 3.79 1.93 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 1.49 1.01 0.92 0.00 0.00 115 A 7.95 3.97 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 0.00 116 S 7.86 3.79 0.00 3.62 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 Y 8.13 4.18 0.00 3.13 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 0.00 118 G 8.28 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.87 3.93 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 1.21 0.00 0.00 120 L 8.18 4.16 0.00 1.74 1.84 0.54 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.38 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 4.67 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 1.21 0.00 0.00 123 L 8.16 3.93 0.00 2.14 1.84 1.07 0.53 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 0.00 124 A 8.38 3.57 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.30 3.91 0.00 2.20 2.22 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 2.51 2.33 0.00 126 Q 8.00 4.02 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 127 L 7.45 3.97 0.00 0.80 0.20 0.24 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.34 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 0.00 129 Y 7.58 4.81 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.10 3.89 0.00 1.90 1.95 0.00 3.19 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 131 K 8.05 3.93 0.00 1.87 1.79 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 132 A 8.07 4.03 1.45 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 0.00 0.00 133 A 8.27 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.93 3.90 0.00 2.00 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.64 7.81 135 L 8.19 4.02 0.00 1.88 1.76 0.96 0.57 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 0.00 136 L 8.54 4.14 0.00 1.92 1.94 1.31 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.38 4.01 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.68 7.81 138 E 8.10 3.93 0.00 2.17 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 2.32 2.61 0.00 139 T 7.71 3.71 3.74 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 0.17 0.00 0.00 140 L 7.89 3.83 0.00 1.83 1.85 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.36 4.00 0.00 2.14 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 2.42 2.48 0.00 142 E 7.93 3.98 0.00 2.13 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 2.29 2.55 0.00 143 E 8.38 3.97 0.00 2.10 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 2.39 2.56 0.00 144 K 8.05 3.95 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 145 A 8.07 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 0.00 146 T 8.04 3.73 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 147 D 8.36 4.30 0.00 2.94 2.76 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 0.00 148 I 7.94 3.69 2.00 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 1.60 0.68 0.90 0.00 0.00 149 K 8.19 3.90 0.00 1.91 1.97 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.45 7.81 150 L 7.73 3.88 0.00 1.91 1.66 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.83 3.84 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 152 D 8.25 4.38 0.00 2.69 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 0.00 153 L 7.83 3.94 0.00 1.82 1.65 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.13 4.13 1.35 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 0.00 0.00 155 I 7.64 3.78 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.90 0.00 0.00 156 N 7.75 4.86 0.00 2.69 2.78 0.00 0.00 6.80 8.05 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 0.00 157 N 7.53 4.50 0.00 2.91 2.70 0.00 0.00 7.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.