NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9552 8.3549 109.7364 45.4737 0.0000 172.5572 2 L 4.3222 7.9767 118.5316 51.1866 43.0648 176.0292 3 S 4.4748 9.5443 118.9131 57.9432 66.1339 174.9242 4 D 4.6542 8.7927 122.1353 57.6838 40.5478 179.4150 5 G 3.6643 8.0918 105.5704 47.8201 0.0000 175.4074 6 E 3.9238 8.3332 121.1552 58.9771 29.4529 179.4304 7 W 4.3971 8.2929 119.1897 59.9213 29.1037 178.3215 8 Q 4.0736 8.4323 119.4638 59.2830 28.4126 178.3630 9 Q 4.0431 8.2360 119.0945 58.8999 28.7355 178.7705 10 V 3.6912 8.1029 119.4568 66.3413 31.3943 178.0923 11 L 4.2573 8.1150 116.6870 57.0872 41.6380 178.7584 12 N 4.4931 8.4039 117.6914 56.6896 38.9754 176.8930 13 V 3.5875 8.1144 119.9086 65.9655 31.5546 177.7807 14 W 4.1762 8.6855 128.0627 60.1973 30.2319 177.9922 15 G 3.6619 7.9406 105.8079 47.6280 0.0000 175.8082 16 K 3.8486 7.6500 119.8522 59.2568 32.3316 179.2034 17 V 2.8095 7.0116 117.8551 65.7510 31.0977 177.7858 18 E 3.8424 7.5373 116.5435 58.8345 29.2625 178.8455 19 A 4.1897 7.3247 120.1717 53.9622 19.8194 177.6242 20 D 4.6890 7.8278 116.5365 52.1640 42.5157 175.4159 21 I 3.6331 7.8716 124.7112 63.9986 37.6055 177.5925 22 A 4.1576 7.4068 122.5669 54.4987 18.2921 179.7944 23 G 3.6441 8.2157 105.5637 47.7497 0.0000 175.7157 24 H 4.1453 8.3371 119.1014 58.3515 28.7130 178.1970 25 G 3.5232 8.3876 107.9330 47.6912 0.0000 175.3728 26 Q 3.8545 8.3022 122.6485 59.0952 29.0078 178.4684 27 E 3.8593 8.0834 119.4303 59.1565 29.3934 179.5580 28 V 3.5032 7.9183 118.4928 66.0584 31.5702 178.1707 29 L 3.4338 7.6934 118.6259 57.5629 41.2373 179.6092 30 I 3.6106 7.7588 120.0884 64.1500 37.0181 178.3902 31 R 3.7749 8.0614 119.7997 59.1936 29.8898 178.2403 32 L 3.9358 7.7825 120.0050 58.3854 41.9236 179.0849 33 F 4.5845 8.1392 118.3070 60.8007 38.6044 177.8972 34 T 4.0538 8.1635 109.0727 64.6585 68.8250 176.8463 35 G 3.6221 7.9634 107.5383 46.2939 0.0000 173.7649 36 H 4.7941 7.9682 117.6333 52.1299 29.7895 171.9480 37 P 4.5470 0.0000 0.0000 64.4375 31.3745 177.5707 38 E 4.1158 8.2447 116.3497 59.4008 29.5356 179.1210 39 T 3.8105 8.2790 111.4912 64.4732 68.8033 176.2892 40 L 3.5617 7.8414 123.0151 57.9475 41.7866 178.6991 41 E 4.1112 7.8561 117.3801 58.5563 29.4627 178.6829 42 K 4.4693 8.0637 117.1193 56.8713 32.7378 177.3403 43 F 4.6149 8.1387 119.1534 55.4466 39.6205 175.4975 44 D 4.3881 8.6758 124.8314 56.9194 40.8342 178.2128 45 K 4.2051 7.8006 115.0279 57.1969 33.2862 176.8281 46 F 5.0565 7.9648 117.5286 57.0935 40.5864 177.0758 47 K 3.8775 8.3225 120.2298 59.6346 31.8857 177.6277 48 H 4.3171 8.0988 112.2867 57.1015 28.8709 175.2641 49 L 4.0677 7.4683 120.6482 54.6883 40.5184 176.6981 50 K 4.3397 9.6743 124.8835 57.1524 33.1140 177.6488 51 T 4.7352 7.4588 108.4389 58.8973 73.2516 174.1688 52 E 3.9250 8.7003 121.6893 59.2013 29.6990 178.7832 53 A 3.9949 7.9630 120.5464 55.2611 18.2581 179.2843 54 E 3.9447 8.0540 115.3502 59.7096 30.0104 178.9400 55 M 4.1609 8.0330 118.6835 58.5244 31.8489 179.0538 56 K 3.9778 8.3498 117.3273 59.0667 32.3040 178.5558 57 A 4.4251 7.7475 118.6100 51.8747 18.8560 177.1479 58 S 4.3533 7.5334 113.6128 57.4882 62.6256 174.7090 59 E 4.0605 8.8168 128.6240 59.2992 29.2275 178.6476 60 D 4.4436 8.1695 117.9230 56.9587 41.2799 177.8862 61 L 3.7031 8.1285 121.2195 57.9009 42.0534 179.0186 62 K 3.8996 7.8048 118.5887 59.2399 31.9856 179.0345 63 K 3.9088 8.2704 119.9387 60.0372 32.0706 178.2808 64 H 4.4104 8.7971 118.7126 59.1395 29.7449 177.2603 65 G 3.6640 8.5053 108.0516 48.1826 0.0000 175.7249 66 T 3.8794 8.0890 118.0691 66.2916 68.4669 176.8468 67 V 3.7156 7.8155 120.1278 65.9585 31.5312 178.1900 68 V 3.5908 8.0427 118.1720 66.2699 31.4021 178.1245 69 L 4.2597 8.1950 118.5385 57.8151 41.4216 179.6928 70 T 3.9956 8.2896 116.0705 66.4457 68.3645 176.5411 71 A 3.9892 8.0794 122.7260 55.1195 18.4216 179.4095 72 L 3.7043 8.1554 119.0922 58.1155 42.1148 179.3835 73 G 3.1007 8.4932 106.1523 47.4748 0.0000 175.8363 74 G 3.6083 7.8232 107.1343 47.5093 0.0000 175.5646 75 I 3.8342 7.5725 122.1873 64.1900 37.1176 178.5399 76 L 3.9587 7.8550 120.1201 57.6719 41.1679 179.5701 77 K 3.9314 7.6723 116.7544 58.2740 32.2844 178.6603 78 K 3.9560 7.8524 118.3250 55.9105 32.5792 176.5661 79 K 2.0000 8.3415 118.2984 56.3445 29.7671 175.6282 80 G 3.9537 7.9017 106.2707 45.8236 0.0000 174.0173 81 H 4.5550 7.2852 118.9912 55.2442 27.3846 174.8361 82 H 5.4356 7.3431 110.8192 53.9502 29.8904 175.8602 83 E 3.9298 8.6401 122.3684 60.2951 29.0298 178.7131 84 A 3.9960 7.9209 118.5377 55.0320 17.4619 178.9259 85 E 4.1139 8.0991 116.8006 59.0722 29.7046 178.7179 86 L 4.2427 8.3430 120.6010 57.2966 42.2429 178.3056 87 K 3.8307 8.2352 120.1982 59.2856 32.0222 176.8488 88 P 4.2297 0.0000 0.0000 65.7256 31.1056 178.0521 89 L 3.9838 7.5289 117.3276 57.8853 42.0614 178.7429 90 A 4.0534 8.3000 121.0841 55.4603 18.2579 179.7122 91 Q 3.9474 8.4291 117.0301 58.9685 28.7340 179.0688 92 S 4.0016 8.3926 115.6669 61.7765 63.0484 176.3528 93 H 4.1429 8.5992 119.6389 58.1391 27.8700 177.7289 94 A 2.5800 7.8920 122.6782 54.9004 18.0366 179.7734 95 T 3.7197 7.4830 112.7663 65.6163 68.7714 176.8742 96 K 4.0390 7.4759 119.6936 59.1422 32.8781 177.7655 97 H 4.4431 7.8311 113.7458 55.1107 29.8331 175.1815 98 K 3.7073 7.5744 117.8640 56.5120 28.9445 176.6765 99 I 4.3236 7.9466 120.0880 58.8009 37.7679 174.9422 100 P 4.4848 0.0000 0.0000 62.3285 31.9173 177.3993 101 I 3.6313 8.5512 119.4735 64.0486 37.6849 177.8701 102 K 3.6019 8.0005 120.2312 59.9100 31.8144 178.0614 103 Y 4.1952 7.9561 116.6451 60.8094 37.7583 178.2263 104 L 4.1751 7.8462 119.8632 57.4120 41.7612 178.8228 105 E 3.9506 8.1175 119.4417 59.3143 29.5950 178.7191 106 F 4.5116 8.0813 117.9454 60.9932 39.0429 177.6455 107 I 3.8549 8.2304 117.9815 63.8717 37.7384 178.1320 108 S 4.2257 8.3193 116.3465 61.8131 62.7239 176.3275 109 D 4.4764 8.4587 121.3353 57.3416 40.4670 178.7239 110 A 4.0578 8.2839 121.3831 55.1538 18.3563 179.7265 111 I 3.6752 7.9688 118.2852 64.6278 37.3306 178.6805 112 I 3.8681 7.7052 120.1598 64.6449 36.8985 177.9265 113 H 4.1655 8.4724 119.0537 59.4320 29.6512 177.5091 114 V 3.5588 8.2346 120.3809 65.8021 31.3427 177.9228 115 L 3.8187 7.9493 118.8016 58.1735 41.1522 179.2887 116 H 4.3791 7.8984 114.5156 58.8674 28.6829 177.5578 117 S 4.1757 7.9961 114.4131 61.0793 62.3374 175.8081 118 K 4.1293 8.1060 119.6334 57.4710 33.2409 176.6048 119 H 4.9707 8.0009 116.3243 53.8158 29.4520 171.8761 120 P 4.5375 0.0000 0.0000 64.0824 32.0101 177.5294 121 G 3.9991 9.1395 110.2071 45.7423 0.0000 172.9817 122 D 4.9784 8.3741 118.0781 53.7016 41.7038 175.9552 123 F 4.9816 8.0612 119.9250 54.9809 39.4389 174.7088 124 G 3.8591 8.0604 113.0109 43.1718 0.0000 170.8406 125 A 3.9101 8.3209 121.4678 54.9625 18.2727 179.5442 126 D 4.2185 7.9838 117.0243 56.5311 39.4359 178.5480 127 A 3.9824 7.7959 121.8357 54.7953 18.4098 179.1539 128 Q 3.5660 7.9030 118.5860 58.9668 29.0496 178.5509 129 G 3.6225 8.0300 106.5035 47.8942 0.0000 175.4820 130 A 3.8715 8.0283 123.6342 54.9222 18.4030 179.3901 131 M 4.0485 8.3649 117.0063 59.0201 32.2108 178.5131 132 T 3.9019 8.2706 116.2135 66.6630 68.5874 176.6471 133 K 4.0217 8.0745 120.0652 59.4383 32.0416 179.2899 134 A 3.8402 7.9155 120.9788 55.1305 18.2319 179.7537 135 L 4.1073 8.2051 117.6246 57.8047 41.6574 179.5804 136 E 3.9885 8.5998 119.1484 59.1931 29.3286 179.0547 137 L 3.9706 8.1995 120.5813 58.0276 42.2078 178.5693 138 F 4.1582 8.3858 120.5681 61.5669 39.2509 177.0744 139 R 3.5382 8.2936 118.2262 59.3574 29.8874 178.0115 140 N 4.2488 8.6009 117.3024 56.7013 38.8178 176.7093 141 D 4.3570 8.3160 120.5867 57.1689 40.7906 178.7665 142 I 3.4400 7.5253 120.2161 64.1658 36.9313 178.1516 143 A 3.7564 7.9612 121.7005 55.1044 18.1190 179.5489 144 A 3.9321 7.9048 119.1264 55.2806 18.5800 180.0625 145 K 4.0115 7.8446 117.1754 59.7387 32.0559 179.1905 146 Y 4.3116 8.5098 117.5130 61.0786 37.8356 178.6187 147 K 3.9842 8.5021 120.7432 59.4848 32.0687 178.4520 148 E 3.9998 8.0331 117.9374 59.6226 29.5856 179.0054 149 L 4.2911 7.8549 115.7427 54.7767 41.8474 177.6462 150 G 3.8896 7.7920 106.6886 46.1885 0.0000 173.1687 151 F 4.5013 8.2560 121.8845 57.1577 40.1687 174.7693 152 Q 4.0509 7.2796 125.2487 56.6306 30.9920 175.7527 153 G 3.3203 6.5257 109.2723 46.0697 0.0000 172.9230 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 G 8.35 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 0.00 0.00 0.00 2 L 7.98 4.32 0.00 0.47 0.72 0.49 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.54 4.47 0.00 4.04 3.98 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 4 D 8.79 4.65 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.09 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 6 E 8.33 3.92 0.00 2.02 1.74 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 2.23 2.28 0.00 7 W 8.29 4.40 0.00 3.50 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 8 Q 8.43 4.07 0.00 2.21 2.32 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 2.41 2.46 0.00 9 Q 8.24 4.04 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 10 V 8.10 3.69 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 0.89 0.00 0.00 11 L 8.12 4.26 0.00 1.77 1.81 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.40 4.49 0.00 3.01 3.02 0.00 0.00 6.65 7.27 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 13 V 8.11 3.59 2.38 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 0.84 0.00 0.00 1.21 0.00 0.00 14 W 8.69 4.18 0.00 3.61 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 15 G 7.94 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 16 K 7.65 3.85 0.00 1.53 1.50 0.00 1.37 0.00 0.00 1.10 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.36 7.81 17 V 7.01 2.81 0.67 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 0.08 0.00 0.00 0.18 0.00 0.00 18 E 7.54 3.84 0.00 1.85 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 2.28 2.14 0.00 19 A 7.32 4.19 1.28 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 0.00 0.00 20 D 7.83 4.69 0.00 2.71 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 0.00 0.00 0.00 0.00 21 I 7.87 3.63 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.90 0.00 0.00 22 A 7.41 4.16 1.30 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 0.00 0.00 23 G 8.22 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 24 H 8.34 4.15 0.00 3.16 3.22 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 8.39 3.52 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 0.00 0.00 0.00 26 Q 8.30 3.85 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.08 3.86 0.00 1.97 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 2.25 2.38 0.00 28 V 7.92 3.50 2.15 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 1.01 0.00 0.00 0.96 0.00 0.00 29 L 7.69 3.43 0.00 1.47 0.77 0.79 0.40 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 30 I 7.76 3.61 1.77 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 1.35 0.69 0.87 0.00 0.00 31 R 8.06 3.77 0.00 1.93 2.07 0.00 3.03 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 32 L 7.78 3.94 0.00 1.78 1.46 1.07 0.96 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 33 F 8.14 4.58 0.00 2.97 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 34 T 8.16 4.05 4.21 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 1.24 0.00 0.00 35 G 7.96 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 36 H 7.97 4.79 0.00 3.07 2.99 0.00 5.64 0.00 0.00 0.00 0.00 6.88 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 4.55 0.00 2.15 2.11 0.00 3.84 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 2.09 1.99 0.00 38 E 8.24 4.12 0.00 2.30 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 2.22 2.56 0.00 39 T 8.28 3.81 4.45 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 0.77 0.00 0.00 40 L 7.84 3.56 0.00 1.46 1.71 -0.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.86 4.11 0.00 2.16 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 2.38 2.54 0.00 42 K 8.06 4.47 0.00 1.94 1.77 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.23 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.74 1.97 7.81 43 F 8.14 4.61 0.00 3.29 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 44 D 8.68 4.39 0.00 2.63 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 45 K 7.80 4.21 0.00 1.59 1.72 0.00 1.36 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.88 0.21 7.81 46 F 7.96 5.06 0.00 2.81 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 47 K 8.32 3.88 0.00 1.77 1.91 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.59 1.72 7.81 48 H 8.10 4.32 0.00 3.28 3.44 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 7.47 4.07 0.00 1.64 1.61 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.67 4.34 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.51 7.81 51 T 7.46 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 1.21 0.00 0.00 52 E 8.70 3.92 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 2.35 2.35 0.00 53 A 7.96 3.99 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 54 E 8.05 3.94 0.00 2.12 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 2.33 2.40 0.00 55 M 8.03 4.16 0.00 2.05 2.25 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 2.82 2.57 0.00 56 K 8.35 3.98 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.57 7.81 57 A 7.75 4.43 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 58 S 7.53 4.35 0.00 4.06 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 59 E 8.82 4.06 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 2.42 2.32 0.00 60 D 8.17 4.44 0.00 2.90 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 61 L 8.13 3.70 0.00 1.50 1.67 0.70 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.90 0.00 1.96 1.84 0.00 1.91 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 63 K 8.27 3.91 0.00 1.99 2.14 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.80 4.41 0.00 3.63 3.65 0.00 5.85 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 8.51 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 66 T 8.09 3.88 4.45 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 1.23 0.00 0.00 67 V 7.82 3.72 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 1.06 0.00 0.00 1.00 0.00 0.00 68 V 8.04 3.59 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 1.05 0.00 0.00 0.96 0.00 0.00 69 L 8.20 4.26 0.00 1.78 1.85 0.82 0.74 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 70 T 8.29 4.00 4.46 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 1.26 0.00 0.00 71 A 8.08 3.99 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 72 L 8.16 3.70 0.00 1.59 1.64 -0.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 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 0.00 0.00 0.00 74 G 7.82 3.61 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 0.00 0.00 0.00 75 I 7.57 3.83 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.93 0.00 0.00 76 L 7.85 3.96 0.00 1.20 1.51 0.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 3.93 0.00 1.62 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.46 7.81 78 K 7.85 3.96 0.00 1.88 1.80 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.74 7.81 79 K 8.34 2.00 0.00 1.18 0.74 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.64 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.41 0.73 7.81 80 G 7.90 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 81 H 7.29 4.55 0.00 3.18 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.34 5.44 0.00 3.26 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 3.93 0.00 2.12 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 2.47 0.00 84 A 7.92 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 85 E 8.10 4.11 0.00 2.24 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 2.42 0.00 86 L 8.34 4.24 0.00 1.68 1.72 0.75 0.31 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 87 K 8.24 3.83 0.00 2.05 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.23 0.00 2.32 2.31 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 89 L 7.53 3.98 0.00 1.81 1.90 1.04 1.10 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 90 A 8.30 4.05 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 91 Q 8.43 3.95 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 92 S 8.39 4.00 0.00 3.94 4.19 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 93 H 8.60 4.14 0.00 3.49 3.56 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 7.89 2.58 0.33 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 95 T 7.48 3.72 4.16 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 1.11 0.00 0.00 96 K 7.48 4.04 0.00 1.56 1.60 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.41 7.81 97 H 7.83 4.44 0.00 3.16 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.57 3.71 0.00 1.95 2.00 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.35 7.81 99 I 7.95 4.32 2.09 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 1.56 0.98 1.19 0.00 0.00 100 P 0.00 4.48 0.00 1.86 2.00 0.00 3.01 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 101 I 8.55 3.63 1.90 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.08 0.89 0.00 0.00 102 K 8.00 3.60 0.00 1.74 1.60 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 0.58 7.81 103 Y 7.96 4.20 0.00 3.21 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 0.00 104 L 7.85 4.18 0.00 1.83 1.71 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.12 3.95 0.00 1.99 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 2.39 2.39 0.00 106 F 8.08 4.51 0.00 3.26 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 0.00 107 I 8.23 3.85 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 1.60 1.40 1.12 0.00 0.00 108 S 8.32 4.23 0.00 4.20 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 0.00 109 D 8.46 4.48 0.00 2.99 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 0.00 110 A 8.28 4.06 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 0.00 111 I 7.97 3.68 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 0.99 0.00 0.00 112 I 7.71 3.87 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 1.15 0.00 0.00 113 H 8.47 4.17 0.00 3.32 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.23 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 7.95 3.82 0.00 1.30 0.51 0.50 0.62 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 0.00 116 H 7.90 4.38 0.00 3.36 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.00 4.18 0.00 3.79 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 0.00 118 K 8.11 4.13 0.00 1.54 1.46 0.00 1.55 0.00 0.00 1.26 0.00 0.00 2.52 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.26 1.42 7.81 119 H 8.00 4.97 0.00 3.23 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.54 0.00 2.19 2.08 0.00 3.87 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 1.99 1.95 0.00 121 G 9.14 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 0.00 0.00 0.00 122 D 8.37 4.98 0.00 2.62 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 0.00 123 F 8.06 4.98 0.00 2.77 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 0.00 124 G 8.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.32 3.91 1.26 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 0.00 0.00 0.00 126 D 7.98 4.22 0.00 2.93 2.91 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 0.00 127 A 7.80 3.98 1.40 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 0.00 0.00 128 Q 7.90 3.57 0.00 1.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 129 G 8.03 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 0.00 130 A 8.03 3.87 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 8.36 4.05 0.00 2.41 2.31 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 132 T 8.27 3.90 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 1.23 0.00 0.00 133 K 8.07 4.02 0.00 1.80 1.67 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 7.92 3.84 1.29 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 0.00 0.00 0.00 135 L 8.21 4.11 0.00 1.89 1.83 1.05 0.73 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 0.00 136 E 8.60 3.99 0.00 2.14 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 2.35 2.48 0.00 137 L 8.20 3.97 0.00 1.86 1.96 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.16 0.00 3.11 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 0.00 139 R 8.29 3.54 0.00 2.06 2.06 0.00 3.19 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 140 N 8.60 4.25 0.00 2.86 2.78 0.00 0.00 7.25 8.32 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 0.00 141 D 8.32 4.36 0.00 2.77 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 0.00 142 I 7.53 3.44 1.49 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.23 0.14 0.00 0.00 143 A 7.96 3.76 1.28 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 0.00 0.00 144 A 7.90 3.93 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 0.00 145 K 7.84 4.01 0.00 1.94 1.94 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.51 4.31 0.00 3.14 3.08 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 0.00 147 K 8.50 3.98 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 8.03 4.00 0.00 2.22 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 2.37 2.59 0.00 149 L 7.85 4.29 0.00 1.82 1.71 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.79 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 0.00 0.00 0.00 151 F 8.26 4.50 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 0.00 152 Q 7.28 4.05 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 153 G 6.53 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 0.00 0.00 0.00