NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3095 0.0000 0.0000 62.3774 32.0545 176.9558 3 K 3.9356 8.5810 116.3442 55.6126 31.2214 174.5936 4 K 3.8541 8.7520 125.7475 57.0954 33.6449 174.6683 5 V 5.0510 8.3778 125.4523 61.1308 34.5030 174.3192 6 L 4.7989 9.1729 127.1526 53.1599 45.3557 175.9234 7 T 4.5958 8.5748 113.5429 60.3016 69.0113 173.1981 8 G 4.2942 8.4517 116.3176 44.8075 0.0000 169.0270 9 V 4.7767 8.2784 112.2483 58.9493 34.9242 176.0034 10 V 4.1581 8.3877 125.4042 63.3693 31.9347 176.3472 11 V 4.2594 8.3704 126.5693 61.3750 32.8704 175.8183 12 S 4.5173 7.5368 116.0444 57.2406 65.6221 174.2790 13 D 5.1766 8.6264 129.0618 53.3587 39.6800 176.0303 14 K 4.4413 8.3042 116.1073 57.5117 32.3195 175.9266 15 M 4.7302 7.6258 117.9580 53.2318 34.8531 175.0968 16 Q 4.1687 8.4407 118.7401 56.0292 29.0249 176.5358 17 K 4.1777 8.9204 120.7209 57.1982 30.0325 174.6675 18 T 5.2681 7.5158 113.2186 61.9455 72.0771 174.0320 19 V 4.6565 8.4036 117.2090 60.1161 36.2370 174.8655 20 T 4.7683 8.9921 122.5437 63.3263 70.1508 174.0534 21 V 4.8044 8.8032 124.5116 61.2777 35.2043 173.8490 22 L 4.9616 8.8498 130.0376 54.3229 44.1803 175.9097 23 V 4.5342 8.2397 117.2977 59.9275 35.4792 174.1046 24 E 4.7945 8.8899 126.2253 55.1874 30.6309 176.1048 25 R 4.7916 9.0656 121.6608 54.3541 32.0535 174.6927 26 Q 5.0939 8.6347 121.9054 54.8964 31.1318 174.5494 27 F 4.8695 8.1429 113.4922 55.3901 41.6288 171.4322 28 P 4.7308 0.0000 0.0000 62.6953 32.0609 175.9267 29 H 4.2823 8.9493 124.8415 55.5892 30.2503 174.4249 30 P 4.3296 0.0000 0.0000 65.0934 31.1325 176.6296 31 L 4.3807 8.1877 117.6702 55.5232 44.2535 176.1319 32 Y 4.5417 7.9145 113.2995 56.8224 38.6371 176.3142 33 G 4.0871 8.2595 107.2793 45.9331 0.0000 173.6742 34 K 4.0902 7.6876 120.6876 55.8299 33.4619 177.1309 35 V 4.7397 8.2233 127.1187 62.8175 29.2159 175.2831 36 I 4.0512 8.0627 118.5983 59.8452 39.7300 175.4039 37 K 4.9668 8.3398 123.7458 55.0244 34.7447 175.0766 38 R 4.9846 8.5065 125.7854 55.0728 34.9252 173.5271 39 S 5.1911 8.2489 112.7535 59.4919 65.4351 173.2733 40 K 4.5783 8.4769 118.2226 55.7616 35.3231 174.1570 41 K 4.9089 8.5252 123.9055 55.2649 33.7852 175.5304 42 Y 4.6045 8.9874 121.3837 56.0804 41.9186 174.5850 43 L 5.0144 8.6113 122.1107 53.3922 43.3616 176.0520 44 A 4.8610 9.1352 126.6583 50.9147 22.2293 175.0926 45 H 4.8208 8.5364 119.0790 54.9356 31.7135 172.6789 46 D 5.2379 8.8451 127.8973 51.1180 40.7753 174.3845 47 P 4.3159 0.0000 0.0000 64.3882 32.0747 177.9113 48 E 4.2223 8.1992 118.2828 56.0001 30.2465 177.3692 49 E 3.9116 8.4016 115.8638 56.4869 27.7909 175.5007 50 K 3.9573 7.5075 118.6425 59.4588 32.7534 177.0410 51 Y 4.2401 8.1557 118.4581 57.1231 38.2059 175.2335 52 K 4.5710 8.4241 125.0801 54.7393 35.4669 175.5606 53 L 3.9654 8.2072 119.7130 56.5261 42.3753 178.4860 54 G 3.9094 8.8671 111.8769 45.8762 0.0000 173.4920 55 D 4.6747 7.6824 120.5983 53.7512 41.7104 176.0417 56 V 4.0453 8.2688 125.6749 63.4254 32.6910 175.4807 57 V 5.2180 8.6522 120.2584 58.9354 36.6422 173.8117 58 E 5.1147 8.5266 119.2061 54.9788 32.8265 175.6149 59 I 4.9892 8.6997 122.8012 59.5439 41.3697 174.1480 60 I 4.9991 8.4862 126.0964 58.6388 41.0312 173.6897 61 E 2.8379 9.2538 130.3977 57.0567 29.9096 175.7129 62 S 4.7425 7.6835 122.5978 56.0894 67.1914 173.9448 63 R 3.8177 8.4644 120.3188 55.8595 30.1610 174.2051 64 P 4.2998 0.0000 0.0000 63.5749 31.4908 175.9177 65 I 4.0209 8.4247 125.2303 62.8733 37.7386 176.2559 66 S 4.6650 7.3533 111.5673 56.0816 65.4486 172.1924 67 K 3.3110 8.1810 117.2906 60.4510 32.4591 177.2210 68 R 4.2799 7.6916 122.7092 54.1068 29.7061 178.2975 69 K 4.4361 7.2973 120.3767 56.2832 33.9274 174.9533 70 R 5.0539 8.6275 128.7242 55.6460 31.4973 174.8457 71 F 5.2463 8.3967 115.1126 56.1657 44.1154 174.0985 72 R 4.8334 8.5813 118.8301 54.2390 34.5492 175.2938 73 V 3.6974 7.8164 120.9572 63.2314 32.1296 173.9493 74 L 4.7882 8.1336 122.4377 54.8812 43.3142 175.8702 75 R 4.8953 7.3201 112.1803 54.9285 32.7998 173.3261 76 L 4.5985 8.7849 122.4666 55.5330 42.4217 176.3162 77 V 4.4163 8.6498 124.1903 63.8763 33.8196 175.7337 78 E 4.4727 7.5567 113.9325 56.0193 31.4041 176.5190 79 S 4.3533 9.2858 118.3930 60.5663 63.2100 174.0114 80 G 3.7478 7.7342 116.8599 46.4039 0.0000 173.8602 81 R 4.7424 8.1591 127.1564 54.3006 31.7587 177.7388 82 M 4.1495 8.4258 120.9382 58.2793 31.3492 177.5372 83 D 4.4150 8.1722 119.1721 56.6640 39.1832 178.7622 84 L 4.0224 7.8194 119.9038 57.4607 41.5883 179.2886 85 V 3.6215 7.8558 117.7368 66.2092 31.1623 177.5361 86 E 3.9693 8.2170 118.0072 59.6032 29.2657 179.1964 87 K 3.7146 7.7244 117.2035 59.9958 32.1417 178.5704 88 Y 4.0406 7.8809 119.3492 60.6436 38.7605 177.5866 89 L 3.9240 8.4762 120.2336 58.1612 41.8477 179.6863 90 I 3.6087 8.4770 120.4323 64.3094 36.7509 178.4385 91 R 3.5609 7.2931 118.6502 59.2514 30.2864 178.3841 92 R 4.0950 7.5005 117.7017 59.5442 30.1069 178.5329 93 Q 3.9509 8.0797 117.6922 59.6244 28.8922 179.2419 94 N 4.2824 8.0836 116.8512 56.5511 38.4409 177.0201 95 Y 4.3963 7.4739 117.8515 61.3623 37.7975 178.4498 96 Q 4.1049 8.0827 119.1131 58.5677 29.0170 177.6192 97 S 4.6779 7.5637 112.9433 58.2403 63.4734 174.4664 98 L 4.5556 8.0759 123.5376 55.6867 43.2975 177.2652 99 S 4.5932 7.7306 113.0641 57.3935 65.1554 174.2192 100 K 4.1790 8.4241 119.2725 57.2167 32.6511 175.8556 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 2 P 0.00 4.31 0.00 2.19 2.09 0.00 3.74 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 1.88 1.99 0.00 3 K 8.58 3.94 0.00 1.73 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 K 8.75 3.85 0.00 1.92 1.90 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.59 7.81 5 V 8.38 5.05 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 0.89 0.00 0.00 1.02 0.00 0.00 6 L 9.17 4.80 0.00 1.24 1.27 0.19 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.57 4.60 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 1.18 0.00 0.00 8 G 8.45 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 0.00 0.00 0.00 0.00 9 V 8.28 4.78 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 0.71 0.00 0.00 0.90 0.00 0.00 10 V 8.39 4.16 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 11 V 8.37 4.26 1.79 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 0.29 0.00 0.00 -0.05 0.00 0.00 12 S 7.54 4.52 0.00 3.80 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 13 D 8.63 5.18 0.00 2.78 2.68 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 14 K 8.30 4.44 0.00 1.76 1.87 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.52 7.81 15 M 7.63 4.73 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 16 Q 8.44 4.17 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.29 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 17 K 8.92 4.18 0.00 1.98 1.81 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 18 T 7.52 5.27 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 1.29 0.00 0.00 19 V 8.40 4.66 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 0.73 0.00 0.00 0.91 0.00 0.00 20 T 8.99 4.77 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 1.20 0.00 0.00 21 V 8.80 4.80 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 0.93 0.00 0.00 0.86 0.00 0.00 22 L 8.85 4.96 0.00 1.75 1.47 1.08 1.12 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 23 V 8.24 4.53 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 0.49 0.00 0.00 0.91 0.00 0.00 24 E 8.89 4.79 0.00 1.87 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 2.31 2.33 0.00 25 R 9.07 4.79 0.00 1.93 2.05 0.00 2.83 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 26 Q 8.63 5.09 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 27 F 8.14 4.87 0.00 3.16 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 28 P 0.00 4.73 0.00 2.06 2.08 0.00 3.91 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 2.10 2.14 0.00 29 H 8.95 4.28 0.00 3.25 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.33 0.00 2.18 2.21 0.00 3.46 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 31 L 8.19 4.38 0.00 1.31 1.16 0.71 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.91 4.54 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.26 4.09 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 0.00 0.00 0.00 34 K 7.69 4.09 0.00 1.88 1.69 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 35 V 8.22 4.74 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 0.88 0.00 0.00 0.93 0.00 0.00 36 I 8.06 4.05 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.14 0.88 0.00 0.00 37 K 8.34 4.97 0.00 1.71 1.67 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.45 7.81 38 R 8.51 4.98 0.00 1.90 1.89 0.00 3.26 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 39 S 8.25 5.19 0.00 4.00 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 40 K 8.48 4.58 0.00 1.88 1.84 0.00 0.64 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.15 1.34 7.81 41 K 8.53 4.91 0.00 1.66 1.71 0.00 1.78 0.00 0.00 2.02 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.53 7.81 42 Y 8.99 4.60 0.00 2.66 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 43 L 8.61 5.01 0.00 1.66 1.65 0.91 0.82 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 44 A 9.14 4.86 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 45 H 8.54 4.82 0.00 3.29 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.85 5.24 0.00 2.80 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 47 P 0.00 4.32 0.00 2.23 2.19 0.00 3.89 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 48 E 8.20 4.22 0.00 2.13 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 2.26 2.29 0.00 49 E 8.40 3.91 0.00 2.15 2.09 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 2.24 2.24 0.00 50 K 7.51 3.96 0.00 1.72 1.79 0.00 1.68 0.00 0.00 1.34 0.00 0.00 2.46 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.15 0.33 7.81 51 Y 8.16 4.24 0.00 3.07 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 52 K 8.42 4.57 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.35 7.81 53 L 8.21 3.97 0.00 1.93 1.58 0.98 1.02 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 54 G 8.87 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 0.00 0.00 0.00 55 D 7.68 4.67 0.00 2.91 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 56 V 8.27 4.05 2.09 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 0.94 0.00 0.00 0.98 0.00 0.00 57 V 8.65 5.22 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 1.28 0.00 0.00 0.75 0.00 0.00 58 E 8.53 5.11 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 59 I 8.70 4.99 1.71 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 0.99 0.42 1.08 0.00 0.00 60 I 8.49 5.00 1.89 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 1.08 1.79 0.97 0.00 0.00 61 E 9.25 2.84 0.00 1.85 1.77 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 2.08 1.89 0.00 62 S 7.68 4.74 0.00 3.66 3.67 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 63 R 8.46 3.82 0.00 1.72 1.78 0.00 3.22 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 P 0.00 4.30 0.00 2.05 2.00 0.00 3.68 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 2.00 2.09 0.00 65 I 8.42 4.02 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.83 0.00 0.00 66 S 7.35 4.66 0.00 3.92 3.85 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 67 K 8.18 3.31 0.00 1.74 1.75 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 68 R 7.69 4.28 0.00 1.80 1.85 0.00 3.29 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 69 K 7.30 4.44 0.00 1.83 1.76 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.74 7.81 70 R 8.63 5.05 0.00 1.86 1.67 0.00 3.23 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 71 F 8.40 5.25 0.00 2.96 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 72 R 8.58 4.83 0.00 1.68 1.81 0.00 3.19 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 73 V 7.82 3.70 1.79 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 -0.51 0.00 0.00 0.80 0.00 0.00 74 L 8.13 4.79 0.00 1.70 1.49 0.94 1.37 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 75 R 7.32 4.90 0.00 1.96 2.03 0.00 3.05 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 76 L 8.78 4.60 0.00 1.82 1.68 1.15 0.88 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 77 V 8.65 4.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 78 E 7.56 4.47 0.00 2.03 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 2.15 2.19 0.00 79 S 9.29 4.35 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.73 3.75 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 0.00 0.00 0.00 81 R 8.16 4.74 0.00 2.09 1.86 0.00 3.67 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 82 M 8.43 4.15 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.17 4.42 0.00 2.87 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 84 L 7.82 4.02 0.00 1.82 1.77 0.92 1.24 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 85 V 7.86 3.62 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 1.17 0.00 0.00 0.99 0.00 0.00 86 E 8.22 3.97 0.00 2.26 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 2.62 2.52 0.00 87 K 7.72 3.71 0.00 2.02 1.92 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.64 7.81 88 Y 7.88 4.04 0.00 3.06 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 89 L 8.48 3.92 0.00 1.88 1.75 0.99 0.91 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 90 I 8.48 3.61 1.81 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 1.60 0.85 0.85 0.00 0.00 91 R 7.29 3.56 0.00 1.80 1.73 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 92 R 7.50 4.09 0.00 1.95 1.92 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.37 0.00 93 Q 8.08 3.95 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 94 N 8.08 4.28 0.00 2.57 2.77 0.00 0.00 7.14 7.54 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 95 Y 7.47 4.40 0.00 3.31 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 96 Q 8.08 4.10 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.18 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 97 S 7.56 4.68 0.00 4.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.08 4.56 0.00 1.80 1.80 1.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.73 4.59 0.00 3.98 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 0.00 100 K 8.42 4.18 0.00 1.71 1.69 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.33 7.81