NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9145 8.3544 109.7370 45.4230 0.0000 172.9096 -2 S 4.6121 8.2673 114.1871 57.2223 63.0875 172.6607 -1 N 4.6544 10.0657 126.7617 53.5444 39.3462 174.9510 -2 M 4.6221 8.2373 118.0871 54.3223 32.1875 174.3607 -1 K 4.2344 9.9557 128.4617 56.6444 33.5462 176.3510 3 A 5.1861 9.2072 123.8208 51.0378 23.4695 175.2231 4 V 5.0984 9.0056 117.6295 60.8231 35.6403 173.7016 5 C 5.1042 9.2892 122.3718 58.1732 35.2332 172.6433 6 V 4.4207 8.5566 126.6984 62.0049 32.9513 174.0260 7 M 5.1201 8.9402 128.3678 54.1971 34.3251 175.4736 8 T 4.8158 8.6978 119.0957 62.5076 74.0865 172.8778 9 G 4.3608 7.7620 108.1076 46.5406 0.0000 174.1321 10 T 4.4863 8.7757 112.6466 61.5177 68.9534 174.1454 11 A 4.4903 8.0878 121.8379 52.3493 19.4005 178.2784 12 G 3.8934 8.2041 104.9439 46.4268 0.0000 173.2978 13 V 4.5978 7.5166 118.7255 60.7206 33.4793 174.7046 14 K 4.8825 8.2399 124.6592 56.1269 36.6653 174.8174 15 G 3.8958 8.4061 106.9881 46.1799 0.0000 172.2015 16 V 4.8325 7.7529 118.8425 61.0544 35.1907 174.0467 17 V 4.7216 8.8826 127.4637 60.9238 34.3277 174.2303 18 K 5.0529 9.0289 126.3951 54.5984 35.7360 175.1149 19 F 5.6156 9.3988 122.1402 55.9588 43.1473 174.0630 20 T 5.5573 9.1141 112.1117 60.2209 72.2494 173.0817 21 Q 4.7649 8.4725 124.7675 55.0847 30.5870 174.1510 22 E 4.2494 9.0943 127.2393 58.1825 29.8314 177.3553 23 T 4.7318 7.4547 107.7770 59.1958 71.9859 173.9484 24 D 4.6488 8.9306 122.5904 57.2520 41.1357 177.1819 25 N 4.8748 8.0489 112.7014 52.7703 39.1116 174.5804 26 G 4.0264 8.0831 108.4743 43.1953 0.0000 171.9891 27 P 4.5865 0.0000 0.0000 62.7591 32.4096 175.7953 28 V 4.5626 8.8350 121.5023 61.7566 33.7941 174.1303 29 H 5.2094 9.2655 125.7686 54.8591 30.4895 174.1913 30 V 4.7868 9.3031 123.7823 61.3096 34.2383 173.6595 31 H 5.5014 9.2029 127.1627 54.4234 32.8706 171.9078 32 A 5.0058 9.2080 126.5543 50.2236 23.0432 174.4314 33 E 5.0476 8.4109 118.5116 54.6877 33.8583 175.0007 34 F 5.4240 9.1551 121.4077 55.9065 43.9252 173.7191 35 S 5.0275 8.9917 114.3730 57.6770 66.7027 174.9254 36 G 4.1452 8.9235 107.6728 46.7601 0.0000 173.4594 37 L 4.3654 7.7137 119.6571 52.7986 42.9066 176.3532 38 K 4.2936 8.3489 122.4076 55.8524 32.8579 176.6885 39 A 4.2250 8.4095 128.1600 53.7971 19.1276 176.1058 40 G 3.7517 8.5278 106.1645 43.8076 0.0000 172.7429 41 K 4.7925 8.2927 118.0219 56.3793 33.3787 176.6715 42 H 4.9309 9.1488 120.6301 53.6003 32.7352 173.2210 43 G 4.1160 9.0574 111.2403 47.0896 0.0000 172.1898 44 F 5.5015 8.9553 125.2630 57.0420 42.5995 173.0024 45 H 4.9853 8.8412 122.1953 54.3930 34.1691 172.5058 46 V 4.4038 8.5361 120.6370 62.5701 32.7152 174.9164 47 H 5.0926 9.2619 125.0684 54.1630 31.0259 175.5551 48 E 3.6841 8.8486 122.3270 59.1026 29.6202 177.1242 49 F 4.9638 7.8117 116.7487 55.1531 41.1622 175.9670 50 G 4.3460 8.5959 109.8165 45.5225 0.0000 173.2904 51 D 4.7416 8.2221 120.6906 52.6088 41.9809 175.5375 52 T 4.4030 8.2799 116.6706 61.5165 69.7043 174.9921 53 T 4.1419 7.7045 112.9182 63.1390 69.5490 172.9694 54 N 4.1178 9.0101 116.6627 55.0690 35.7815 174.5170 55 G 4.1354 9.0750 100.9505 47.1010 0.0000 175.8487 56 C 4.0121 8.2905 113.7913 57.1948 39.1824 175.4914 57 T 4.0002 7.7440 108.7385 62.9700 68.4124 175.2757 58 S 4.6662 7.8651 117.4419 58.4145 63.7027 175.2558 59 A 4.0012 7.8449 124.7716 53.0574 18.4435 179.0571 60 G 4.0796 7.6011 103.7172 44.3416 0.0000 172.5424 61 A 4.4552 8.0380 120.5115 51.0079 20.6024 176.8514 62 H 4.3294 8.4438 115.6475 55.9002 29.6677 175.8999 63 F 4.2749 9.0855 125.4966 58.1939 40.2061 175.1434 64 N 5.1209 7.8380 125.3886 51.7088 38.9111 173.0520 65 P 4.1486 0.0000 0.0000 65.2275 32.1294 177.9849 66 T 4.1085 7.5663 107.0366 60.6476 69.6778 174.3711 67 K 3.6954 7.4806 120.8211 58.3283 29.7753 173.0843 68 Q 4.6584 8.3848 116.1093 53.7395 32.4357 175.7169 69 E 4.3974 8.1724 118.0399 55.8529 31.2569 175.9722 70 H 4.0247 8.5928 122.2019 56.8666 30.5547 174.9274 71 G 4.2941 8.2019 109.6230 45.3504 0.0000 171.9353 72 A 4.6061 9.0442 122.6769 50.3888 19.8605 177.0634 73 P 4.3225 0.0000 0.0000 65.5906 31.4723 177.9907 74 E 4.1827 8.0428 113.9851 57.8910 30.1598 176.8090 75 D 4.6060 7.6832 120.0506 53.8809 41.5179 176.6873 76 S 4.1450 8.6114 116.7590 60.7127 63.4441 174.3695 77 I 4.3643 7.4172 122.9648 60.0485 37.2255 174.6058 78 R 4.7304 7.8292 119.3306 56.2541 32.4151 174.3748 79 H 4.4438 8.7818 116.9993 55.3503 29.3942 177.0696 80 V 3.4761 8.3283 122.6707 66.3299 31.3973 177.1251 81 G 3.9027 8.2458 104.6515 47.1037 0.0000 173.2533 82 D 4.9648 8.1469 121.4546 53.8815 40.7255 175.9041 83 L 4.6358 8.3552 123.0908 53.0763 42.8276 178.4347 84 G 4.1309 8.5010 109.5290 46.6313 0.0000 174.4092 85 N 5.6603 8.8451 120.6991 51.2035 41.9335 173.0575 86 V 4.3079 8.8143 122.9092 61.7811 33.4788 174.6814 87 V 4.6946 8.4782 127.3869 61.3485 32.7939 174.4699 88 A 4.6951 9.0739 131.1873 50.7147 20.8890 177.5635 89 G 4.2240 8.8967 111.4178 44.3314 0.0000 174.3309 90 A 3.9852 8.5123 121.5206 55.0869 18.2468 178.3412 91 D 4.4706 8.0221 112.6459 53.8696 40.0260 177.3629 92 G 4.4329 8.4340 109.5500 45.5067 0.0000 173.0146 93 N 5.4032 8.2739 117.1425 52.4686 40.8031 174.0812 94 A 4.9813 8.9185 121.8670 50.4346 23.2076 175.2437 95 V 4.8368 8.4589 119.9445 61.2049 34.4547 174.1100 96 Y 4.8441 9.1252 128.4798 55.9295 42.1206 173.7473 97 N 5.6423 8.1024 121.8498 51.7782 42.7276 173.4229 98 A 4.6030 9.0541 123.2581 51.1706 23.4959 174.8890 99 T 4.9902 8.4851 115.9462 61.8201 71.0013 173.3455 100 D 5.0403 9.3610 126.3188 52.5535 44.2560 176.2606 101 K 4.5081 8.9106 122.6603 56.5191 33.3988 177.2019 102 L 4.3925 8.1548 118.7811 56.6193 42.4356 177.3942 103 I 4.0620 7.8755 110.2855 61.0557 38.3363 174.5026 104 S 4.5911 8.1820 114.2254 57.6718 65.2724 173.9895 105 L 4.6324 8.9297 121.3111 54.3756 41.7387 176.1931 106 N 4.9140 7.9037 115.4217 52.6580 43.2766 176.2377 107 G 3.9293 8.5486 108.1785 45.2146 0.0000 174.3318 108 S 4.2401 8.7116 112.3377 61.3204 63.2554 174.5230 109 H 4.9191 8.1436 116.0221 55.4362 28.6617 174.9839 110 S 4.2479 7.9471 115.8190 58.7368 62.6485 174.0334 111 I 3.8176 8.2373 119.6506 60.3830 38.0212 175.5986 112 I 3.7696 7.1507 123.4874 63.0336 37.3443 176.5073 113 G 3.8560 9.2762 113.5515 45.4658 0.0000 173.0499 114 R 5.0252 7.5294 119.8135 54.4715 33.5265 174.8799 115 S 5.2970 8.1516 112.9245 57.4831 66.2058 173.0406 116 M 4.9781 8.7197 121.5287 54.1028 34.2365 175.3069 117 V 4.8968 8.7906 122.0291 61.1245 35.5432 173.7064 118 I 4.9739 8.5688 127.2570 59.6618 40.3811 174.2736 119 H 5.2937 8.8940 126.3775 54.1650 30.5258 174.8167 120 E 4.1503 9.1485 121.7967 58.9746 30.0801 176.0705 121 N 5.0945 8.3631 115.3662 50.5612 43.1332 173.7975 122 E 4.3293 8.4670 120.1974 56.2931 30.2500 175.0019 123 D 4.6186 9.3780 126.5834 53.6704 41.4981 175.7318 124 D 4.5484 9.2783 125.9637 53.3395 39.6912 177.0521 125 L 3.7394 9.8167 119.3540 55.9222 39.6734 175.7220 126 G 4.4680 8.7980 105.0148 46.3717 0.0000 174.9814 127 R 4.5164 7.9256 116.2967 55.6165 30.9880 177.5364 128 G 3.8178 7.5683 106.5711 46.2744 0.0000 175.1192 129 G 3.8948 8.4171 107.0270 45.5483 0.0000 172.9645 130 H 4.7296 7.7236 116.6007 54.3026 30.4852 175.8840 131 E 3.9409 8.7460 121.4791 59.6627 29.5510 179.1345 132 L 4.0031 7.9495 118.1492 57.3083 41.2763 179.0324 133 S 4.1463 7.8191 113.3212 61.2468 62.1964 175.4669 134 K 4.4283 7.7475 118.4953 56.5813 31.6579 177.5272 135 V 4.0887 7.4321 117.0182 64.1506 33.8261 175.9807 136 T 4.0147 8.1667 105.8764 60.3144 69.9758 175.3330 137 G 3.8238 7.8886 110.5770 45.1283 0.0000 173.2718 138 N 4.1707 7.8348 115.6628 54.4273 37.8209 174.5882 139 A 4.3492 7.0498 116.3673 51.1744 19.3937 179.9693 140 G 4.0945 7.9482 104.4717 44.7019 0.0000 173.6217 141 G 3.8490 8.4424 106.2604 46.7199 0.0000 173.2767 142 R 4.5547 8.3350 119.6344 54.7953 29.9808 176.5795 143 L 4.2848 8.7304 125.7125 57.4277 42.4558 177.6176 144 A 4.9628 7.7363 117.9348 51.2726 22.8805 173.9750 145 C 5.6006 8.4560 113.5832 55.3230 46.7846 172.6925 146 G 4.7412 8.1896 103.4588 46.3773 0.0000 172.7496 147 V 4.6471 8.3877 120.8802 61.9208 33.0691 175.5154 148 V 4.1454 8.8053 127.7119 62.4005 32.4229 175.1180 149 G 4.5235 9.1268 115.5305 43.9940 0.0000 172.3209 150 L 4.5781 8.5279 121.1491 54.5952 42.2281 176.4341 151 A 4.9379 8.4204 123.7419 49.5082 22.1186 176.0104 152 A 4.1403 8.5654 122.2332 52.3441 19.1910 177.8921 153 E 4.2648 8.4185 117.9020 56.5759 29.8385 175.3881 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 -3 G 8.35 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 -2 S 8.27 4.61 0.00 3.98 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 0.00 -1 N 10.07 4.65 0.00 2.90 2.74 0.00 0.00 6.97 7.67 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 -2 M 8.24 4.62 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 -1 K 9.96 4.23 0.00 1.91 1.74 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 3 A 9.21 5.19 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 4 V 9.01 5.10 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 0.83 0.00 0.00 1.03 0.00 0.00 5 C 9.29 5.10 0.00 3.20 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 6 V 8.56 4.42 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 0.93 0.00 0.00 0.93 0.00 0.00 7 M 8.94 5.12 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 8 T 8.70 4.82 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 1.22 0.00 0.00 9 G 7.76 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.78 4.49 4.24 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 1.21 0.00 0.00 11 A 8.09 4.49 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 12 G 8.20 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 13 V 7.52 4.60 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 0.91 0.00 0.00 0.91 0.00 0.00 14 K 8.24 4.88 0.00 1.87 1.85 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 15 G 8.41 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.75 4.83 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 0.85 0.00 0.00 0.84 0.00 0.00 17 V 8.88 4.72 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 0.52 0.00 0.00 1.06 0.00 0.00 18 K 9.03 5.05 0.00 1.62 1.63 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.33 7.81 19 F 9.40 5.62 0.00 3.00 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 20 T 9.11 5.56 4.32 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 1.27 0.00 0.00 21 Q 8.47 4.76 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.16 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 22 E 9.09 4.25 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 23 T 7.45 4.73 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 24 D 8.93 4.65 0.00 2.66 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 25 N 8.05 4.87 0.00 2.71 2.77 0.00 0.00 6.87 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 26 G 8.08 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 0.00 0.00 0.00 27 P 0.00 4.59 0.00 2.02 2.06 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 28 V 8.83 4.56 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 1.28 0.00 0.00 1.01 0.00 0.00 29 H 9.27 5.21 0.00 3.18 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.30 4.79 2.43 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 1.07 0.00 0.00 1.24 0.00 0.00 31 H 9.20 5.50 0.00 3.25 3.06 0.00 5.77 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 32 A 9.21 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.41 5.05 0.00 1.70 1.68 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 2.14 2.10 0.00 34 F 9.16 5.42 0.00 2.80 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 35 S 8.99 5.03 0.00 3.84 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 36 G 8.92 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 0.00 0.00 0.00 37 L 7.71 4.37 0.00 1.79 1.40 0.62 0.21 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 38 K 8.35 4.29 0.00 1.74 1.79 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 39 A 8.41 4.23 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 40 G 8.53 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 41 K 8.29 4.79 0.00 1.63 1.92 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 H 9.15 4.93 0.00 2.86 3.16 0.00 5.64 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 43 G 9.06 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 0.00 0.00 0.00 44 F 8.96 5.50 0.00 2.74 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 H 8.84 4.99 0.00 3.05 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.54 4.40 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 0.79 0.00 0.00 0.87 0.00 0.00 47 H 9.26 5.09 0.00 3.07 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.85 3.68 0.00 1.67 1.12 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 1.47 2.06 0.00 49 F 7.81 4.96 0.00 3.11 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 50 G 8.60 4.35 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 0.00 51 D 8.22 4.74 0.00 2.65 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.28 4.40 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 1.23 0.00 0.00 53 T 7.70 4.14 4.24 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 1.26 0.00 0.00 54 N 9.01 4.12 0.00 2.95 2.98 0.00 0.00 6.83 7.64 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 55 G 9.07 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 56 C 8.29 4.01 0.00 3.22 3.25 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 57 T 7.74 4.00 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 1.31 0.00 0.00 58 S 7.87 4.67 0.00 4.01 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 59 A 7.84 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.60 4.08 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 0.00 0.00 0.00 61 A 8.04 4.46 1.20 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 0.00 0.00 62 H 8.44 4.33 0.00 2.76 3.12 0.00 5.73 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 63 F 9.09 4.27 0.00 2.85 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 64 N 7.84 5.12 0.00 2.64 2.44 0.00 0.00 6.94 7.71 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 65 P 0.00 4.15 0.00 2.02 1.87 0.00 2.88 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.00 66 T 7.57 4.11 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 1.14 0.00 0.00 67 K 7.48 3.70 0.00 1.88 1.84 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.33 7.81 68 Q 8.38 4.66 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 69 E 8.17 4.40 0.00 1.89 1.83 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 2.38 2.29 0.00 70 H 8.59 4.02 0.00 3.20 3.25 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.20 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 72 A 9.04 4.61 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 73 P 0.00 4.32 0.00 2.11 2.22 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 74 E 8.04 4.18 0.00 2.08 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 2.28 2.28 0.00 75 D 7.68 4.61 0.00 2.87 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 76 S 8.61 4.14 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.42 4.36 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.87 0.00 0.00 78 R 7.83 4.73 0.00 1.87 1.88 0.00 3.32 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 79 H 8.78 4.44 0.00 3.50 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.33 3.48 1.57 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 0.81 0.00 0.00 0.49 0.00 0.00 81 G 8.25 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.15 4.96 0.00 2.68 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 83 L 8.36 4.64 0.00 1.40 1.79 0.79 1.08 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 84 G 8.50 4.13 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 0.00 0.00 0.00 85 N 8.85 5.66 0.00 2.65 2.74 0.00 0.00 6.63 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 86 V 8.81 4.31 1.69 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 0.78 0.00 0.00 0.02 0.00 0.00 87 V 8.48 4.69 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 88 A 9.07 4.70 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 89 G 8.90 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 0.00 0.00 0.00 0.00 90 A 8.51 3.99 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 91 D 8.02 4.47 0.00 2.80 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 92 G 8.43 4.43 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 0.00 93 N 8.27 5.40 0.00 2.82 2.75 0.00 0.00 6.54 6.80 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 94 A 8.92 4.98 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 95 V 8.46 4.84 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 0.83 0.00 0.00 0.94 0.00 0.00 96 Y 9.13 4.84 0.00 2.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.10 5.64 0.00 2.49 2.61 0.00 0.00 6.76 7.35 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 98 A 9.05 4.60 1.20 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 0.00 0.00 99 T 8.49 4.99 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 1.18 0.00 0.00 100 D 9.36 5.04 0.00 2.83 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 0.00 101 K 8.91 4.51 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.44 7.81 102 L 8.15 4.39 0.00 1.81 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.88 4.06 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.59 1.02 0.00 0.00 104 S 8.18 4.59 0.00 3.85 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 0.00 105 L 8.93 4.63 0.00 1.71 1.60 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.90 4.91 0.00 2.67 2.68 0.00 0.00 6.89 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.55 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 0.00 0.00 0.00 108 S 8.71 4.24 0.00 4.06 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 0.00 109 H 8.14 4.92 0.00 3.19 3.50 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.95 4.25 0.00 3.89 3.78 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 0.00 0.00 0.00 111 I 8.24 3.82 1.57 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.18 0.90 0.00 0.00 112 I 7.15 3.77 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.86 0.00 0.00 113 G 9.28 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 0.00 114 R 7.53 5.03 0.00 1.58 1.84 0.00 2.21 0.00 0.00 2.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.00 115 S 8.15 5.30 0.00 3.84 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.72 4.98 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.77 0.00 117 V 8.79 4.90 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 0.70 0.00 0.00 0.74 0.00 0.00 118 I 8.57 4.97 1.57 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 0.90 1.14 0.82 0.00 0.00 119 H 8.89 5.29 0.00 3.08 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.15 4.15 0.00 1.99 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 2.34 2.32 0.00 121 N 8.36 5.09 0.00 2.67 2.66 0.00 0.00 6.67 7.62 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 0.00 122 E 8.47 4.33 0.00 1.96 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 0.00 2.38 2.30 0.00 123 D 9.38 4.62 0.00 2.72 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 0.00 124 D 9.28 4.55 0.00 2.91 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 0.00 125 L 9.82 3.74 0.00 1.87 1.80 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.80 4.47 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 0.00 127 R 7.93 4.52 0.00 1.95 1.96 0.00 3.18 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 128 G 7.57 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 0.00 0.00 0.00 129 G 8.42 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 0.00 130 H 7.72 4.73 0.00 3.24 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.75 3.94 0.00 2.04 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 2.38 2.40 0.00 132 L 7.95 4.00 0.00 1.71 1.67 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 133 S 7.82 4.15 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 0.00 134 K 7.75 4.43 0.00 1.79 1.90 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.58 7.81 135 V 7.43 4.09 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 0.87 0.00 0.00 0.97 0.00 0.00 136 T 8.17 4.01 4.14 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 0.00 0.00 1.12 0.00 0.00 137 G 7.89 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 0.00 0.00 0.00 138 N 7.83 4.17 0.00 2.77 2.79 0.00 0.00 7.07 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.05 4.35 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 0.00 140 G 7.95 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 0.00 141 G 8.44 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 0.00 0.00 0.00 142 R 8.33 4.55 0.00 1.68 1.83 0.00 3.29 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 143 L 8.73 4.28 0.00 1.57 1.68 0.90 0.57 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 0.00 144 A 7.74 4.96 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 0.00 145 C 8.46 5.60 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.19 4.74 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 0.00 0.00 0.00 0.00 147 V 8.39 4.65 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 0.84 0.00 0.00 0.96 0.00 0.00 148 V 8.81 4.15 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 0.75 0.00 0.00 0.93 0.00 0.00 149 G 9.13 4.52 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 0.00 150 L 8.53 4.58 0.00 1.55 1.62 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.42 4.94 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 0.00 152 A 8.57 4.14 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 0.00 153 E 8.42 4.26 0.00 2.04 1.87 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 2.17 2.29 0.00