NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7388 8.4449 117.8324 56.2720 29.9813 172.8611 1D H 4.7126 8.6307 117.7879 55.5609 29.5634 172.6895 1E H 5.1029 7.5870 115.8536 53.6572 33.5249 172.0540 1F H 4.6566 8.8975 117.0641 55.9359 28.9789 174.3441 1G F 4.8794 8.3788 119.3144 57.8703 39.8750 173.9180 2 N 4.6506 8.5405 117.1698 52.3196 39.0952 174.5531 3 L 4.8132 8.0616 123.2304 51.9463 44.1182 174.6508 4 P 4.4732 0.0000 0.0000 61.7275 32.1629 174.2194 5 P 4.3737 0.0000 0.0000 62.5846 32.3816 176.2695 6 G 3.9554 8.9757 104.4769 45.3464 0.0000 171.7331 7 N 4.4712 7.8185 114.3378 51.5721 39.7230 174.4937 8 Y 4.9723 8.0265 118.2069 58.3415 38.6443 176.9964 9 K 4.1437 8.4278 122.7719 58.7314 32.2396 177.2241 10 K 4.7614 7.6123 115.3822 53.2643 35.8650 173.7605 11 P 4.7226 0.0000 0.0000 63.3822 32.2935 175.4674 12 V 4.7478 9.1741 113.4097 60.1984 37.0214 173.7535 13 L 4.9525 9.1063 121.6828 53.2838 44.2716 176.2727 14 L 4.8980 8.6327 123.3331 53.7110 43.0256 174.5819 15 Y 4.7322 9.2965 127.3315 56.5433 40.5111 173.7523 16 C 4.1069 8.6240 128.6270 57.9078 32.0975 174.2963 17 S 3.8563 8.0864 122.2376 60.8390 62.6549 175.5167 18 N 4.1746 8.0183 119.1176 56.2098 38.6742 175.4824 19 G 3.8657 7.5904 102.3011 44.5842 0.0000 173.0938 20 G 3.3440 7.7566 107.3252 46.1178 0.0000 173.1983 21 H 4.8299 7.3025 115.5826 54.0338 31.4162 174.0141 22 F 5.1406 9.0138 120.8742 55.9784 40.4250 175.2662 23 L 4.5687 9.1103 126.4677 55.5150 43.2435 175.6491 24 R 4.9690 9.3926 126.1097 54.5997 33.7041 173.8751 25 I 5.0281 8.4322 126.4604 59.6180 39.7089 175.3338 26 D 4.5075 8.9115 127.7129 51.0420 40.9398 175.6091 27 P 4.0835 0.0000 0.0000 65.7235 31.1806 177.7517 28 A 4.0848 8.0690 118.8484 53.1220 18.6742 178.1546 29 G 4.0515 8.5897 105.2408 45.1772 0.0000 173.5863 30 T 4.3674 7.9180 117.0267 63.0228 69.2522 173.5379 31 V 4.8302 7.9047 125.2582 61.2984 34.0489 174.5535 32 D 4.5615 8.3446 124.3617 53.1524 43.0954 174.1967 33 G 4.5561 8.7798 104.9689 45.2983 0.0000 172.4581 34 T 4.9961 8.9020 115.8828 60.3703 71.0051 174.6517 35 R 4.4124 8.8961 124.2846 56.7115 31.0282 176.3634 36 D 4.5420 8.3415 119.2068 53.5063 40.1427 176.5220 37 R 3.5986 8.5062 127.3332 57.7338 30.2318 177.0099 38 S 4.4159 8.4689 111.1780 58.8022 63.7803 174.1040 39 D 4.3454 7.6048 121.5710 55.2646 41.2199 175.8045 40 Q 4.4554 8.5102 123.4139 56.4607 29.0809 175.6246 41 H 4.9658 8.9557 115.9697 55.4974 29.5587 174.9175 42 I 4.6245 7.2352 111.0282 59.9371 38.9360 175.4332 43 Q 4.2364 7.8889 121.9931 55.8218 29.6675 174.8918 44 L 5.1616 9.0337 124.2582 52.7929 45.8521 175.3170 45 Q 4.8018 9.1527 123.7323 54.4683 31.0376 174.7048 46 L 5.3951 8.8209 126.3585 53.4374 43.6057 176.1430 47 S 4.5635 8.0755 113.7567 57.0726 66.4393 172.6870 48 A 5.1512 8.4598 122.8885 51.7239 20.5519 175.2895 49 E 4.0543 9.0426 120.5958 56.5824 29.7631 177.9923 50 S 4.6313 5.8100 114.2717 56.5761 65.4449 173.7144 51 V 3.8782 8.2011 121.3401 64.8000 31.5960 176.2310 52 G 3.9228 9.1609 114.2454 45.4297 0.0000 171.9207 53 E 5.2428 8.1222 119.6301 54.6087 32.2679 175.6083 54 V 4.8683 9.0272 116.0305 60.0060 36.9800 173.7548 55 Y 5.1976 8.7137 119.5485 56.4789 41.1387 175.2355 56 I 4.4058 8.6229 123.0511 59.6320 40.0888 174.0754 57 K 4.5822 8.6653 129.2191 54.1667 34.8411 175.0077 58 S 4.5715 8.8674 123.1700 58.2144 62.6629 174.9158 59 T 3.7820 8.4157 118.5864 64.6962 68.7415 175.9036 60 E 4.0431 8.3697 122.5655 58.4797 29.8477 177.0915 61 T 4.3151 7.8621 106.1916 60.7390 70.1223 175.5317 62 G 3.8225 8.2887 110.2192 45.3469 0.0000 173.7573 63 Q 4.4642 7.5754 118.4377 56.0112 30.3698 174.5226 64 Y 4.9696 8.7471 118.8086 55.8443 41.0316 175.3042 65 L 4.3830 9.0203 125.8718 55.3483 43.4864 175.6189 66 A 5.0425 8.6935 126.0728 50.6016 23.2101 174.3194 67 M 5.4174 8.8465 119.5266 53.8852 34.8746 175.6324 68 D 5.1638 9.3796 126.7109 52.3964 41.2041 177.0045 69 T 4.2219 8.5041 108.1804 63.7671 68.7536 174.5440 70 D 4.6495 8.4156 120.9064 54.0980 41.4779 177.0028 71 G 3.1946 8.6641 108.7048 45.1740 0.0000 172.8487 72 L 4.7518 8.1109 119.8972 52.8964 43.0943 176.1013 73 L 5.0600 8.3447 122.9677 55.2142 42.7357 175.5668 74 Y 4.9458 8.7790 119.0292 56.1403 41.9268 173.3779 75 G 4.2552 8.9637 108.7918 45.3395 0.0000 173.2264 76 S 5.1058 9.0533 120.6327 56.7687 64.1086 175.2761 77 Q 4.1748 9.0199 124.8375 58.1366 28.9577 176.3504 78 T 4.6212 7.6760 106.6237 58.8549 71.7145 172.1476 79 P 3.9462 0.0000 0.0000 61.4846 30.9987 174.1427 80 N 5.1658 7.9788 123.3886 50.9415 40.2666 174.3557 81 E 3.8756 8.7872 114.0890 59.8730 29.7201 178.0586 82 E 4.1436 8.8958 117.7780 57.4131 29.7038 177.2521 83 C 5.0099 7.7755 115.0630 58.5558 29.5457 173.5680 84 L 4.2229 7.0744 121.0617 53.8450 42.6873 175.9101 85 F 5.1294 8.9275 121.8066 55.5305 43.3480 174.4630 86 L 4.8500 9.2116 122.8985 53.8694 42.5491 175.3907 87 E 4.5733 8.7754 126.6299 55.1774 30.3432 175.6879 88 R 4.8133 8.6123 125.1912 54.0256 34.9251 174.4747 89 L 4.6949 8.6530 124.1135 55.2538 43.0421 175.8596 90 E 4.7077 9.1921 125.4079 55.1821 33.5952 174.9156 91 E 3.9901 9.7866 123.4417 57.6380 27.3176 174.2617 92 N 4.3131 8.4762 110.6985 54.1466 36.4893 173.9267 93 H 4.7953 8.4520 117.5147 57.4635 37.8394 173.5510 94 Y 4.7311 7.7912 116.1662 57.4581 40.0162 173.7438 95 N 5.5548 9.5812 118.7063 52.0543 41.0122 174.5748 96 T 5.2313 8.8082 112.6805 60.1268 72.9659 172.5590 97 Y 5.0009 8.6394 119.2014 56.6026 41.4161 174.2395 98 I 4.6032 8.5468 125.9160 59.0170 39.7577 175.3552 99 S 3.9637 8.8216 121.9143 58.7468 62.4597 174.0017 100 K 3.9511 8.7162 129.3415 59.3857 32.2455 178.6851 101 K 3.7704 7.9042 118.1051 59.0697 32.2865 176.6694 102 H 4.6752 7.9653 114.9849 55.0439 29.4839 176.3708 103 A 3.9892 7.7825 125.8501 55.2183 18.2774 180.6580 104 E 4.0367 8.0062 112.0607 58.2992 29.8441 177.5881 105 K 4.0728 7.5687 117.6059 55.5857 32.9532 175.7288 106 N 3.9575 7.4751 115.6261 53.9476 36.5168 174.5491 107 W 5.0749 7.6702 117.4499 55.7278 31.1369 177.2386 108 F 5.4480 9.2628 124.1062 55.4739 41.3127 175.8121 109 V 3.9074 8.9315 122.2030 63.1947 32.5076 175.2120 110 G 4.5036 8.5491 112.3969 45.3396 0.0000 171.5660 111 L 5.2600 8.3491 121.6117 52.4347 45.2214 177.0971 112 K 4.2535 8.9944 123.1496 55.5392 32.8408 178.4122 113 K 3.9472 8.4290 119.5894 59.1315 31.9726 177.8270 114 N 4.6203 8.1078 114.5726 52.4020 37.5377 176.1396 115 G 3.5713 8.1242 108.7676 45.5117 0.0000 174.1677 116 S 4.5891 8.3375 115.5421 57.5109 64.1125 173.4225 117 C 4.7532 8.2712 117.1528 58.3082 30.2908 173.2983 118 K 4.3651 8.9922 120.9941 56.1410 33.1207 176.6087 119 R 4.3313 8.3105 121.2069 54.8923 31.8156 177.6175 120 G 3.2887 8.8667 113.1384 48.2889 0.0000 174.1804 121 P 4.3552 0.0000 0.0000 64.4122 31.4178 177.2336 122 R 4.4690 7.8453 116.0215 55.8944 30.1918 175.9884 123 T 5.0060 7.4164 108.1622 59.7332 70.9122 173.2164 124 H 4.7596 7.8568 115.4610 54.9622 30.5878 172.9994 125 Y 3.9627 8.7653 118.2804 59.9869 38.0773 177.1950 126 G 4.0555 9.0601 111.4083 45.4170 0.0000 173.8829 127 Q 4.2648 7.3682 118.6270 55.0818 29.9026 176.9824 128 K 3.8636 8.2414 118.6795 58.3862 32.8872 179.4095 129 A 3.9740 8.0157 121.2872 53.9459 18.3537 178.4859 130 I 4.3980 7.1654 105.9612 60.4349 38.5193 175.2564 131 L 4.3773 7.3105 123.3323 53.9397 42.7070 175.8055 132 F 5.5005 9.4310 122.4441 55.6123 43.3605 174.1594 133 L 5.2684 9.3153 120.6779 52.5594 45.2830 174.4382 134 P 5.1146 0.0000 0.0000 62.1539 31.3005 175.0851 135 L 4.6285 9.0185 127.3406 53.2932 43.2240 174.9758 136 P 4.6446 0.0000 0.0000 62.8763 32.3293 176.7487 137 V 3.8045 8.1869 113.2065 61.8219 31.6385 176.2793 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 1C H 8.44 4.74 0.00 3.11 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.63 4.71 0.00 3.13 3.20 0.00 5.64 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 1E H 7.59 5.10 0.00 3.15 3.30 0.00 5.71 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 1F H 8.90 4.66 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.38 4.88 0.00 2.90 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.54 4.65 0.00 2.96 2.79 0.00 0.00 6.87 6.74 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 3 L 8.06 4.81 0.00 1.47 1.40 0.59 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.47 0.00 2.17 2.17 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 5 P 0.00 4.37 0.00 2.17 2.07 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 6 G 8.98 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 7 N 7.82 4.47 0.00 2.58 2.62 0.00 0.00 5.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.03 4.97 0.00 3.03 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 9 K 8.43 4.14 0.00 1.88 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.52 7.81 10 K 7.61 4.76 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 11 P 0.00 4.72 0.00 2.07 2.05 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 12 V 9.17 4.75 2.25 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 0.81 0.00 0.00 1.05 0.00 0.00 13 L 9.11 4.95 0.00 1.76 1.85 0.53 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 4.90 0.00 1.54 1.53 0.32 0.90 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 15 Y 9.30 4.73 0.00 3.11 3.07 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 16 C 8.62 4.11 0.00 2.53 2.44 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 17 S 8.09 3.86 0.00 3.90 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 18 N 8.02 4.17 0.00 2.52 2.62 0.00 0.00 6.74 7.98 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 19 G 7.59 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 20 G 7.76 3.34 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 0.00 21 H 7.30 4.83 0.00 3.03 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.01 5.14 0.00 3.12 3.07 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 23 L 9.11 4.57 0.00 1.79 1.53 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.39 4.97 0.00 1.91 2.05 0.00 3.14 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 25 I 8.43 5.03 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.89 0.00 0.00 26 D 8.91 4.51 0.00 2.74 2.74 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 27 P 0.00 4.08 0.00 2.02 2.16 0.00 3.52 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 28 A 8.07 4.08 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 29 G 8.59 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 0.00 0.00 0.00 30 T 7.92 4.37 4.60 0.00 0.00 0.00 0.00 0.00 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 31 V 7.90 4.83 2.10 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 0.83 0.00 0.00 0.93 0.00 0.00 32 D 8.34 4.56 0.00 2.82 2.74 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 33 G 8.78 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.90 5.00 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 1.35 0.00 0.00 35 R 8.90 4.41 0.00 1.91 2.04 0.00 3.24 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 36 D 8.34 4.54 0.00 2.73 2.64 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 37 R 8.51 3.60 0.00 1.73 1.82 0.00 3.22 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.00 38 S 8.47 4.42 0.00 3.94 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 39 D 7.60 4.35 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 40 Q 8.51 4.46 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.22 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 8.96 4.97 0.00 3.31 3.46 0.00 5.77 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 42 I 7.24 4.62 1.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.22 1.03 0.00 0.00 43 Q 7.89 4.24 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 44 L 9.03 5.16 0.00 1.50 1.43 0.82 0.84 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 45 Q 9.15 4.80 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 L 8.82 5.40 0.00 1.59 1.14 0.87 1.03 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 47 S 8.08 4.56 0.00 3.90 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 48 A 8.46 5.15 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 49 E 9.04 4.05 0.00 1.74 1.73 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 2.16 2.36 0.00 50 S 5.81 4.63 0.00 4.11 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 51 V 8.20 3.88 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 0.95 0.00 0.00 1.04 0.00 0.00 52 G 9.16 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 0.00 0.00 0.00 53 E 8.12 5.24 0.00 2.06 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 54 V 9.03 4.87 1.96 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 0.64 0.00 0.00 1.14 0.00 0.00 55 Y 8.71 5.20 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.62 4.41 1.76 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.63 0.67 0.00 0.00 57 K 8.67 4.58 0.00 1.40 1.51 0.00 1.17 0.00 0.00 1.21 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.95 0.42 7.81 58 S 8.87 4.57 0.00 3.83 3.76 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 59 T 8.42 3.78 4.20 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 1.17 0.00 0.00 60 E 8.37 4.04 0.00 1.98 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 2.23 2.36 0.00 61 T 7.86 4.32 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 1.24 0.00 0.00 62 G 8.29 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 63 Q 7.58 4.46 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.71 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 64 Y 8.75 4.97 0.00 2.92 2.89 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 65 L 9.02 4.38 0.00 1.61 1.47 0.81 0.14 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 66 A 8.69 5.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.85 5.42 0.00 2.23 2.27 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 2.68 2.69 0.00 68 D 9.38 5.16 0.00 2.99 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 69 T 8.50 4.22 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 70 D 8.42 4.65 0.00 2.80 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 71 G 8.66 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 0.00 0.00 0.00 72 L 8.11 4.75 0.00 2.05 1.62 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.34 5.06 0.00 1.57 1.62 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.78 4.95 0.00 3.01 2.98 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 75 G 8.96 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 0.00 0.00 0.00 0.00 76 S 9.05 5.11 0.00 3.68 3.84 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 77 Q 9.02 4.17 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.68 4.62 4.18 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 0.00 0.00 1.22 0.00 0.00 79 P 0.00 3.95 0.00 0.76 0.49 0.00 3.45 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 0.00 80 N 7.98 5.17 0.00 2.91 2.93 0.00 0.00 5.92 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 81 E 8.79 3.88 0.00 2.11 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 0.00 2.36 2.33 0.00 82 E 8.90 4.14 0.00 2.20 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 2.38 2.46 0.00 83 C 7.78 5.01 0.00 3.22 3.23 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 0.00 84 L 7.07 4.22 0.00 1.46 1.28 0.76 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.93 5.13 0.00 3.09 3.07 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 86 L 9.21 4.85 0.00 1.51 1.59 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.78 4.57 0.00 2.14 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 2.17 1.87 0.00 88 R 8.61 4.81 0.00 1.76 1.78 0.00 3.12 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 89 L 8.65 4.69 0.00 1.65 1.61 1.00 0.74 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 E 9.19 4.71 0.00 2.20 1.86 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 2.31 2.43 0.00 91 E 9.79 3.99 0.00 2.37 2.12 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 2.29 2.39 0.00 92 N 8.48 4.31 0.00 2.85 2.90 0.00 0.00 6.87 8.16 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 93 H 8.45 4.80 0.00 2.87 3.00 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.79 4.73 0.00 3.00 2.98 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 95 N 9.58 5.55 0.00 2.98 2.52 0.00 0.00 6.92 6.99 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 96 T 8.81 5.23 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 97 Y 8.64 5.00 0.00 2.77 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 98 I 8.55 4.60 1.65 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 0.64 0.00 0.00 99 S 8.82 3.96 0.00 4.11 3.97 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 0.00 100 K 8.72 3.95 0.00 1.67 1.65 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.29 7.81 101 K 7.90 3.77 0.00 1.74 1.65 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.99 1.30 7.81 102 H 7.97 4.68 0.00 3.15 2.39 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.78 3.99 1.36 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 0.00 104 E 8.01 4.04 0.00 1.92 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 2.12 2.16 0.00 105 K 7.57 4.07 0.00 0.79 1.24 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.57 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.03 0.84 7.81 106 N 7.48 3.96 0.00 3.03 3.03 0.00 0.00 6.90 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 0.00 107 W 7.67 5.07 0.00 3.29 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.26 5.45 0.00 2.84 3.01 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 0.00 109 V 8.93 3.91 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 0.65 0.00 0.00 0.43 0.00 0.00 110 G 8.55 4.50 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 0.00 111 L 8.35 5.26 0.00 1.47 1.45 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.99 4.25 0.00 1.95 1.67 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 K 8.43 3.95 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.45 7.81 114 N 8.11 4.62 0.00 2.78 2.88 0.00 0.00 6.14 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.12 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 0.00 116 S 8.34 4.59 0.00 3.95 3.97 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 0.00 117 C 8.27 4.75 0.00 3.00 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 K 8.99 4.37 0.00 1.74 1.73 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.36 7.81 119 R 8.31 4.33 0.00 1.61 1.60 0.00 3.05 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 120 G 8.87 3.29 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 0.00 121 P 0.00 4.36 0.00 1.94 2.17 0.00 3.07 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 122 R 7.85 4.47 0.00 1.85 1.91 0.00 3.29 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 123 T 7.42 5.01 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 1.39 0.00 0.00 124 H 7.86 4.76 0.00 3.46 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.77 3.96 0.00 3.16 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 0.00 126 G 9.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.37 4.26 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 128 K 8.24 3.86 0.00 1.73 1.63 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.27 7.81 129 A 8.02 3.97 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 0.00 130 I 7.17 4.40 1.67 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.49 0.00 0.00 131 L 7.31 4.38 0.00 0.93 0.56 0.47 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.43 5.50 0.00 3.37 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 0.00 133 L 9.32 5.27 0.00 1.85 1.66 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.11 0.00 2.18 2.27 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 135 L 9.02 4.63 0.00 1.79 1.68 0.84 0.79 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 0.00 136 P 0.00 4.64 0.00 2.08 2.07 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 137 V 8.19 3.80 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.92 0.00 0.00