NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4696 0.0000 0.0000 62.3619 32.8312 175.1191 3 K 4.7582 8.2159 117.6342 54.4989 36.0866 174.5157 4 K 4.9746 9.1219 123.1415 54.9369 36.1716 174.9490 5 T 4.9844 9.0855 112.6520 60.1447 71.8136 173.2711 6 I 5.1886 8.4861 115.4740 59.4595 42.1345 173.0978 7 Y 4.9752 8.7342 124.0932 56.0565 40.4963 174.9286 8 F 4.3039 8.5502 131.0927 57.3064 38.0963 173.2453 9 G 4.0893 9.1471 108.8897 45.6569 0.0000 169.6454 10 A 4.7875 8.2126 126.9367 50.3208 22.0503 176.3166 11 G 3.5544 8.7470 111.8358 44.9948 0.0000 173.2293 12 W 5.2047 5.2338 114.2851 55.1940 27.8470 175.4740 13 F 4.9233 8.1191 116.8918 58.9106 39.6795 176.1962 14 T 4.8128 7.3369 110.7365 59.2290 73.1801 174.2287 15 D 4.4066 8.5967 120.7696 57.4664 40.7743 179.2526 16 R 3.9881 7.9682 118.2331 59.3026 30.0689 178.9226 17 Q 4.0437 8.0090 117.3544 59.2069 28.8420 178.6919 18 N 4.3845 8.3842 117.4216 55.8848 38.4722 177.5873 19 K 4.0760 8.3161 121.0686 59.5631 32.3470 178.8118 20 A 4.2721 8.3004 121.1923 55.2342 18.3293 178.9534 21 Y 4.1498 8.4777 118.3628 60.9760 38.9225 178.6001 22 K 4.1780 8.2232 118.9438 59.5163 32.1327 179.1942 23 E 3.9860 8.3771 118.6628 59.5125 29.3598 179.3433 24 A 4.0807 8.3931 120.9066 55.4303 18.3752 179.3754 25 M 3.7245 8.0879 116.4953 58.6037 31.9997 178.4259 26 E 3.9535 8.0502 117.9762 59.2015 29.9950 178.7060 27 A 4.1863 8.2424 120.9574 55.2971 18.3463 179.7486 28 L 4.0502 8.2642 117.6016 57.7682 41.4264 179.7706 29 K 4.0743 7.7838 117.1109 58.4779 32.0702 178.2106 30 E 4.5179 7.7767 117.0684 55.6000 30.1843 175.5420 31 N 4.7741 7.5220 119.8971 52.1351 39.0696 173.8933 32 P 4.3949 0.0000 0.0000 65.2106 31.8358 177.0031 33 T 4.4226 8.5933 108.7918 61.4461 69.2246 173.8411 34 I 4.7354 7.4542 122.9784 59.8312 39.1080 175.2943 35 D 4.6980 8.5738 125.6589 52.3011 40.5114 175.4370 36 L 4.0397 8.0896 128.2758 57.3177 42.7742 178.7179 37 E 3.8552 8.3343 118.6330 59.0331 29.5894 176.8575 38 N 4.7471 8.1209 112.9850 53.3087 38.5683 175.0326 39 S 4.6575 7.5362 115.6999 57.9813 64.9835 172.6332 40 Y 4.5316 8.6804 122.0109 55.9836 41.0455 174.3127 41 V 4.3829 7.6334 126.6299 60.6556 33.3915 173.8843 42 P 4.2539 0.0000 0.0000 65.7547 31.3917 178.4238 43 L 3.3340 7.7711 117.4702 57.5996 41.8216 177.0892 44 D 4.7282 7.5517 115.6823 54.0773 40.7325 176.2207 45 N 4.9604 8.4629 114.8154 52.8040 40.4541 174.7489 46 Q 4.1883 7.9305 117.8325 55.4667 29.8495 175.1362 47 Y 4.3234 8.3139 122.4888 59.4108 39.1197 176.9506 48 K 3.3453 8.8922 123.4828 56.6307 29.8715 176.1246 49 G 3.8711 8.2455 105.6791 45.7443 0.0000 173.5369 50 I 4.3606 7.4870 112.6411 58.6618 39.4471 175.3570 51 R 4.6234 8.3421 123.3418 55.1160 30.7542 178.0820 52 V 3.6550 8.3983 115.9050 63.9061 31.7381 177.6477 53 D 4.6071 8.1813 117.6083 54.7270 39.8371 176.6893 54 E 4.4121 8.0017 118.5427 57.4478 30.9133 176.0624 55 H 4.8972 7.5081 115.0160 51.9303 29.4735 171.7573 56 P 4.4494 0.0000 0.0000 64.1596 31.3181 177.3614 57 E 3.9960 8.1879 115.1846 59.0195 29.8291 177.6626 58 Y 4.0524 8.1386 116.4953 58.5803 37.8677 177.0537 59 L 4.1239 7.7726 120.4650 56.4893 43.0030 176.9262 60 H 4.7841 7.4053 114.2197 52.5817 28.9887 172.9146 61 D 4.4960 7.7111 118.7485 52.0203 43.1858 174.2754 62 K 4.0397 8.7055 127.7431 59.3732 32.1832 179.1560 63 V 3.5782 7.9479 118.0726 65.6018 31.4961 177.7798 64 W 4.0619 8.6564 127.7112 60.4048 30.6807 177.8200 65 A 3.9955 8.4461 120.7810 55.4670 17.7804 179.7236 66 T 3.7660 8.3216 114.3411 66.7553 68.4852 176.7841 67 A 3.7822 7.5447 122.5360 55.4143 18.2889 179.8734 68 T 3.6668 7.3689 114.2583 66.5967 68.3764 176.3903 69 Y 3.9975 7.8836 121.3897 60.8828 38.8662 177.8628 70 N 4.0927 8.3612 117.5765 56.2461 38.5610 176.9593 71 N 4.2940 8.4550 118.7958 56.6145 39.0511 176.6937 72 D 4.3122 8.1515 120.2811 57.4111 40.9140 178.6252 73 L 3.3958 7.3947 119.3266 57.7633 41.5566 179.2433 74 N 4.3204 8.1830 116.9838 56.4805 38.5934 177.2061 75 G 2.9275 7.4061 106.6530 47.1760 0.0000 175.6862 76 I 3.8355 7.3312 122.2611 64.0734 37.0767 178.6412 77 K 4.0531 8.1476 118.5366 59.4655 32.4667 178.1898 78 T 4.3637 7.5964 108.2294 60.8760 69.4565 173.9940 79 N 5.1130 7.0505 118.4689 51.5858 41.4384 174.5862 80 D 4.5761 8.4069 120.6995 57.3510 41.1175 176.7666 81 I 4.6436 8.1423 119.2364 59.6574 40.6602 174.3846 82 M 4.7096 8.9834 126.4009 54.3517 33.3155 174.1349 83 L 4.9741 8.6559 129.2416 53.4084 44.4876 175.2896 84 G 4.2711 8.8657 113.5808 44.1749 0.0000 172.1237 85 V 4.2492 8.5254 128.4177 62.4880 31.8823 174.6453 86 Y 4.5674 9.1641 129.9579 55.7988 41.6485 174.4268 87 I 4.5667 7.9311 127.3283 58.9187 38.2287 174.0590 88 P 4.4103 0.0000 0.0000 65.9400 31.1901 177.7069 89 D 4.6110 8.0268 114.1172 55.6144 41.6970 176.2731 90 E 4.7166 7.8610 118.1758 54.9181 30.4033 175.5238 91 E 3.6494 7.8560 118.2985 56.2352 30.8979 177.1125 92 D 4.8039 8.1543 121.9460 52.4988 43.1184 177.5745 93 V 3.7379 8.4756 127.7719 64.9233 31.3131 178.6210 94 G 3.6144 8.0782 105.8116 47.6052 0.0000 175.3301 95 L 4.3524 8.5121 123.2919 57.5690 42.0857 179.2698 96 G 3.6527 8.2459 105.9101 48.0929 0.0000 175.2058 97 M 4.0780 8.1574 121.2933 58.4784 32.1751 178.1969 98 E 3.9766 8.2733 118.4934 59.1262 29.4570 179.4274 99 L 4.0724 8.0454 119.4951 57.6194 41.7057 179.6072 100 G 3.6186 8.0313 105.6150 48.0195 0.0000 175.0349 101 Y 3.9873 8.3295 122.3382 60.2565 38.7862 177.9455 102 A 3.8140 8.3733 122.1088 54.9922 18.4575 179.2755 103 L 3.8337 8.0862 119.2239 58.3489 41.9329 179.4601 104 S 4.1016 7.6137 112.9869 60.9198 62.9611 175.4756 105 Q 4.1966 7.2982 118.6616 54.6875 28.8415 175.6172 106 G 3.8168 7.6926 107.9987 46.5885 0.0000 174.1553 107 K 4.5482 7.6286 117.8702 54.7405 34.1887 176.3164 108 Y 4.4419 8.5636 123.6891 57.6638 40.2801 174.2394 109 V 4.5071 8.4320 126.8824 61.1876 33.6461 173.8006 110 L 4.7753 8.5558 130.9235 53.1614 44.4750 174.9643 111 L 4.9346 8.3450 126.3701 53.3433 44.1305 175.7869 112 V 4.8334 8.7671 122.5482 61.3731 34.2987 174.0470 113 I 5.1353 8.7209 129.1935 57.8858 39.8921 173.6655 114 P 4.5212 0.0000 0.0000 63.2430 32.1320 176.7142 115 D 4.5105 9.3314 124.3550 57.6673 40.9190 179.2022 116 E 4.0918 8.3561 114.7070 58.7086 29.7445 177.1221 117 D 4.7486 8.3594 118.1141 54.0624 41.9458 175.3158 118 Y 4.2678 7.7443 121.0546 59.2531 39.1921 174.5849 119 G 3.6880 8.8195 118.9109 45.9782 0.0000 174.2828 120 K 4.3904 7.8740 118.7399 55.4494 32.6403 174.9383 121 P 5.3588 0.0000 0.0000 62.6582 32.0985 175.7875 122 I 5.0364 8.3571 115.9344 58.5621 41.5472 174.0778 123 N 3.2455 9.1153 122.4912 53.8361 39.3823 175.0114 124 L 3.8161 8.4391 127.7902 59.0501 42.1643 179.2986 125 M 4.1048 8.4162 118.0331 58.4692 31.6601 179.0439 126 S 4.1487 8.1377 115.5584 61.0628 62.7968 176.3695 127 W 4.0997 8.1367 129.9088 60.2666 30.5919 177.8106 128 G 3.7474 8.4540 104.8852 48.1108 0.0000 175.9461 129 V 3.7063 7.4180 113.3870 62.7991 31.9394 177.5278 130 S 4.0377 7.0487 114.2630 58.9030 63.1963 173.8734 131 D 4.6769 8.2961 123.2377 55.0690 42.2036 175.6320 132 N 4.6594 7.3839 114.9763 53.4010 42.3782 173.5728 133 V 4.9623 8.3727 122.6885 60.3767 34.1891 173.8726 134 I 4.8782 8.8692 118.4995 58.6335 41.5730 174.3321 135 K 4.9207 8.4163 121.1484 55.9004 34.3304 177.3745 136 M 3.9773 9.0865 122.1724 59.3895 31.8269 179.0430 137 S 4.2269 8.5203 112.9910 61.2497 63.3876 175.8739 138 Q 4.2279 8.3006 120.9461 57.3005 28.1719 177.5265 139 L 4.0878 7.9028 122.5547 58.0810 41.8784 179.0297 140 K 4.3470 8.2128 115.7977 58.9524 32.6914 176.8455 141 D 4.8355 7.9479 117.4232 53.7568 42.3941 176.3574 142 F 3.6926 7.7598 121.5321 58.4927 39.2987 174.4133 143 N 4.5209 7.5075 126.5072 52.3620 37.5660 175.0596 144 F 4.5011 8.5989 123.8869 58.9150 39.2549 176.6700 145 N 4.6236 8.3687 117.7078 54.5849 39.2807 175.3177 146 K 4.5824 7.2709 116.4057 54.2606 32.7386 174.9898 147 P 4.0442 0.0000 0.0000 62.6123 32.2457 176.5568 148 R 4.7596 8.0463 119.4693 54.0343 33.9787 174.5886 149 F 4.7399 8.6510 121.8597 58.5782 40.3048 173.9867 150 D 4.1268 7.1656 121.9199 53.1028 44.9219 174.4988 151 F 4.6000 8.3405 122.4962 56.6118 40.3905 175.0175 152 Y 4.4232 8.9452 123.2354 58.0794 39.4793 176.6797 153 E 4.2568 8.3858 130.9823 53.1427 28.1391 174.3294 154 G 2.9245 6.4337 107.7834 44.5675 0.0000 170.2339 155 A 4.6263 7.6356 120.5380 51.0016 20.9501 177.4541 156 V 5.2386 8.1111 118.3075 59.4155 34.0658 174.8093 157 Y 4.4007 8.5626 122.8962 56.9779 37.8873 175.4166 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 4.47 0.00 2.26 2.07 0.00 3.59 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 1.92 2.11 0.00 3 K 8.22 4.76 0.00 1.66 1.65 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 4 K 9.12 4.97 0.00 1.61 1.69 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.78 7.81 5 T 9.09 4.98 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 I 8.49 5.19 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.66 0.61 0.00 0.00 7 Y 8.73 4.98 0.00 3.32 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 8 F 8.55 4.30 0.00 2.88 2.78 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 9 G 9.15 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 10 A 8.21 4.79 0.74 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 11 G 8.75 3.55 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 0.00 0.00 0.00 0.00 12 W 5.23 5.20 0.00 3.17 2.99 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 13 F 8.12 4.92 0.00 3.04 2.96 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 14 T 7.34 4.81 4.28 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 1.27 0.00 0.00 15 D 8.60 4.41 0.00 2.74 2.78 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 16 R 7.97 3.99 0.00 2.10 2.01 0.00 3.16 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 17 Q 8.01 4.04 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 18 N 8.38 4.38 0.00 2.90 2.86 0.00 0.00 6.71 7.19 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 19 K 8.32 4.08 0.00 1.94 2.08 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.50 7.81 20 A 8.30 4.27 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 21 Y 8.48 4.15 0.00 3.34 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 22 K 8.22 4.18 0.00 2.07 1.91 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.77 7.81 23 E 8.38 3.99 0.00 2.25 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 2.39 2.64 0.00 24 A 8.39 4.08 1.54 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 0.00 0.00 25 M 8.09 3.72 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 26 E 8.05 3.95 0.00 2.20 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 2.35 2.49 0.00 27 A 8.24 4.19 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 28 L 8.26 4.05 0.00 1.78 1.69 1.01 0.95 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 29 K 7.78 4.07 0.00 1.82 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.73 7.81 30 E 7.78 4.52 0.00 2.14 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 2.30 2.48 0.00 31 N 7.52 4.77 0.00 2.80 2.80 0.00 0.00 6.80 7.97 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 32 P 0.00 4.39 0.00 2.24 2.19 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 33 T 8.59 4.42 4.37 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 1.26 0.00 0.00 34 I 7.45 4.74 1.85 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 1.21 0.75 0.82 0.00 0.00 35 D 8.57 4.70 0.00 2.57 2.57 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 36 L 8.09 4.04 0.00 1.70 1.58 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.33 3.86 0.00 1.93 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 0.00 2.27 2.31 0.00 38 N 8.12 4.75 0.00 2.91 2.82 0.00 0.00 7.08 7.14 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 39 S 7.54 4.66 0.00 3.89 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.68 4.53 0.00 3.07 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 41 V 7.63 4.38 1.85 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 0.79 0.00 0.00 0.70 0.00 0.00 42 P 0.00 4.25 0.00 2.43 2.43 0.00 3.73 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 2.26 2.04 0.00 43 L 7.77 3.33 0.00 1.17 1.45 -0.57 0.39 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 44 D 7.55 4.73 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.46 4.96 0.00 2.23 2.88 0.00 0.00 6.91 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 46 Q 7.93 4.19 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 47 Y 8.31 4.32 0.00 2.54 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 0.00 0.00 0.00 0.00 48 K 8.89 3.35 0.00 1.71 1.68 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.96 0.21 7.81 49 G 8.25 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 50 I 7.49 4.36 1.51 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.58 0.70 0.00 0.00 51 R 8.34 4.62 0.00 1.95 2.24 0.00 2.94 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 52 V 8.40 3.66 1.85 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 -0.48 0.00 0.00 0.96 0.00 0.00 53 D 8.18 4.61 0.00 2.89 2.96 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 54 E 8.00 4.41 0.00 2.15 1.89 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 2.29 2.41 0.00 55 H 7.51 4.90 0.00 3.13 3.68 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 56 P 0.00 4.45 0.00 2.15 2.12 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 57 E 8.19 4.00 0.00 1.96 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 2.03 2.08 0.00 58 Y 8.14 4.05 0.00 2.64 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 0.00 0.00 0.00 0.00 59 L 7.77 4.12 0.00 1.67 1.66 0.94 0.81 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 60 H 7.41 4.78 0.00 3.15 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.71 4.50 0.00 2.65 2.86 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 62 K 8.71 4.04 0.00 1.87 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.54 7.81 63 V 7.95 3.58 2.36 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 0.99 0.00 0.00 0.97 0.00 0.00 64 W 8.66 4.06 0.00 3.91 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 65 A 8.45 4.00 1.55 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 0.00 0.00 0.00 66 T 8.32 3.77 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 1.18 0.00 0.00 67 A 7.54 3.78 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.37 3.67 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 69 Y 7.88 4.00 0.00 3.07 3.11 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 0.00 0.00 0.00 0.00 70 N 8.36 4.09 0.00 2.88 2.79 0.00 0.00 6.74 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 71 N 8.46 4.29 0.00 3.00 2.93 0.00 0.00 7.22 8.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.15 4.31 0.00 2.80 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 73 L 7.39 3.40 0.00 1.44 1.21 0.31 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.18 4.32 0.00 2.75 2.88 0.00 0.00 7.13 7.46 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 75 G 7.41 2.93 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 76 I 7.33 3.84 2.00 0.00 0.00 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 0.35 0.34 0.83 0.00 0.00 77 K 8.15 4.05 0.00 1.89 2.01 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.44 7.81 78 T 7.60 4.36 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 1.25 0.00 0.00 79 N 7.05 5.11 0.00 2.90 2.82 0.00 0.00 6.94 9.28 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 80 D 8.41 4.58 0.00 2.79 2.78 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 81 I 8.14 4.64 1.88 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.94 1.13 0.00 0.00 82 M 8.98 4.71 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 83 L 8.66 4.97 0.00 1.88 1.66 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.87 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 0.00 0.00 0.00 0.00 85 V 8.53 4.25 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 0.76 0.00 0.00 0.62 0.00 0.00 86 Y 9.16 4.57 0.00 3.04 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.93 4.57 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.98 0.00 0.00 88 P 0.00 4.41 0.00 2.13 2.45 0.00 3.76 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 89 D 8.03 4.61 0.00 2.68 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 90 E 7.86 4.72 0.00 1.88 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 2.24 2.27 0.00 91 E 7.86 3.65 0.00 1.94 1.76 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 1.93 2.47 0.00 92 D 8.15 4.80 0.00 2.68 2.50 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 93 V 8.48 3.74 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 0.78 0.00 0.00 0.94 0.00 0.00 94 G 8.08 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 95 L 8.51 4.35 0.00 1.82 1.89 1.00 0.99 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 96 G 8.25 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.16 4.08 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.81 0.00 98 E 8.27 3.98 0.00 2.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.43 0.00 99 L 8.05 4.07 0.00 1.87 1.70 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 100 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 0.00 101 Y 8.33 3.99 0.00 2.95 3.04 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 0.00 0.00 0.00 102 A 8.37 3.81 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 0.00 103 L 8.09 3.83 0.00 1.70 1.86 0.87 0.99 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 0.00 104 S 7.61 4.10 0.00 3.96 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 0.00 105 Q 7.30 4.20 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 106 G 7.69 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 0.00 107 K 7.63 4.55 0.00 1.65 1.77 0.00 2.01 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.46 7.81 108 Y 8.56 4.44 0.00 3.02 2.93 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 0.00 109 V 8.43 4.51 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 0.84 0.00 0.00 0.89 0.00 0.00 110 L 8.56 4.78 0.00 1.61 1.46 0.62 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.35 4.93 0.00 1.44 1.35 0.27 0.56 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 0.00 112 V 8.77 4.83 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 1.13 0.00 0.00 0.93 0.00 0.00 113 I 8.72 5.14 2.19 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 1.11 0.00 0.00 114 P 0.00 4.52 0.00 2.30 2.07 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 115 D 9.33 4.51 0.00 2.83 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 0.00 116 E 8.36 4.09 0.00 2.12 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 0.00 2.35 2.34 0.00 117 D 8.36 4.75 0.00 2.95 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 0.00 118 Y 7.74 4.27 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.82 3.69 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 0.00 0.00 0.00 120 K 7.87 4.39 0.00 1.89 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.66 7.81 121 P 0.00 5.36 0.00 2.11 2.19 0.00 3.73 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 122 I 8.36 5.04 1.79 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.84 0.00 0.00 123 N 9.12 3.25 0.00 2.91 2.74 0.00 0.00 6.99 6.21 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 0.00 124 L 8.44 3.82 0.00 1.62 1.57 0.87 0.98 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 0.00 125 M 8.42 4.10 0.00 2.10 2.12 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 2.64 2.84 0.00 126 S 8.14 4.15 0.00 3.91 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 0.00 127 W 8.14 4.10 0.00 3.13 3.41 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 0.00 128 G 8.45 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 0.00 129 V 7.42 3.71 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 0.75 0.00 0.00 1.01 0.00 0.00 130 S 7.05 4.04 0.00 3.68 3.68 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 0.00 131 D 8.30 4.68 0.00 1.91 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 0.00 132 N 7.38 4.66 0.00 2.70 2.52 0.00 0.00 7.18 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 0.00 133 V 8.37 4.96 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 0.74 0.00 0.00 0.83 0.00 0.00 134 I 8.87 4.88 2.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 0.98 0.00 0.00 135 K 8.42 4.92 0.00 1.99 1.68 0.00 1.17 0.00 0.00 1.76 0.00 0.00 2.51 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.14 1.24 7.81 136 M 9.09 3.98 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 137 S 8.52 4.23 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 0.00 138 Q 8.30 4.23 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 139 L 7.90 4.09 0.00 1.90 1.83 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.21 4.35 0.00 1.95 1.99 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.51 7.81 141 D 7.95 4.84 0.00 2.71 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 0.00 142 F 7.76 3.69 0.00 2.90 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 0.00 143 N 7.51 4.52 0.00 2.54 2.33 0.00 0.00 7.24 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 0.00 144 F 8.60 4.50 0.00 3.14 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 0.00 145 N 8.37 4.62 0.00 2.88 2.86 0.00 0.00 6.70 6.89 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 0.00 146 K 7.27 4.58 0.00 1.53 1.59 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.27 7.81 147 P 0.00 4.04 0.00 0.49 1.34 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 148 R 8.05 4.76 0.00 1.76 1.85 0.00 3.36 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 149 F 8.65 4.74 0.00 3.03 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 0.00 150 D 7.17 4.13 0.00 2.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.34 4.60 0.00 3.08 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 0.00 152 Y 8.95 4.42 0.00 2.93 3.26 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 0.00 153 E 8.39 4.26 0.00 2.04 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 0.00 2.37 2.32 0.00 154 G 6.43 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 0.00 0.00 0.00 155 A 7.64 4.63 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 0.00 156 V 8.11 5.24 1.80 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 0.41 0.00 0.00 0.63 0.00 0.00 157 Y 8.56 4.40 0.00 2.95 2.96 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