NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2310 8.3144 121.7894 55.8757 33.1726 174.9440 2 E 3.9468 8.3287 124.4225 55.0392 30.4734 174.9559 3 T 4.0467 8.6469 121.1874 61.5669 70.5655 174.7771 4 A 3.9903 8.4501 125.6340 55.1546 18.4401 179.9294 5 A 4.1227 7.9559 118.6651 55.2946 18.5120 179.6098 6 A 4.4012 7.9116 120.2363 54.5343 18.4418 179.5961 7 K 4.1265 8.2807 119.7706 59.0568 32.1772 178.8103 8 F 4.0106 8.3741 120.9879 61.1994 39.1811 176.9273 9 E 4.0440 8.4444 118.2117 59.5755 29.1279 179.3267 10 R 3.8943 7.9073 117.2607 59.6133 30.2059 178.2004 11 Q 3.9443 8.0649 116.9629 57.9299 29.0996 176.2964 12 H 4.7041 7.9480 114.3486 54.4235 31.0923 173.5715 13 M 4.7399 7.9492 118.9237 53.9185 33.6151 176.4890 14 D 4.7244 9.0509 122.7426 53.1171 41.8636 175.4221 15 S 4.6064 8.4644 114.7290 58.5856 63.5369 175.0938 16 S 4.5706 8.0463 114.8176 58.7359 63.6301 174.2645 17 T 4.7493 7.5564 110.3921 59.7467 71.3945 174.0928 18 S 4.2257 8.6273 116.8557 60.1454 63.7456 173.5521 19 A 3.6162 7.1438 120.8103 50.7585 21.2525 175.4889 20 A 3.0404 8.7083 123.7688 51.9029 20.2399 176.7527 21 S 4.2660 9.3103 117.5052 59.4247 62.1789 176.3474 22 S 4.8687 8.9710 120.0766 56.2589 65.9916 175.0568 23 S 4.2877 8.6272 113.5146 61.1445 63.0164 174.3557 24 N 4.7175 8.1194 117.8918 53.5321 39.1258 175.9610 25 Y 4.0189 8.0600 120.8329 61.2263 38.7306 177.6752 26 C 4.1920 8.4545 116.9516 60.0629 37.9955 175.6957 27 N 4.4191 8.2779 117.5477 56.6133 38.0620 177.3475 28 Q 3.9046 7.8928 119.0847 59.2959 28.7754 178.7035 29 M 3.6486 7.8032 120.0273 58.3740 31.7202 178.7935 30 M 4.0037 8.2650 119.2819 57.8143 31.9667 178.8145 31 K 3.9280 7.6525 119.6003 59.5043 32.2696 178.9258 32 S 4.1275 7.8694 114.2509 61.6066 62.8032 176.1336 33 R 4.3105 7.8585 117.6128 55.2660 30.0394 176.0207 34 N 4.2155 7.9182 114.7904 54.7112 36.7415 174.7849 35 L 4.5747 8.1538 115.8048 54.9268 42.0230 177.8692 36 T 5.3894 7.5299 106.0032 60.1798 69.3353 174.9846 37 K 4.0367 8.2495 121.1481 59.7491 32.1983 177.3964 38 D 4.6473 7.6825 116.2193 54.0256 42.7759 176.3561 39 R 3.9049 7.2075 116.1046 54.9820 34.1374 174.1855 40 C 4.9615 8.5017 117.1952 55.4815 40.8555 174.0658 41 K 4.2300 8.5372 127.4358 55.7323 32.5336 174.8851 42 P 4.7334 0.0000 0.0000 64.9458 32.4683 176.4043 43 V 4.9801 7.5549 117.9238 60.9909 34.8308 174.2875 44 N 4.6716 9.2706 124.6904 52.8955 42.8356 172.8459 45 T 4.7061 8.0048 122.3838 61.8205 71.0964 173.2065 46 F 4.8015 8.9277 125.0042 55.7435 41.8243 174.7319 47 V 4.5913 8.9925 123.2153 61.1538 33.3293 175.7617 48 H 5.6961 8.8726 128.8918 53.8223 26.1920 173.1198 49 E 4.7824 7.6463 118.1571 53.4654 34.6633 176.2684 50 S 4.3893 8.3601 114.5792 58.1633 65.0626 174.7878 51 L 3.9870 7.9356 121.7743 58.4660 41.8121 179.3396 52 A 4.1719 8.0288 120.1071 55.4967 18.1193 179.2394 53 D 4.3318 8.0094 116.3082 57.3007 41.2372 178.8839 54 V 3.8156 7.8507 118.8926 66.0129 31.6031 178.1543 55 Q 3.8866 8.6094 118.0854 58.8000 28.5425 178.5681 56 A 4.0191 8.2546 121.3517 54.6184 18.3210 179.3500 57 A 3.8910 7.7397 119.2593 55.1509 18.1574 178.6004 58 C 3.7671 7.8620 113.8171 58.2053 40.0890 174.3799 59 S 4.6764 7.5029 114.4467 57.9524 63.8995 174.6339 60 Q 4.0101 7.2808 122.2343 56.1561 27.1904 177.6908 61 K 4.3329 8.2125 131.2854 56.8111 33.0034 174.9940 62 N 4.2580 8.7584 127.4153 53.4512 39.0917 174.3193 63 V 4.5915 8.3183 118.4192 59.1733 36.7023 174.9810 64 A 4.3561 8.4134 124.7334 52.3550 19.1049 178.3970 65 C 4.7370 8.6483 118.6199 55.7364 41.4636 175.3846 66 K 3.7575 8.8540 121.6150 59.6438 31.6222 178.1443 67 N 4.5265 8.0413 113.1694 53.0593 37.5089 175.8371 68 G 3.9448 8.1222 108.4189 45.4733 0.0000 174.2580 69 Q 4.2130 8.5033 119.4096 56.3565 29.2281 176.4793 70 T 4.7439 8.3589 108.6584 61.6115 69.1191 174.0633 71 N 5.1330 7.9718 118.3561 53.6763 38.4796 174.5567 72 C 5.3493 7.5119 115.9932 56.8232 44.1974 172.6796 73 Y 5.0037 8.9471 118.7349 56.2869 42.0951 173.9362 74 Q 5.0416 9.0276 125.4508 53.9477 31.0625 174.8974 75 S 4.0949 8.8541 122.3956 58.9887 62.9023 174.6397 76 Y 4.4926 8.6712 120.6337 60.3635 37.9884 176.1484 77 S 5.0864 7.8344 112.7003 56.3465 65.7842 174.3369 78 T 4.1957 8.2721 110.6681 62.0309 69.7995 173.4857 79 M 5.0651 9.0152 121.6270 53.4263 37.0838 174.5420 80 S 5.0896 9.6496 116.9784 57.7126 63.6214 173.1321 81 I 5.2508 9.1524 120.1106 59.6266 41.7655 174.1080 82 T 4.9620 8.9950 119.3084 61.9306 72.0313 172.5336 83 D 4.9686 9.2474 127.0958 53.3172 43.2184 174.2230 84 C 5.6246 9.1271 123.1095 55.3602 40.5652 173.2421 85 R 5.4556 8.9083 121.5446 54.1790 33.9444 174.7451 86 E 4.1925 9.2335 123.1995 56.9164 30.9312 176.9567 87 T 4.2128 8.2579 113.9954 60.1151 71.0299 176.0379 88 G 3.6065 8.6422 110.1654 48.7318 0.0000 174.8130 89 S 4.3321 7.4125 113.2374 59.0074 63.1130 174.2777 90 S 4.1592 7.5981 116.8345 57.7405 62.7550 173.5585 91 K 4.2811 8.7247 127.6046 55.3961 34.5140 174.1325 92 Y 4.3368 8.7463 128.0719 57.7423 39.1093 174.1436 93 P 3.2347 0.0000 0.0000 62.6740 31.9996 176.7769 94 N 4.8418 8.1935 117.2835 52.3933 37.7667 173.7096 95 C 4.6822 7.8262 116.5695 56.9547 39.2341 173.5143 96 A 4.9429 8.3552 123.4492 50.8675 22.2720 174.8638 97 Y 5.1523 9.5900 120.0677 55.9563 41.8519 175.1367 98 K 4.4810 9.2903 124.5020 55.8238 34.1719 175.3173 99 T 5.0136 8.5848 123.7171 62.4029 70.2643 174.0285 100 T 4.5401 8.8988 123.9077 61.7056 71.4196 173.1160 101 Q 4.8224 8.7243 128.0118 55.5359 30.4196 174.3408 102 A 4.6457 8.8635 126.1108 51.2474 23.8002 174.6003 103 N 5.4533 8.6816 115.4641 51.8602 41.5868 174.2555 104 K 4.6994 8.8808 122.2741 54.9713 37.7415 175.5507 105 H 4.9453 9.3123 119.2548 55.9640 29.9598 174.9132 106 I 4.7154 8.6597 115.1018 59.3541 40.6162 174.4527 107 I 4.9006 8.0302 124.4783 59.7320 39.9865 175.0142 108 V 4.7909 8.6589 119.7515 59.3112 35.8464 174.5928 109 A 5.0018 8.6404 125.0932 51.2306 20.4868 175.7543 110 C 5.1935 8.7258 119.1437 55.2034 37.6874 173.2138 111 E 4.6349 8.6517 118.3289 56.4914 33.2318 175.5726 112 G 4.1534 9.6162 107.4485 44.8207 0.0000 171.8421 113 N 5.0703 8.1867 115.2890 50.5176 40.9601 173.0090 114 P 4.2961 0.0000 0.0000 62.8220 31.8969 175.8485 115 Y 4.9739 8.2387 121.2864 56.5955 38.7737 174.4292 116 V 4.4092 7.9484 119.0593 58.2295 36.6927 173.4255 117 P 4.3762 0.0000 0.0000 62.9468 30.8760 177.0749 118 V 4.4333 8.7036 115.9274 61.3198 33.9949 175.4669 119 H 5.1923 7.9101 116.6061 54.3462 33.5421 172.0732 120 F 4.8192 8.9639 124.4745 57.2328 39.5822 174.6600 121 D 4.5847 8.5323 126.9889 56.3697 41.9338 175.6613 122 A 4.6033 6.5332 117.5976 51.6540 22.3538 174.8230 123 S 5.1946 8.9146 113.1963 56.5339 66.3568 174.7123 124 V 4.1466 8.8867 120.5936 62.0217 31.4610 175.2487 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.31 4.23 0.00 1.74 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.33 3.95 0.00 2.13 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 0.00 2.44 2.37 0.00 3 T 8.65 4.05 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 1.28 0.00 0.00 4 A 8.45 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 5 A 7.96 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.91 4.40 1.35 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 7 K 8.28 4.13 0.00 2.01 2.02 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 8 F 8.37 4.01 0.00 3.20 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 9 E 8.44 4.04 0.00 2.31 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 0.00 2.47 2.64 0.00 10 R 7.91 3.89 0.00 1.80 1.94 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 8.06 3.94 0.00 1.47 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 12 H 7.95 4.70 0.00 1.91 2.71 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.95 4.74 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.71 0.00 14 D 9.05 4.72 0.00 2.65 2.41 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 15 S 8.46 4.61 0.00 3.93 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 16 S 8.05 4.57 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.56 4.75 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 1.27 0.00 0.00 18 S 8.63 4.23 0.00 3.97 4.01 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 19 A 7.14 3.62 1.08 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 20 A 8.71 3.04 0.79 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 0.00 0.00 0.00 0.00 0.00 21 S 9.31 4.27 0.00 4.03 3.71 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 22 S 8.97 4.87 0.00 4.04 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 23 S 8.63 4.29 0.00 4.04 4.07 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 24 N 8.12 4.72 0.00 2.86 2.89 0.00 0.00 6.43 7.47 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 25 Y 8.06 4.02 0.00 3.06 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 26 C 8.45 4.19 0.00 3.17 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 27 N 8.28 4.42 0.00 2.91 2.93 0.00 0.00 7.12 7.51 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 28 Q 7.89 3.90 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 29 M 7.80 3.65 0.00 0.67 1.13 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.58 0.00 30 M 8.26 4.00 0.00 1.64 1.79 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.38 0.00 31 K 7.65 3.93 0.00 1.89 1.90 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 32 S 7.87 4.13 0.00 3.90 3.81 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 33 R 7.86 4.31 0.00 1.92 2.07 0.00 3.59 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.06 0.00 34 N 7.92 4.22 0.00 2.88 2.90 0.00 0.00 6.83 7.15 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 35 L 8.15 4.57 0.00 1.76 1.63 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.53 5.39 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 37 K 8.25 4.04 0.00 1.79 1.94 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.45 7.81 38 D 7.68 4.65 0.00 2.53 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 39 R 7.21 3.90 0.00 1.70 1.64 0.00 3.01 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 40 C 8.50 4.96 0.00 3.08 3.12 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 41 K 8.54 4.23 0.00 1.88 1.77 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.38 7.81 42 P 0.00 4.73 0.00 2.19 2.31 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.82 0.00 43 V 7.55 4.98 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 0.81 0.00 0.00 0.97 0.00 0.00 44 N 9.27 4.67 0.00 2.63 2.27 0.00 0.00 6.88 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 45 T 8.00 4.71 2.76 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 0.81 0.00 0.00 46 F 8.93 4.80 0.00 3.02 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 47 V 8.99 4.59 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 1.17 0.00 0.00 1.08 0.00 0.00 48 H 8.87 5.70 0.00 3.12 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.65 4.78 0.00 1.96 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 0.00 2.27 2.29 0.00 50 S 8.36 4.39 0.00 4.07 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 51 L 7.94 3.99 0.00 1.85 1.75 1.02 1.31 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 52 A 8.03 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.01 4.33 0.00 2.85 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 54 V 7.85 3.82 2.20 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 1.27 0.00 0.00 1.06 0.00 0.00 55 Q 8.61 3.89 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 56 A 8.25 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.74 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.86 3.77 0.00 2.82 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 59 S 7.50 4.68 0.00 3.91 3.81 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 60 Q 7.28 4.01 0.00 1.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 1.68 2.13 0.00 61 K 8.21 4.33 0.00 2.10 1.87 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.45 7.81 62 N 8.76 4.26 0.00 2.63 2.61 0.00 0.00 7.00 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 63 V 8.32 4.59 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 0.67 0.00 0.00 0.81 0.00 0.00 64 A 8.41 4.36 1.19 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 65 C 8.65 4.74 0.00 3.11 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 66 K 8.85 3.76 0.00 1.74 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 67 N 8.04 4.53 0.00 2.82 2.91 0.00 0.00 6.23 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 68 G 8.12 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 0.00 0.00 0.00 69 Q 8.50 4.21 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 70 T 8.36 4.74 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 1.19 0.00 0.00 71 N 7.97 5.13 0.00 3.09 3.17 0.00 0.00 6.06 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 72 C 7.51 5.35 0.00 2.78 2.90 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 73 Y 8.95 5.00 0.00 2.81 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 74 Q 9.03 5.04 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 75 S 8.85 4.09 0.00 3.91 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 76 Y 8.67 4.49 0.00 3.04 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 77 S 7.83 5.09 0.00 3.89 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 78 T 8.27 4.20 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 0.99 0.00 0.00 79 M 9.02 5.07 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 80 S 9.65 5.09 0.00 3.88 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 81 I 9.15 5.25 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 1.09 0.00 0.00 82 T 9.00 4.96 4.39 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 0.00 0.00 0.00 1.25 0.00 0.00 83 D 9.25 4.97 0.00 2.79 2.55 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 84 C 9.13 5.62 0.00 2.94 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 85 R 8.91 5.46 0.00 1.81 1.81 0.00 3.17 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 86 E 9.23 4.19 0.00 1.82 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 0.00 1.69 2.07 0.00 87 T 8.26 4.21 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 1.22 0.00 0.00 88 G 8.64 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 89 S 7.41 4.33 0.00 3.91 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 90 S 7.60 4.16 0.00 3.87 3.72 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 91 K 8.72 4.28 0.00 1.80 1.59 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.38 7.81 92 Y 8.75 4.34 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 3.23 0.00 1.72 1.07 0.00 3.63 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 94 N 8.19 4.84 0.00 2.82 2.72 0.00 0.00 7.05 8.30 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 95 C 7.83 4.68 0.00 3.11 3.02 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 96 A 8.36 4.94 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.59 5.15 0.00 2.94 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 98 K 9.29 4.48 0.00 1.84 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 99 T 8.58 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 1.29 0.00 0.00 100 T 8.90 4.54 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 1.23 0.00 0.00 101 Q 8.72 4.82 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 102 A 8.86 4.65 1.23 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 0.00 0.00 103 N 8.68 5.45 0.00 2.61 2.72 0.00 0.00 6.56 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 0.00 104 K 8.88 4.70 0.00 1.71 1.76 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.62 7.81 105 H 9.31 4.95 0.00 3.24 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.66 4.72 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 1.16 0.00 0.00 107 I 8.03 4.90 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.84 0.00 0.00 108 V 8.66 4.79 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 0.75 0.00 0.00 0.81 0.00 0.00 109 A 8.64 5.00 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 0.00 110 C 8.73 5.19 0.00 1.81 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 0.00 0.00 0.00 0.00 111 E 8.65 4.63 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 112 G 9.62 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 0.00 113 N 8.19 5.07 0.00 2.65 2.72 0.00 0.00 6.82 8.02 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 0.00 114 P 0.00 4.30 0.00 2.17 2.06 0.00 3.76 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 1.98 1.95 0.00 115 Y 8.24 4.97 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.95 4.41 1.92 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 0.73 0.00 0.00 0.86 0.00 0.00 117 P 0.00 4.38 0.00 0.49 0.75 0.00 3.28 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 118 V 8.70 4.43 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 0.67 0.00 0.00 0.82 0.00 0.00 119 H 7.91 5.19 0.00 3.10 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.96 4.82 0.00 2.66 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 0.00 121 D 8.53 4.58 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.53 4.60 1.18 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 0.00 0.00 0.00 123 S 8.91 5.19 0.00 4.08 4.10 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 0.00 124 V 8.89 4.15 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 0.96 0.00 0.00 0.95 0.00 0.00