NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 M 4.4360 8.3044 118.1954 55.3842 32.0149 173.7750 23 T 4.3347 7.4163 115.0794 61.5970 71.0056 172.9063 24 T 3.1282 8.2596 125.8776 64.8155 67.8246 171.8710 25 S 4.9766 8.3108 124.8898 58.9179 64.5026 177.7602 26 K 3.7300 8.2371 121.5247 57.8238 32.1881 174.2428 27 E 3.5703 8.9332 125.7656 56.5111 27.9216 172.9785 28 R 4.7261 7.8555 123.7320 55.9436 34.2387 173.7760 29 H 4.6737 7.7166 114.7737 56.1625 32.5982 173.2264 30 S 4.5506 7.4341 115.9715 56.4805 64.9264 177.7908 31 V 3.6525 8.1811 126.6210 66.5737 31.3900 178.5651 32 S 3.9573 8.1803 114.1575 61.3364 62.7709 176.5763 33 K 3.9513 7.8264 121.9313 59.4361 32.1045 178.7489 34 R 3.9290 8.0342 119.0166 59.4810 29.9760 178.4353 35 L 3.9782 8.1539 119.0329 57.7935 41.5486 179.6096 36 Q 3.9701 8.0054 117.6222 59.1093 28.7227 178.6051 37 Q 4.0294 8.0257 120.1667 59.2108 29.0334 178.1158 38 E 4.2289 8.3525 121.1621 58.5417 29.4275 178.8708 39 L 4.0521 8.3333 120.4238 57.5058 42.0429 179.3031 40 R 3.9547 7.8836 118.6102 59.4231 29.7386 178.7249 41 T 4.0057 7.9243 109.5449 64.8068 67.9354 176.0092 42 L 3.9474 7.9787 122.9607 58.0545 42.0442 178.7208 43 L 3.9929 7.4698 119.0246 58.4202 42.0717 178.5794 44 M 4.2490 8.3970 118.4352 58.2148 31.9818 178.4525 45 S 4.2619 8.0622 114.8866 59.6549 63.9716 174.8680 46 G 3.8453 7.6513 106.7062 46.5165 0.0000 173.8845 47 D 4.5343 7.6806 118.7165 52.6633 42.0257 175.0649 48 P 4.2429 0.0000 0.0000 64.2521 31.8059 176.4162 49 G 4.0114 9.1016 109.0593 46.6602 0.0000 172.1485 50 I 5.1687 7.4802 118.9136 59.6114 40.5172 175.1888 51 T 4.6634 8.8457 121.9632 62.1344 73.2652 172.9044 52 A 4.8606 7.4276 123.9174 51.1965 22.2647 175.6238 53 F 4.4944 8.6082 119.5038 55.0711 44.3187 172.6310 54 P 4.5684 0.0000 0.0000 62.7284 31.6700 177.0404 55 D 4.5199 9.4840 122.1396 55.4317 41.5590 178.7093 56 G 4.5405 6.7351 112.3123 45.6161 0.0000 172.1239 57 D 4.5877 8.2544 124.0565 52.7386 41.3905 176.5879 58 N 4.7687 7.9698 119.2493 52.3716 39.1378 174.1523 59 L 4.3445 8.7140 127.7145 56.8987 42.8419 176.7422 60 F 4.5968 8.4651 116.0765 57.5778 40.3401 175.1316 61 K 5.0124 8.2756 121.6051 55.3769 34.7881 174.8183 62 W 5.4593 9.6567 128.2273 55.1177 32.6768 175.2414 63 V 4.8690 8.8173 121.3128 61.2419 33.6047 174.4232 64 A 5.3092 8.9895 128.9958 50.4695 22.9113 174.7759 65 T 5.1140 9.0269 115.2651 61.8277 72.6341 173.4049 66 L 5.3475 9.1258 125.3715 53.1562 45.4345 175.5002 67 D 5.1036 9.4164 124.7107 53.2023 42.4685 176.4383 68 G 4.6698 9.5086 110.6046 45.1255 0.0000 171.7758 69 P 4.5543 0.0000 0.0000 62.4943 31.8516 176.4210 70 K 4.2023 8.3985 119.4311 57.6749 32.6493 176.2640 71 D 4.5451 9.2174 119.8850 55.5567 38.7641 173.7784 72 T 4.8452 7.5037 107.1539 60.0000 72.0758 174.5901 73 V 3.8372 8.4624 113.8481 63.6472 31.8214 176.8808 74 Y 4.4545 8.1139 116.7228 57.8502 38.2530 175.0695 75 E 4.2915 7.8222 122.0068 57.5351 30.0622 177.0935 76 S 4.3201 8.9681 119.3671 57.9659 62.2227 168.7252 77 L 4.1161 7.4051 121.1444 53.5033 43.3487 175.2730 78 K 5.0882 8.6871 123.5739 54.8650 34.9758 174.8434 79 Y 5.0346 9.2071 123.9121 56.2638 41.8600 174.5221 80 K 5.1366 9.2942 122.9268 55.0878 34.9260 175.4572 81 L 5.2747 8.9734 122.9378 53.4296 47.0212 175.0446 82 T 5.0938 8.7258 109.0582 60.0589 72.4826 173.1761 83 L 4.6225 8.8933 123.2077 53.0971 45.1951 175.3722 84 E 4.7900 8.3874 124.8505 54.4959 31.3581 175.5807 85 F 4.4328 8.6433 125.4228 55.5282 39.4947 174.6031 86 P 4.5681 0.0000 0.0000 62.2393 31.8845 177.1334 87 S 4.4501 8.5797 112.1107 60.1245 63.2789 174.4225 88 D 4.8662 8.0161 120.2998 54.1931 41.6435 175.4986 89 Y 4.3979 7.6212 120.9282 57.8461 39.2761 174.0123 90 P 3.2350 0.0000 0.0000 62.6886 31.4516 176.4513 91 Y 4.7637 7.2092 115.1701 58.8234 38.0145 175.2893 92 K 4.6973 7.6739 120.4980 53.7434 35.5011 173.8249 93 P 2.9700 0.0000 0.0000 61.0073 32.0551 174.1875 94 P 4.1199 0.0000 0.0000 62.4894 32.7155 175.8050 95 V 3.7987 8.0989 121.3577 61.9680 32.3412 174.6673 96 V 4.6342 8.0341 128.5500 61.1921 32.8727 175.0004 97 K 4.8812 8.5143 126.3850 54.5754 36.7686 175.4006 98 F 4.7547 9.1616 122.9288 57.5399 39.7067 176.5818 99 T 4.3998 9.2387 113.7648 63.5318 70.2966 175.4105 100 T 4.4104 8.1013 118.9175 61.7120 69.3813 173.4542 101 P 4.1998 0.0000 0.0000 63.2932 31.8122 175.2371 102 C 4.6479 8.4791 122.4815 57.0720 32.4923 173.4387 103 W 4.5082 8.9794 135.0000 57.2534 29.8608 174.6251 104 H 4.8768 7.9949 123.4735 54.6028 32.4524 172.3099 105 P 4.2052 0.0000 0.0000 65.5528 31.4394 177.5412 106 N 4.9433 8.0726 113.3227 52.6681 38.8123 174.1262 107 V 4.8110 7.5837 117.6646 61.0854 34.5791 174.9983 108 D 4.8078 8.4195 126.7837 51.5862 41.2207 177.2133 109 Q 4.1181 8.4917 116.4054 59.0362 28.5478 177.4560 110 S 4.2966 8.1642 112.8040 59.1819 63.4015 174.9031 111 G 4.2095 8.1892 109.1651 46.1452 0.0000 173.4158 112 N 4.7369 8.6936 118.1700 53.3045 39.1748 173.9096 113 I 4.8931 8.0760 121.4665 59.7768 40.4007 175.1403 114 C 4.6338 8.7154 126.2482 57.5959 32.3919 172.2949 115 L 4.6900 8.0002 126.9558 52.4806 45.0033 176.2057 116 D 4.4289 9.1608 126.7662 57.7354 41.0625 179.2050 117 I 3.9856 7.8440 112.2658 63.3507 37.2463 176.8625 118 L 4.5576 7.5255 118.5813 53.2426 42.3813 176.0051 119 K 4.6852 8.7898 119.5897 55.9941 31.4506 179.2472 120 E 4.0960 9.5452 115.9751 58.8518 29.4054 177.2285 121 N 4.7289 8.0977 114.4740 52.7652 39.2014 174.9756 122 W 4.6349 8.3377 129.2623 57.1643 31.4189 175.2507 123 T 4.0495 6.5277 113.5414 59.3283 70.9176 174.4322 124 A 4.1577 8.3851 126.1614 53.1832 18.3920 178.0416 125 S 4.2316 7.0809 109.3029 58.8040 63.8314 173.9919 126 Y 4.6754 6.8815 119.6553 57.1075 38.9360 174.2833 127 D 5.5927 8.1702 120.9839 51.4074 42.6225 176.4359 128 V 3.7115 8.6354 117.1424 66.1917 31.1965 178.4482 129 R 3.9139 8.1640 118.2692 59.6660 29.9053 178.4053 130 T 3.7942 8.7400 115.8169 66.6560 68.3750 176.4705 131 I 3.6498 7.4520 121.5936 64.6458 37.2029 178.5990 132 L 3.9536 8.1123 119.6882 57.5989 41.5060 179.6688 133 L 3.9961 8.2439 119.3803 57.7666 41.6043 179.6450 134 S 4.0449 8.3478 115.5273 61.5047 62.3931 176.5266 135 L 3.8676 8.1052 123.2937 58.0896 41.5823 178.6225 136 Q 3.9471 7.8016 118.4790 59.5350 29.1428 178.4272 137 S 4.2581 8.0135 115.7019 61.1956 62.8861 176.3217 138 L 3.9822 7.8348 123.2284 57.7760 41.4579 178.8489 139 L 3.3920 7.1927 118.1485 57.3857 41.4818 178.4358 140 G 4.1866 7.6097 104.2511 46.1626 0.0000 173.7036 141 E 4.5809 7.5042 118.6505 53.8750 29.6445 173.2207 142 P 4.3605 0.0000 0.0000 62.1667 32.9434 177.0043 143 N 4.6714 8.5796 116.4408 51.6989 38.7332 174.9923 144 N 4.3833 8.3295 118.9030 53.2543 38.2190 177.0548 145 A 3.9245 6.6662 120.4703 54.4061 18.7770 178.5271 146 S 4.5989 7.3876 117.7321 55.1202 63.7429 172.0414 147 P 4.5217 0.0000 0.0000 62.1420 31.9718 176.9984 148 L 4.1266 8.5472 122.0583 56.2477 42.1838 177.1329 149 N 4.7357 7.6348 115.6293 50.8421 40.2277 173.9678 150 A 4.0146 8.3018 130.0827 54.7980 18.7362 179.0069 151 Q 4.0005 8.1202 116.2461 59.0585 29.0293 178.5320 152 A 3.1658 7.8869 121.6095 54.6188 18.0469 179.4469 153 A 4.3789 7.5791 119.5789 54.9801 18.3294 179.3244 154 D 4.5020 8.3221 117.4237 57.6486 41.0010 178.2112 155 M 4.1629 8.2771 117.0183 56.7975 32.1915 177.6006 156 W 3.8630 8.1117 127.6425 60.8591 30.8473 177.4329 157 S 4.4549 7.7103 112.7666 59.1811 63.0701 173.5617 158 N 4.7511 7.9270 121.5374 51.3713 39.0519 174.4972 159 Q 3.7979 8.1596 125.3209 58.4035 28.6890 178.5694 160 T 3.8367 7.8009 116.8325 66.6152 68.7272 176.3919 161 E 3.9467 8.3405 120.9229 59.0484 29.4994 178.1484 162 Y 4.0592 8.2233 119.8460 60.6860 38.9553 177.8835 163 K 4.0213 8.1165 120.5050 59.4190 32.1266 178.8705 164 K 3.8551 7.7392 118.8344 59.3883 32.0380 179.5604 165 V 3.2451 7.6453 118.4200 65.6072 31.3706 177.4492 166 L 3.7072 7.8100 120.4433 58.8516 41.9388 178.9362 167 H 4.2226 8.2853 115.6276 58.3994 28.4362 177.5149 168 E 3.8319 7.8941 121.1857 59.2311 29.5471 178.8290 169 K 3.7990 7.8835 118.3921 59.5773 31.6530 178.6049 170 Y 4.0213 8.1242 119.6481 60.8628 38.8113 178.5480 171 K 4.0603 8.1709 119.2363 59.6480 32.0650 179.5931 172 T 4.0168 8.4393 117.5417 65.6960 68.1067 176.8163 173 A 3.9512 8.1798 122.6784 55.0406 18.4084 179.4496 174 Q 3.9773 7.3267 114.9373 59.0113 28.6913 178.7656 175 S 4.2317 7.9032 114.8339 60.7625 63.0868 174.2478 176 D 4.6916 7.9714 121.3453 52.3722 42.6286 176.4107 177 K 4.1339 8.1986 119.9487 56.9040 32.5539 175.5380 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 22 M 8.30 4.44 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 23 T 7.42 4.33 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 24 T 8.26 3.13 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 1.25 0.00 0.00 25 S 8.31 4.98 0.00 3.95 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 26 K 8.24 3.73 0.00 1.77 1.81 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 27 E 8.93 3.57 0.00 2.07 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 0.00 2.21 2.26 0.00 28 R 7.86 4.73 0.00 1.80 1.84 0.00 3.31 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 29 H 7.72 4.67 0.00 3.07 3.19 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.43 4.55 0.00 3.85 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.18 3.65 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 1.13 0.00 0.00 1.19 0.00 0.00 32 S 8.18 3.96 0.00 3.96 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 33 K 7.83 3.95 0.00 1.83 2.00 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 34 R 8.03 3.93 0.00 2.03 2.11 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 35 L 8.15 3.98 0.00 1.70 1.68 -0.07 -0.13 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 36 Q 8.01 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 37 Q 8.03 4.03 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 38 E 8.35 4.23 0.00 2.39 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 0.00 2.43 2.44 0.00 39 L 8.33 4.05 0.00 1.77 1.77 0.05 0.55 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 40 R 7.88 3.95 0.00 2.11 1.96 0.00 3.20 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 41 T 7.92 4.01 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 42 L 7.98 3.95 0.00 2.02 1.88 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.47 3.99 0.00 1.71 1.94 1.10 1.39 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 44 M 8.40 4.25 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.94 0.00 45 S 8.06 4.26 0.00 4.05 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 46 G 7.65 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 47 D 7.68 4.53 0.00 2.73 2.61 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 48 P 0.00 4.24 0.00 2.20 2.09 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 49 G 9.10 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 0.00 0.00 0.00 50 I 7.48 5.17 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.90 0.00 0.00 51 T 8.85 4.66 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 1.14 0.00 0.00 52 A 7.43 4.86 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 53 F 8.61 4.49 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 54 P 0.00 4.57 0.00 2.09 2.10 0.00 3.43 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.44 0.00 55 D 9.48 4.52 0.00 2.82 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 56 G 6.74 4.54 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 0.00 57 D 8.25 4.59 0.00 2.79 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 58 N 7.97 4.77 0.00 2.79 2.90 0.00 0.00 6.96 7.78 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 59 L 8.71 4.34 0.00 1.69 1.77 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.47 4.60 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.28 5.01 0.00 2.04 1.79 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 62 W 9.66 5.46 0.00 3.34 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.82 4.87 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 64 A 8.99 5.31 1.24 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 0.00 0.00 0.00 65 T 9.03 5.11 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 1.28 0.00 0.00 66 L 9.13 5.35 0.00 1.70 1.63 0.92 1.27 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 67 D 9.42 5.10 0.00 2.63 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 68 G 9.51 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.55 0.00 2.26 2.22 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 70 K 8.40 4.20 0.00 1.81 1.82 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.50 7.81 71 D 9.22 4.55 0.00 2.89 2.83 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 0.00 0.00 0.00 72 T 7.50 4.85 4.53 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 1.39 0.00 0.00 73 V 8.46 3.84 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 0.75 0.00 0.00 1.00 0.00 0.00 74 Y 8.11 4.45 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.82 4.29 0.00 2.22 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 0.00 2.36 2.31 0.00 76 S 8.97 4.32 0.00 4.17 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 77 L 7.41 4.12 0.00 1.78 0.89 0.69 -0.36 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 78 K 8.69 5.09 0.00 1.74 1.69 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.67 7.81 79 Y 9.21 5.03 0.00 3.21 3.27 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 80 K 9.29 5.14 0.00 1.79 1.77 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 81 L 8.97 5.27 0.00 1.42 1.41 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.73 5.09 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 1.23 0.00 0.00 83 L 8.89 4.62 0.00 1.24 0.63 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.39 4.79 0.00 1.73 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 85 F 8.64 4.43 0.00 2.67 2.60 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 0.00 86 P 0.00 4.57 0.00 2.27 2.19 0.00 3.63 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 2.20 2.07 0.00 87 S 8.58 4.45 0.00 4.05 4.04 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 88 D 8.02 4.87 0.00 2.92 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 89 Y 7.62 4.40 0.00 3.04 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 90 P 0.00 3.23 0.00 1.71 1.27 0.00 2.62 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 0.82 1.42 0.00 91 Y 7.21 4.76 0.00 3.24 3.08 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 92 K 7.67 4.70 0.00 1.74 1.68 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.39 7.81 93 P 0.00 2.97 0.00 1.63 0.93 0.00 3.60 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 1.67 1.81 0.00 94 P 0.00 4.12 0.00 1.06 0.74 0.00 2.88 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 95 V 8.10 3.80 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 0.83 0.00 0.00 0.80 0.00 0.00 96 V 8.03 4.63 1.88 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 0.59 0.00 0.00 0.71 0.00 0.00 97 K 8.51 4.88 0.00 1.65 1.62 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.33 7.81 98 F 9.16 4.75 0.00 2.98 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 99 T 9.24 4.40 4.30 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 1.25 0.00 0.00 100 T 8.10 4.41 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 101 P 0.00 4.20 0.00 2.11 2.10 0.00 3.64 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 2.05 2.15 0.00 102 C 8.48 4.65 0.00 1.86 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 0.00 0.00 0.00 103 W 8.98 4.51 0.00 3.29 3.28 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 0.00 104 H 7.99 4.88 0.00 3.05 2.87 0.00 5.79 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.21 0.00 1.82 1.97 0.00 2.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 0.00 106 N 8.07 4.94 0.00 2.74 2.92 0.00 0.00 6.50 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 0.00 107 V 7.58 4.81 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 0.80 0.00 0.00 0.74 0.00 0.00 108 D 8.42 4.81 0.00 2.97 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 0.00 109 Q 8.49 4.12 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 110 S 8.16 4.30 0.00 4.19 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 0.00 111 G 8.19 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.69 4.74 0.00 3.17 2.75 0.00 0.00 6.76 8.03 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 0.00 113 I 8.08 4.89 1.84 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 1.51 0.85 0.97 0.00 0.00 114 C 8.72 4.63 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 0.00 115 L 8.00 4.69 0.00 1.71 1.40 0.86 1.17 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 0.00 116 D 9.16 4.43 0.00 2.73 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 0.00 117 I 7.84 3.99 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 0.73 0.00 0.00 118 L 7.53 4.56 0.00 1.83 1.68 0.82 0.56 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 0.00 119 K 8.79 4.69 0.00 1.73 0.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.34 7.81 120 E 9.55 4.10 0.00 2.15 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 0.00 2.32 2.31 0.00 121 N 8.10 4.73 0.00 3.02 3.04 0.00 0.00 6.86 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 0.00 122 W 8.34 4.63 0.00 3.59 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 0.00 123 T 6.53 4.05 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 0.85 0.00 0.00 124 A 8.39 4.16 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 0.00 125 S 7.08 4.23 0.00 3.81 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 0.00 126 Y 6.88 4.68 0.00 2.21 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 5.59 0.00 3.10 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 0.00 128 V 8.64 3.71 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 1.21 0.00 0.00 0.79 0.00 0.00 129 R 8.16 3.91 0.00 1.97 2.17 0.00 3.26 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 130 T 8.74 3.79 4.33 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 0.82 0.00 0.00 131 I 7.45 3.65 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.11 0.83 0.00 0.00 132 L 8.11 3.95 0.00 1.69 1.70 0.97 0.53 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 0.00 133 L 8.24 4.00 0.00 1.72 1.68 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.35 4.04 0.00 3.92 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 0.00 135 L 8.11 3.87 0.00 1.76 1.61 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.80 3.95 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 137 S 8.01 4.26 0.00 4.05 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 0.00 138 L 7.83 3.98 0.00 1.80 1.71 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.19 3.39 0.00 1.49 0.66 0.67 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.61 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 0.00 0.00 0.00 0.00 141 E 7.50 4.58 0.00 2.04 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 2.25 2.35 0.00 142 P 0.00 4.36 0.00 1.55 1.23 0.00 3.07 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.00 143 N 8.58 4.67 0.00 2.66 2.71 0.00 0.00 7.46 6.24 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 0.00 144 N 8.33 4.38 0.00 2.70 2.79 0.00 0.00 6.90 7.80 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 0.00 145 A 6.67 3.92 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 0.00 146 S 7.39 4.60 0.00 3.80 3.77 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 0.00 147 P 0.00 4.52 0.00 1.98 1.96 0.00 3.64 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 1.98 2.03 0.00 148 L 8.55 4.13 0.00 1.57 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 149 N 7.63 4.74 0.00 2.76 2.53 0.00 0.00 7.12 7.75 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 0.00 150 A 8.30 4.01 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 0.00 151 Q 8.12 4.00 0.00 2.50 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 152 A 7.89 3.17 0.29 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 0.00 153 A 7.58 4.38 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 0.00 154 D 8.32 4.50 0.00 2.82 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 0.00 155 M 8.28 4.16 0.00 2.63 2.42 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 2.79 2.88 0.00 156 W 8.11 3.86 0.00 3.47 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 0.00 157 S 7.71 4.45 0.00 4.03 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 0.00 158 N 7.93 4.75 0.00 2.73 2.77 0.00 0.00 7.03 6.68 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 0.00 159 Q 8.16 3.80 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.71 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 160 T 7.80 3.84 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 1.18 0.00 0.00 161 E 8.34 3.95 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 162 Y 8.22 4.06 0.00 3.42 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 0.00 163 K 8.12 4.02 0.00 1.95 1.74 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.28 7.81 164 K 7.74 3.86 0.00 1.94 1.76 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.55 7.81 165 V 7.65 3.25 1.53 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 -0.19 0.00 0.00 0.81 0.00 0.00 166 L 7.81 3.71 0.00 1.71 1.86 1.12 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 167 H 8.29 4.22 0.00 3.24 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 E 7.89 3.83 0.00 2.01 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 2.19 2.27 0.00 169 K 7.88 3.80 0.00 1.79 1.74 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.19 7.81 170 Y 8.12 4.02 0.00 3.17 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 0.00 171 K 8.17 4.06 0.00 2.08 1.84 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.79 7.81 172 T 8.44 4.02 4.30 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 1.22 0.00 0.00 173 A 8.18 3.95 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 0.00 174 Q 7.33 3.98 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 175 S 7.90 4.23 0.00 4.05 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 0.00 176 D 7.97 4.69 0.00 2.71 2.65 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 0.00 177 K 8.20 4.13 0.00 1.62 1.60 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.45 7.81