NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3660 8.3044 118.1953 55.2741 32.4610 174.9046 2 S 4.1756 8.1876 113.7371 55.7046 64.0161 172.8947 3 T 4.3187 8.1419 125.3783 62.2388 71.5829 173.3657 4 P 4.2512 0.0000 0.0000 65.9624 31.3399 178.6893 5 A 4.2964 7.9199 121.4704 54.4047 18.5812 179.2147 6 R 3.8331 8.0409 116.8137 59.5891 29.6426 178.3078 7 K 3.9363 8.3407 119.5350 59.4902 32.0553 178.7026 8 R 3.9531 7.9555 118.3218 59.6564 30.2967 178.4767 9 L 3.9600 8.5531 119.0026 58.1082 41.5012 179.5126 10 M 4.3127 8.1537 118.5477 58.0632 31.9266 178.7130 11 R 4.0129 7.7845 118.0692 59.4834 30.1702 178.2085 12 D 4.5188 8.6310 119.1328 57.2643 40.8836 178.6690 13 F 4.6232 8.4995 120.7386 61.4732 39.4234 177.3717 14 K 3.6765 7.9660 117.6772 59.5536 31.7266 179.5926 15 R 3.9515 8.1243 117.9940 58.5905 29.9157 178.8310 16 L 4.1415 7.7008 120.8268 57.9817 41.8927 178.9391 17 Q 3.9683 7.5463 117.1267 58.9657 28.7463 178.3610 18 Q 4.2366 8.1164 117.7188 57.7133 30.0218 175.7742 19 D 4.7550 7.4149 118.0632 51.2673 41.0828 171.7241 20 P 4.7318 0.0000 0.0000 60.0526 33.1117 175.4556 21 P 4.3137 0.0000 0.0000 61.8332 31.9859 175.6733 22 A 4.0932 8.5890 125.1316 54.2868 18.5452 177.9519 23 G 3.9862 9.1028 110.4324 45.3145 0.0000 172.2192 24 I 5.3111 7.8198 120.3214 59.3604 39.7530 175.2812 25 S 4.8760 9.1331 120.7107 56.9505 66.5730 173.1455 26 G 4.7707 8.4690 106.6398 45.7760 0.0000 171.9199 27 A 4.2215 8.9623 121.0154 50.1202 23.0513 174.2537 28 P 4.4946 0.0000 0.0000 61.5338 33.1008 175.9221 29 Q 4.0668 8.3164 120.3238 55.6292 29.1547 177.4516 30 D 4.1196 8.6695 122.3388 56.5686 40.9634 176.9725 31 N 4.6318 7.5483 114.2507 52.0099 38.2345 174.3810 32 N 4.2489 8.4285 114.0816 53.2296 40.8294 174.5903 33 I 3.7705 8.4338 126.7165 63.3072 38.4423 176.2905 34 M 4.5279 8.0356 118.4244 56.1526 33.6413 175.1212 35 L 5.2455 8.2116 121.8138 53.0801 44.8840 175.3687 36 W 5.4421 9.7504 125.6820 55.1411 33.2141 174.1844 37 N 5.6487 9.4939 117.3506 52.1280 42.8573 173.6247 38 A 5.1672 8.9500 121.7607 50.9736 23.7361 175.2168 39 V 5.0422 9.1283 118.7678 61.2533 35.1758 174.4003 40 I 5.2647 9.1110 127.9326 59.6530 40.4923 174.6294 41 F 4.9087 9.5177 126.3673 56.3586 40.1297 176.0739 42 G 4.5678 9.2413 111.2397 45.1616 0.0000 171.7878 43 P 4.7214 0.0000 0.0000 63.0191 32.4441 175.6256 44 D 5.4097 8.6622 119.3032 54.6394 41.5482 175.3252 45 D 4.4917 8.9087 117.9085 55.2886 39.7848 173.2412 46 T 4.8890 7.5683 105.0368 58.9604 72.0539 172.6523 47 P 4.3362 0.0000 0.0000 64.4859 31.5678 177.0345 48 W 4.4516 8.3632 119.1566 57.3510 29.8251 175.6286 49 D 5.1194 7.7092 118.7663 55.5605 40.7871 177.4638 50 G 4.3949 9.4128 115.1039 45.2011 0.0000 173.7220 51 G 3.3549 8.0524 107.2558 46.2676 0.0000 173.0371 52 T 4.2130 7.2394 113.0712 59.2522 69.6076 172.2839 53 F 4.8855 8.7118 128.1440 56.6834 41.1041 175.0029 54 K 4.9273 9.2092 125.1429 55.9062 34.0578 175.2368 55 L 5.0988 8.6820 124.0282 53.4255 47.1265 174.7269 56 S 5.1210 8.7976 115.3659 56.5925 66.2058 172.6749 57 L 4.8460 8.6925 123.8957 52.7356 44.3274 174.9591 58 Q 4.8800 8.3782 125.3978 54.3545 31.1955 174.8344 59 F 4.8690 9.0148 125.7230 55.9550 41.5845 174.5140 60 S 4.8307 8.3052 113.5030 56.4193 65.8201 174.3068 61 E 4.3180 8.7556 117.5507 57.5861 29.3572 177.0400 62 D 4.8965 8.2817 118.4976 53.8936 41.2998 174.8736 63 Y 4.8157 8.0533 119.0536 56.2752 39.0300 173.7926 64 P 4.0730 0.0000 0.0000 62.5822 31.7175 177.4242 65 N 4.5847 8.2148 118.1397 55.5021 38.6515 175.3872 66 K 4.5973 8.0711 118.1625 53.3831 34.5030 174.2209 67 P 3.0351 0.0000 0.0000 61.1475 31.8250 174.2290 68 P 4.0454 0.0000 0.0000 62.8791 32.5383 176.2950 69 T 4.0812 8.4116 119.0627 62.8482 68.9507 173.8284 70 V 4.6411 7.8838 126.5397 61.5093 33.4587 175.0915 71 R 4.8486 8.1649 123.6357 55.0368 35.1258 173.9865 72 F 4.6799 8.9355 121.6670 57.3115 39.3089 176.0962 73 V 4.1145 8.5294 123.6842 64.9183 32.2399 176.8051 74 S 4.5828 8.1889 113.6017 56.9699 64.1729 173.7798 75 R 4.0004 8.5246 122.9572 56.9977 30.3358 175.3218 76 M 4.7559 8.1943 122.6315 53.7942 35.7421 175.5967 77 F 4.5768 8.3456 121.6879 58.0579 40.2176 172.2027 78 H 4.8915 7.9791 125.5977 53.7773 32.9112 172.4822 79 P 4.2196 0.0000 0.0000 65.3633 31.4151 177.5260 80 N 4.8200 8.1107 113.2341 52.5860 38.7434 173.7098 81 I 4.6912 7.1176 119.1334 59.3732 39.6489 175.4234 82 Y 4.2956 8.4822 123.1332 57.3144 38.4357 177.0435 83 A 4.1136 8.7161 123.9481 55.0009 18.4712 178.2823 84 D 4.5803 8.0666 113.0395 53.4901 40.2953 177.2212 85 G 4.1777 8.2194 109.5884 45.1682 0.0000 173.9991 86 S 4.6355 8.8124 115.2902 58.4824 64.5436 173.3081 87 I 4.8079 8.1799 122.0458 59.9106 38.9498 175.8824 88 C 4.5445 8.8988 129.3744 58.2009 30.0817 171.6128 89 L 4.7052 7.9214 124.7797 52.0974 44.3997 175.5182 90 D 4.3063 8.2775 122.9686 58.4672 41.5502 178.0531 91 I 4.1340 7.5879 111.8798 62.2815 37.8818 177.1770 92 L 4.5935 7.5850 120.3878 55.0450 42.0383 176.1721 93 Q 4.4039 7.9027 114.7644 56.8452 30.2494 175.7753 94 N 4.8086 8.1773 115.4979 52.2866 38.9060 175.3852 95 Q 4.7300 8.0218 118.3586 55.1079 29.5458 174.9500 96 W 5.0403 8.3947 127.1977 56.9339 31.6370 175.1333 97 S 4.0918 7.2914 118.2717 55.3129 64.5340 172.8898 98 P 4.2121 0.0000 0.0000 64.1838 31.3761 177.7196 99 I 3.6372 6.5169 117.8888 64.0326 37.1057 176.7565 100 Y 4.2752 6.7212 117.9640 58.2499 38.2038 176.0715 101 D 5.1773 8.5141 123.8813 51.3348 43.5053 177.2379 102 V 3.6407 8.4839 117.4379 66.4350 31.2252 177.5021 103 A 4.0736 8.1701 119.4806 55.2910 18.4026 179.3414 104 A 4.0053 8.4287 119.2350 55.0975 18.2881 180.0426 105 I 3.6589 7.8505 118.5205 64.6440 37.2627 178.6857 106 L 4.0079 8.0168 119.8175 57.8585 41.3902 179.5301 107 T 3.8838 8.0585 115.7705 67.0549 68.5547 176.7497 108 S 4.1037 7.9123 116.3730 61.6368 62.6243 177.0082 109 I 3.7089 7.4888 122.4302 64.1328 36.6098 178.1801 110 Q 3.8918 7.9242 119.5066 59.4436 29.0292 178.3508 111 S 4.2337 7.9819 114.8169 61.3242 63.1138 176.1408 112 L 4.0267 7.7279 123.1543 57.6738 41.4996 178.6252 113 L 3.1632 7.0732 118.5608 57.7291 41.4303 177.9843 114 C 4.7974 7.7044 109.2437 58.6227 30.5023 173.4475 115 D 4.7559 7.5642 118.9283 52.1995 40.7265 172.8669 116 P 4.4007 0.0000 0.0000 62.4942 32.5576 176.9645 117 N 4.7503 9.2439 118.5018 50.8754 38.3730 174.3622 118 P 4.2803 0.0000 0.0000 65.1529 31.4598 176.5096 119 N 4.8234 7.9709 115.5686 52.8557 38.0098 176.1299 120 S 4.6229 7.4685 111.8572 57.6888 64.2811 175.2999 121 P 4.4783 0.0000 0.0000 63.1286 29.4679 176.6226 122 A 3.4538 8.6532 126.1178 53.4727 18.8215 177.8510 123 N 4.7369 7.4965 114.8264 51.4749 40.6157 174.7869 124 S 4.0991 8.3972 124.5824 61.1412 63.2452 175.8981 125 E 3.9040 8.1995 122.3030 59.1625 29.5884 178.5110 126 A 3.7887 8.1062 120.6173 54.6984 18.1733 179.4632 127 A 3.8582 7.9933 119.3817 55.2648 18.4393 179.6946 128 R 3.7770 7.8236 117.0042 59.9565 30.3174 178.1757 129 M 4.0471 8.0618 117.8860 58.9740 31.9313 177.5158 130 Y 3.6747 7.8779 118.8812 60.3708 39.0025 177.6763 131 S 4.0195 7.5772 113.0045 60.6670 63.5853 175.2958 132 E 4.4229 8.3744 123.0442 56.4453 30.0464 176.9625 133 S 4.4814 7.9025 120.7248 55.4246 63.9685 174.6387 134 K 4.0299 8.4640 128.7080 59.2537 31.3717 177.9750 135 R 3.9160 7.9044 118.7087 59.7536 30.1530 177.9070 136 E 4.1152 8.3860 118.3228 58.9516 29.3964 178.6618 137 Y 4.2032 8.0279 119.4239 60.9250 39.0036 177.4181 138 N 4.0021 8.4263 117.4901 56.1274 38.2327 177.3600 139 R 3.7358 7.5280 118.8658 59.5904 29.9752 178.9240 140 R 3.5487 7.6387 117.7183 58.7537 29.9754 179.3075 141 V 3.0357 7.4755 118.5087 65.8007 31.3784 178.0991 142 R 3.7216 7.7029 117.8724 59.3624 29.7418 178.7990 143 D 4.1673 7.3763 117.9880 57.5419 40.6993 179.3321 144 V 3.6151 7.1980 111.0153 63.8412 31.1925 178.9586 145 V 3.3928 7.0874 117.5128 65.8298 31.4666 177.6072 146 E 3.0995 7.7179 118.5674 58.8214 29.3180 178.8079 147 Q 4.1728 8.0972 116.7498 57.8277 28.7525 177.9152 148 S 4.3105 7.2437 115.7464 60.6216 63.3109 175.4673 149 W 4.4854 7.3635 122.1300 59.6363 29.1568 176.2734 150 T 4.1834 7.5174 117.7616 63.7922 67.8559 174.2458 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 M 8.30 4.37 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 S 8.19 4.18 0.00 3.88 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 3 T 8.14 4.32 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 1.38 0.00 0.00 4 P 0.00 4.25 0.00 2.29 2.33 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 5 A 7.92 4.30 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.83 0.00 1.92 2.22 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 7 K 8.34 3.94 0.00 2.06 2.00 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 8 R 7.96 3.95 0.00 2.23 2.22 0.00 3.55 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 9 L 8.55 3.96 0.00 1.89 1.75 0.68 -0.74 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 10 M 8.15 4.31 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.81 0.00 11 R 7.78 4.01 0.00 1.98 2.18 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 12 D 8.63 4.52 0.00 3.09 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 13 F 8.50 4.62 0.00 3.35 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 14 K 7.97 3.68 0.00 1.84 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.88 7.81 15 R 8.12 3.95 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 16 L 7.70 4.14 0.00 2.05 1.84 1.32 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.55 3.97 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 1.77 1.47 0.00 18 Q 8.12 4.24 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.14 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 19 D 7.41 4.75 0.00 2.63 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 20 P 0.00 4.73 0.00 2.24 2.17 0.00 3.42 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 21 P 0.00 4.31 0.00 2.25 2.04 0.00 3.68 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 2.16 2.12 0.00 22 A 8.59 4.09 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 23 G 9.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.82 5.31 2.07 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 1.39 0.83 1.01 0.00 0.00 25 S 9.13 4.88 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.47 4.77 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 0.00 0.00 0.00 27 A 8.96 4.22 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 28 P 0.00 4.49 0.00 1.59 0.67 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.00 29 Q 8.32 4.07 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 30 D 8.67 4.12 0.00 2.57 2.69 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 31 N 7.55 4.63 0.00 2.79 2.87 0.00 0.00 5.84 8.04 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 32 N 8.43 4.25 0.00 2.67 2.70 0.00 0.00 6.80 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 33 I 8.43 3.77 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.93 0.00 0.00 34 M 8.04 4.53 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 35 L 8.21 5.25 0.00 1.90 1.56 0.98 0.81 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 36 W 9.75 5.44 0.00 3.41 3.20 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 37 N 9.49 5.65 0.00 2.66 2.68 0.00 0.00 7.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.95 5.17 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 39 V 9.13 5.04 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 0.93 0.00 0.00 0.97 0.00 0.00 40 I 9.11 5.26 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 1.06 0.00 0.00 41 F 9.52 4.91 0.00 2.92 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 42 G 9.24 4.57 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 43 P 0.00 4.72 0.00 2.23 2.30 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 44 D 8.66 5.41 0.00 2.75 2.70 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 0.00 0.00 0.00 45 D 8.91 4.49 0.00 2.80 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 0.00 46 T 7.57 4.89 4.51 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 1.42 0.00 0.00 47 P 0.00 4.34 0.00 1.85 2.14 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.04 0.00 48 W 8.36 4.45 0.00 3.56 3.43 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 49 D 7.71 5.12 0.00 2.86 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 50 G 9.41 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 0.00 0.00 0.00 0.00 51 G 8.05 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.24 4.21 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 0.59 0.00 0.00 53 F 8.71 4.89 0.00 3.19 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 54 K 9.21 4.93 0.00 1.96 1.75 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.50 7.81 55 L 8.68 5.10 0.00 1.53 1.24 0.81 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.80 5.12 0.00 3.84 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 57 L 8.69 4.85 0.00 1.60 0.88 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.38 4.88 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 59 F 9.01 4.87 0.00 2.74 2.69 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 60 S 8.31 4.83 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.76 4.32 0.00 2.02 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 0.00 2.35 2.26 0.00 62 D 8.28 4.90 0.00 2.77 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 63 Y 8.05 4.82 0.00 3.15 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 64 P 0.00 4.07 0.00 2.04 1.45 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 65 N 8.21 4.58 0.00 2.94 2.99 0.00 0.00 6.87 7.61 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 66 K 8.07 4.60 0.00 1.78 1.62 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.49 7.81 67 P 0.00 3.04 0.00 1.46 0.49 0.00 3.48 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 68 P 0.00 4.05 0.00 1.06 0.49 0.00 2.98 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 69 T 8.41 4.08 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 1.10 0.00 0.00 70 V 7.88 4.64 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 0.55 0.00 0.00 0.74 0.00 0.00 71 R 8.16 4.85 0.00 1.73 1.74 0.00 3.13 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 72 F 8.94 4.68 0.00 3.02 3.18 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 73 V 8.53 4.11 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 0.81 0.00 0.00 0.95 0.00 0.00 74 S 8.19 4.58 0.00 4.22 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 75 R 8.52 4.00 0.00 1.83 1.91 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 76 M 8.19 4.76 0.00 1.63 1.66 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 2.15 0.00 77 F 8.35 4.58 0.00 2.86 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 78 H 7.98 4.89 0.00 3.18 2.89 0.00 5.74 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 79 P 0.00 4.22 0.00 1.94 1.93 0.00 2.99 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 1.66 1.99 0.00 80 N 8.11 4.82 0.00 2.73 2.90 0.00 0.00 6.92 7.27 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 81 I 7.12 4.69 1.72 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.92 0.00 0.00 82 Y 8.48 4.30 0.00 3.16 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 83 A 8.72 4.11 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 84 D 8.07 4.58 0.00 2.81 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 85 G 8.22 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 0.00 0.00 0.00 0.00 86 S 8.81 4.64 0.00 3.94 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 87 I 8.18 4.81 1.88 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 1.45 0.92 0.97 0.00 0.00 88 C 8.90 4.54 0.00 2.86 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 89 L 7.92 4.71 0.00 1.69 1.43 0.88 1.04 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 90 D 8.28 4.31 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 4.13 1.59 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.73 0.00 0.00 92 L 7.58 4.59 0.00 1.70 1.71 0.92 0.71 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 93 Q 7.90 4.40 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 94 N 8.18 4.81 0.00 2.88 3.01 0.00 0.00 5.83 7.39 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 95 Q 8.02 4.73 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 96 W 8.39 5.04 0.00 3.56 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 97 S 7.29 4.09 0.00 3.26 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 98 P 0.00 4.21 0.00 1.86 1.97 0.00 3.45 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.13 0.00 99 I 6.52 3.64 1.33 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 0.75 0.00 0.00 100 Y 6.72 4.28 0.00 2.56 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 0.00 101 D 8.51 5.18 0.00 3.13 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 0.00 102 V 8.48 3.64 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 1.05 0.00 0.00 0.51 0.00 0.00 103 A 8.17 4.07 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.43 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.66 2.12 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.87 0.00 0.00 106 L 8.02 4.01 0.00 1.72 1.76 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.06 3.88 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 108 S 7.91 4.10 0.00 3.96 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 0.00 109 I 7.49 3.71 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.91 0.00 0.00 110 Q 7.92 3.89 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 111 S 7.98 4.23 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.73 4.03 0.00 1.86 1.78 0.95 0.52 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 0.00 113 L 7.07 3.16 0.00 1.26 0.20 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 114 C 7.70 4.80 0.00 3.26 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.56 4.76 0.00 2.61 2.70 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 0.00 0.00 0.00 116 P 0.00 4.40 0.00 1.79 1.52 0.00 3.59 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 1.07 0.74 0.00 117 N 9.24 4.75 0.00 2.67 2.79 0.00 0.00 7.02 8.07 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 0.00 118 P 0.00 4.28 0.00 2.19 2.28 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 119 N 7.97 4.82 0.00 2.85 2.94 0.00 0.00 5.83 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.47 4.62 0.00 3.73 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 0.00 121 P 0.00 4.48 0.00 2.00 1.98 0.00 3.65 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 2.00 2.22 0.00 122 A 8.65 3.45 0.18 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 N 7.50 4.74 0.00 2.75 2.57 0.00 0.00 6.96 7.63 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 0.00 124 S 8.40 4.10 0.00 4.08 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 0.00 125 E 8.20 3.90 0.00 2.11 2.19 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 2.57 2.46 0.00 126 A 8.11 3.79 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.86 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 0.00 128 R 7.82 3.78 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 129 M 8.06 4.05 0.00 2.47 2.45 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 130 Y 7.88 3.67 0.00 2.39 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 0.00 131 S 7.58 4.02 0.00 3.91 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 0.00 132 E 8.37 4.42 0.00 1.93 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 0.00 2.45 2.44 0.00 133 S 7.90 4.48 0.00 4.07 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 0.00 134 K 8.46 4.03 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.86 1.57 7.81 135 R 7.90 3.92 0.00 1.93 1.91 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 136 E 8.39 4.12 0.00 2.12 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 2.32 2.31 0.00 137 Y 8.03 4.20 0.00 3.29 3.20 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 0.00 138 N 8.43 4.00 0.00 2.84 2.78 0.00 0.00 6.72 7.20 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 0.00 139 R 7.53 3.74 0.00 1.97 2.04 0.00 3.05 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 140 R 7.64 3.55 0.00 1.52 0.66 0.00 2.92 0.00 0.00 2.82 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 141 V 7.48 3.04 1.41 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 -0.88 0.00 0.00 -0.36 0.00 0.00 142 R 7.70 3.72 0.00 1.98 1.84 0.00 3.32 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 143 D 7.38 4.17 0.00 2.71 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 0.00 144 V 7.20 3.62 2.35 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 0.73 0.00 0.00 1.00 0.00 0.00 145 V 7.09 3.39 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 0.25 0.00 0.00 1.02 0.00 0.00 146 E 7.72 3.10 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.10 0.00 147 Q 8.10 4.17 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 148 S 7.24 4.31 0.00 3.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 W 7.36 4.49 0.00 3.57 3.09 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 0.00 150 T 7.52 4.18 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 1.25 0.00 0.00