NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3211 8.2649 123.5828 51.3075 19.1217 176.0628 3 R 3.9025 8.1796 120.9106 58.2186 31.2288 175.7210 4 R 4.2280 8.6871 115.7822 56.3096 32.2217 178.5450 5 R 4.1325 7.8549 114.7482 56.6960 30.9962 178.4143 6 R 5.0728 9.3994 134.3735 63.4363 31.5814 175.9643 7 A 3.5036 7.0397 116.4992 52.9763 15.9475 177.0626 8 E 4.2986 8.5502 125.4333 55.2942 28.8376 174.8253 9 V 3.3103 7.3712 123.4422 61.8777 32.0536 176.4301 10 R 4.4251 8.3007 126.4609 56.0874 29.1626 175.2365 11 Q 4.6370 8.1499 121.1281 56.2185 32.0281 174.1331 12 L 4.8566 8.0199 120.3471 53.2412 45.5982 177.6275 13 Q 4.2836 8.9808 122.3319 54.7220 27.2257 172.7346 14 P 4.0288 0.0000 0.0000 60.2754 35.9330 175.6635 15 D 4.2334 8.5305 117.3133 54.7570 41.1005 177.2982 16 L 4.6616 8.4572 127.6712 54.8070 41.7281 177.7315 17 V 4.4254 7.7567 115.0503 64.1608 36.3448 173.7204 18 Y 4.5084 8.8422 114.5359 58.3655 41.2004 175.0869 19 G 3.9468 8.3318 106.5155 46.1563 0.0000 172.6819 20 D 4.7685 7.9722 119.5193 52.6920 42.2539 177.6136 21 V 3.6402 8.5610 120.3160 64.5195 31.5014 177.9706 22 L 4.0057 8.3493 119.5675 58.3913 41.6411 179.0026 23 V 3.5346 7.7744 117.8376 66.1642 31.3268 177.7860 24 T 3.7085 7.8541 114.6700 67.1341 68.3174 175.2664 25 A 4.0185 8.2164 121.9334 55.6024 18.2144 178.9960 26 F 4.4982 8.8970 117.8597 61.9767 39.5246 177.7829 27 I 2.9806 7.7203 119.1504 64.0499 36.5495 177.5120 28 N 4.1228 7.9163 117.1089 56.9806 38.7610 176.3158 29 K 4.0248 7.9659 118.5022 59.7106 32.3277 178.8256 30 I 3.7807 7.6658 118.6723 66.4559 37.4511 175.6806 31 M 3.8929 7.4366 114.4888 51.7775 36.2832 172.6815 32 R 3.8521 9.4509 113.2165 56.4682 29.8225 173.7864 33 D 4.3647 8.5452 125.6373 55.2783 37.0154 175.2585 34 G 4.0149 7.2827 112.8443 47.4998 0.0000 178.4542 35 K 4.8052 7.2305 118.8070 56.6704 29.7842 177.3297 36 K 3.8790 8.9765 124.3840 58.5190 32.0765 176.9523 37 N 4.2017 8.7811 112.3766 56.4481 38.3755 175.5461 38 L 3.8616 9.2978 123.2260 58.3728 42.6922 176.9166 39 A 3.8720 8.2504 120.4419 55.0274 18.2941 179.1620 40 A 3.6042 8.1778 119.4110 55.9734 18.3660 179.2744 41 R 4.1147 8.3118 115.6535 60.1838 30.0439 178.7504 42 I 3.9119 8.4029 120.2888 63.8976 37.3948 177.8868 43 F 4.0337 8.1915 121.2445 62.2244 38.9555 176.3696 44 Y 4.1316 8.1950 116.0789 61.1417 37.2245 178.4875 45 D 4.4401 8.8206 119.2808 58.1477 41.0736 178.8965 46 A 4.0004 8.4371 121.1459 54.9583 18.2359 179.0921 47 C 3.5944 8.0830 113.3734 62.7894 28.4515 176.8988 48 K 3.9046 8.3222 119.9655 59.8352 31.6321 179.2949 49 I 3.7760 7.9416 119.9951 64.6924 36.7204 177.9624 50 I 3.7997 7.9331 120.5340 65.0659 36.9245 177.7654 51 Q 3.9607 8.5335 117.2491 60.0488 28.4665 179.5140 52 E 3.9356 8.7477 120.7964 59.8975 29.9676 179.7249 53 K 4.4415 8.5831 117.4983 58.0008 32.7714 177.0586 54 T 4.3639 9.7225 113.5628 59.8435 68.1853 174.3199 55 G 4.5393 8.7800 118.2099 47.3648 0.0000 172.0544 56 Q 4.0569 8.2571 119.8864 55.2864 29.3743 176.2658 57 E 4.0694 8.9269 121.8535 56.3723 30.3084 176.1085 58 P 4.1850 0.0000 0.0000 66.1376 30.8396 178.1089 59 L 3.7726 7.8288 119.1098 57.8981 42.1671 178.5777 60 K 3.9324 8.0744 119.1008 59.6937 32.0937 178.2861 61 V 3.5544 8.1160 118.5076 65.7590 31.3786 177.4596 62 F 3.9604 8.6569 120.5210 61.5051 39.2220 177.7643 63 K 3.9373 8.4830 117.8320 59.5239 31.8391 179.0367 64 Q 3.8829 8.2640 119.7008 59.2000 28.8605 178.1711 65 A 3.9145 8.2563 122.0980 55.0655 18.2408 179.6636 66 V 3.2881 7.5624 116.6769 66.2477 31.4056 177.9926 67 E 3.8752 8.0729 117.4343 59.3117 29.4074 178.0887 68 N 4.3370 7.9389 116.4488 56.2853 38.6954 177.1616 69 V 3.4387 7.9029 119.8634 64.4664 31.9334 177.0828 70 K 3.9142 7.6273 117.8612 56.1953 33.1099 176.4281 71 P 4.7594 0.0000 0.0000 61.9960 31.0729 176.8061 72 R 4.7572 8.0128 118.7188 56.6703 29.8184 173.9268 73 M 5.6055 7.9558 116.9580 51.9885 35.1244 174.2999 74 E 4.7556 9.2163 124.0226 55.2993 34.0443 173.4411 75 V 4.7086 7.9549 118.0569 62.0700 35.0379 173.7975 76 R 4.4117 8.2579 121.4282 54.3013 34.4179 174.7586 77 S 5.0688 8.7720 119.0007 58.2466 64.1752 173.3546 78 R 4.3708 9.3431 125.6288 54.2661 31.9815 175.2132 79 R 4.3055 8.6311 125.4127 57.0147 29.2083 176.4132 80 V 3.5372 8.9431 123.0970 62.4561 32.2356 174.3190 81 G 3.0442 8.5505 107.6273 45.3153 0.0000 173.0323 82 G 3.4935 7.2360 111.7511 45.2895 0.0000 173.4779 83 A 4.7651 7.6351 120.6751 50.5117 23.1669 175.6295 84 N 5.1407 8.8733 117.5801 52.7789 38.3328 173.6794 85 Y 3.7447 9.4980 122.6453 57.2502 39.1927 174.8300 86 Q 4.4364 8.7213 123.8835 56.6773 29.3792 175.9864 87 V 4.5858 8.8352 126.2276 60.5261 33.1160 173.5024 88 P 5.0254 0.0000 0.0000 63.0743 32.7014 175.5168 89 M 4.5507 9.0213 117.9921 55.5010 34.9167 173.0185 90 E 4.2234 9.3381 116.6179 57.9070 30.5622 178.4063 91 V 5.1898 9.2172 135.0000 62.6582 34.4024 169.3886 92 S 4.1333 8.0009 122.1963 58.2856 64.1993 171.7318 93 P 4.2233 0.0000 0.0000 65.4428 30.7219 180.2272 94 R 3.5091 6.9630 116.5438 57.7891 31.8800 177.9278 95 R 3.8404 8.3059 117.9504 59.4832 30.0638 178.6726 96 Q 3.8626 8.5685 119.2508 59.7447 29.5906 178.6064 97 Q 4.1121 8.7453 121.6601 57.4159 28.7500 178.0731 98 S 4.1210 8.4003 115.2822 61.9720 63.4974 177.2400 99 L 3.7976 8.2631 121.3785 57.8464 41.2232 178.7653 100 A 4.5560 8.7039 120.8722 55.7884 18.1911 179.2873 101 L 3.6546 8.5331 114.7460 58.5947 41.8774 179.7033 102 R 3.7467 8.9412 116.3457 60.0995 30.0854 178.7203 103 W 4.5143 9.2080 117.3310 59.9951 29.2527 178.1086 104 L 3.8888 8.7564 118.7917 58.3263 41.1874 179.6431 105 V 3.7106 8.1608 117.5139 66.6364 31.3868 177.9176 106 Q 4.0162 8.4090 116.9739 59.1335 28.6370 178.8594 107 A 4.0007 8.3069 121.5404 55.4904 18.1072 179.2790 108 A 3.9211 8.1036 117.4078 55.5839 18.5717 179.1561 109 N 4.3043 8.2193 114.0268 56.8909 38.7736 176.9313 110 Q 4.0833 8.3190 117.7568 58.6528 29.1906 177.0750 111 R 3.9963 7.4374 118.8773 53.5939 33.1238 177.1293 112 P 4.2571 0.0000 0.0000 63.3993 30.0790 180.7141 113 E 3.4749 8.9550 116.2408 56.2832 28.3717 176.9245 114 R 4.0165 8.6104 123.8464 57.0008 30.5514 176.5395 115 R 4.6089 9.0836 117.5634 53.3481 33.7876 175.0335 116 A 3.9799 8.4917 122.4290 54.7008 18.1164 180.3999 117 A 4.0184 7.5000 116.6184 55.5229 19.2466 178.9856 118 V 3.4923 8.2658 115.5472 65.9711 31.2062 177.8750 119 R 4.0070 8.2515 118.1340 59.1201 30.3453 178.6337 120 I 3.7646 8.0679 119.1065 65.3540 37.1189 177.5164 121 A 3.9477 8.5592 120.8437 55.5042 18.0278 179.0300 122 H 3.9288 8.9322 111.7956 59.5619 29.1675 176.7171 123 E 3.7725 8.8112 119.5684 59.6833 29.2465 179.2129 124 L 3.7506 8.4919 118.0476 58.9542 41.9558 178.8076 125 M 4.0525 8.5103 118.5617 58.4901 31.6345 177.9649 126 D 4.3337 8.6042 121.0217 57.9051 41.3028 177.6868 127 A 3.9020 8.6248 121.5389 53.7738 17.7760 179.1373 128 A 3.9265 8.2334 121.0157 56.2318 19.1498 179.8261 129 E 3.3883 7.9200 111.8393 56.6316 29.7651 176.1848 130 G 3.0761 6.6976 112.9849 44.3748 0.0000 173.8730 131 K 4.2324 7.4147 120.1918 54.9656 35.4473 175.4071 132 G 4.0376 8.4126 114.2062 44.1126 0.0000 173.0241 133 G 3.6537 8.2755 106.1193 47.9604 0.0000 175.7082 134 A 3.7321 7.9372 123.2671 54.4907 18.4691 179.3286 135 V 3.2471 7.5801 115.6482 66.7604 31.3739 177.2699 136 K 3.9875 8.2557 120.4889 58.0371 31.7513 178.4525 137 K 3.8954 8.4386 118.2367 60.1554 32.3112 177.9655 138 K 3.2198 8.0314 118.7053 58.2501 31.1782 178.3896 139 E 4.6728 7.8231 119.5965 60.1890 29.9442 178.9301 140 D 4.3657 8.4270 119.2334 57.4290 40.9161 178.7401 141 V 3.6382 8.4604 118.8334 67.1113 31.5356 177.2152 142 E 4.1602 8.7452 118.4870 58.4441 28.8625 179.3977 143 R 3.7849 8.3831 120.9196 60.5215 30.8838 178.2145 144 M 3.7352 8.5370 116.9319 58.1484 32.1768 176.2460 145 A 4.1238 8.0492 123.3894 54.1877 19.2678 175.5547 146 E 4.2897 9.2645 122.8339 56.1866 28.5784 175.6430 147 A 3.6966 7.3122 116.8989 56.8438 18.6643 177.6948 148 N 4.3891 7.9211 121.0637 53.0321 36.6570 174.8888 149 R 3.9528 8.0893 122.1446 55.4119 31.4803 179.4808 150 A 3.8466 7.3344 119.2952 55.3921 19.9796 179.2388 151 Y 3.8063 8.0716 111.8903 61.7167 37.6526 178.8591 152 A 3.2286 10.3693 116.6633 52.7569 20.3001 179.2464 153 H 4.2305 7.9880 112.1879 57.6056 29.7510 177.1985 154 Y 4.4092 7.9827 118.4735 59.2969 37.6633 176.2355 155 R 3.8995 7.9386 117.3070 52.5563 29.4494 176.0221 156 W 3.7101 8.5405 134.4777 57.9009 31.2694 174.0377 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 A 8.26 4.32 1.28 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 0.00 0.00 3 R 8.18 3.90 0.00 1.88 2.05 0.00 3.35 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 4 R 8.69 4.23 0.00 1.78 1.72 0.00 3.25 0.00 0.00 3.22 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 5 R 7.85 4.13 0.00 1.80 1.07 0.00 3.34 0.00 0.00 3.15 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 6 R 9.40 5.07 0.00 1.83 1.91 0.00 3.24 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 7 A 7.04 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.55 4.30 0.00 2.06 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 2.21 2.34 0.00 9 V 7.37 3.31 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 0.82 0.00 0.00 0.94 0.00 0.00 10 R 8.30 4.43 0.00 1.84 1.84 0.00 3.29 0.00 0.00 3.15 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 11 Q 8.15 4.64 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 12 L 8.02 4.86 0.00 1.59 1.48 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.98 4.28 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 14 P 0.00 4.03 0.00 2.22 2.10 0.00 3.39 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 15 D 8.53 4.23 0.00 2.78 2.77 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 16 L 8.46 4.66 0.00 1.76 1.70 0.94 0.98 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 17 V 7.76 4.43 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 0.97 0.00 0.00 0.88 0.00 0.00 18 Y 8.84 4.51 0.00 3.15 2.95 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 19 G 8.33 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 0.00 0.00 0.00 20 D 7.97 4.77 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 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 0.77 0.00 0.00 0.97 0.00 0.00 22 L 8.35 4.01 0.00 1.87 2.44 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.77 3.53 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 0.31 0.00 0.00 0.87 0.00 0.00 24 T 7.85 3.71 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 1.17 0.00 0.00 25 A 8.22 4.02 1.43 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 0.00 0.00 26 F 8.90 4.50 0.00 3.41 3.44 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 27 I 7.72 2.98 1.53 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.06 0.65 0.00 0.00 28 N 7.92 4.12 0.00 3.01 2.83 0.00 0.00 7.24 6.72 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 29 K 7.97 4.02 0.00 2.12 1.99 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.68 1.80 7.81 30 I 7.67 3.78 1.78 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.16 0.82 0.00 0.00 31 M 7.44 3.89 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 32 R 9.45 3.85 0.00 2.04 2.14 0.00 3.13 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 33 D 8.55 4.36 0.00 2.85 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 34 G 7.28 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 35 K 7.23 4.81 0.00 1.99 2.04 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.70 7.81 36 K 8.98 3.88 0.00 1.69 1.82 0.00 1.52 0.00 0.00 1.54 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 37 N 8.78 4.20 0.00 2.84 2.56 0.00 0.00 6.79 6.66 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 38 L 9.30 3.86 0.00 1.80 1.69 0.95 1.10 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 39 A 8.25 3.87 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 40 A 8.18 3.60 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 41 R 8.31 4.11 0.00 2.12 2.06 0.00 3.20 0.00 0.00 3.22 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 42 I 8.40 3.91 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.96 0.00 0.00 43 F 8.19 4.03 0.00 2.80 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 44 Y 8.20 4.13 0.00 3.41 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 45 D 8.82 4.44 0.00 2.70 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 46 A 8.44 4.00 1.40 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 0.00 0.00 0.00 47 C 8.08 3.59 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.32 3.90 0.00 1.98 1.89 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 49 I 7.94 3.78 2.06 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 1.55 0.99 0.93 0.00 0.00 50 I 7.93 3.80 2.07 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 1.51 1.07 0.99 0.00 0.00 51 Q 8.53 3.96 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 52 E 8.75 3.94 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 53 K 8.58 4.44 0.00 1.79 1.83 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 54 T 9.72 4.36 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 1.26 0.00 0.00 55 G 8.78 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 56 Q 8.26 4.06 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 57 E 8.93 4.07 0.00 2.05 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 0.00 2.46 2.42 0.00 58 P 0.00 4.18 0.00 2.08 2.44 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 59 L 7.83 3.77 0.00 1.86 1.80 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.07 3.93 0.00 1.90 1.82 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 61 V 8.12 3.55 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.00 0.00 0.00 62 F 8.66 3.96 0.00 3.15 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 63 K 8.48 3.94 0.00 1.97 1.89 0.00 1.92 0.00 0.00 1.94 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.96 1.70 7.81 64 Q 8.26 3.88 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 65 A 8.26 3.91 1.28 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 0.00 0.00 66 V 7.56 3.29 2.16 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 0.99 0.00 0.00 0.53 0.00 0.00 67 E 8.07 3.88 0.00 1.94 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 2.29 2.35 0.00 68 N 7.94 4.34 0.00 2.78 2.71 0.00 0.00 6.96 7.59 0.00 0.00 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 V 7.90 3.44 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 0.55 0.00 0.00 0.70 0.00 0.00 70 K 7.63 3.91 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.62 7.81 71 P 0.00 4.76 0.00 2.32 2.25 0.00 4.23 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.37 0.00 72 R 8.01 4.76 0.00 2.01 2.18 0.00 2.89 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 73 M 7.96 5.61 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 74 E 9.22 4.76 0.00 1.97 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 2.09 2.18 0.00 75 V 7.95 4.71 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 0.92 0.00 0.00 76 R 8.26 4.41 0.00 0.67 0.66 0.00 2.25 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.08 0.00 77 S 8.77 5.07 0.00 3.92 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 78 R 9.34 4.37 0.00 1.78 1.89 0.00 2.76 0.00 0.00 2.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.37 0.00 79 R 8.63 4.31 0.00 1.74 1.84 0.00 3.40 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 80 V 8.94 3.54 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 0.00 0.00 0.05 0.00 0.00 0.58 0.00 0.00 81 G 8.55 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 0.00 0.00 0.00 82 G 7.24 3.49 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 0.00 83 A 7.64 4.77 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 84 N 8.87 5.14 0.00 2.71 2.92 0.00 0.00 6.99 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 85 Y 9.50 3.74 0.00 2.97 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 86 Q 8.72 4.44 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 87 V 8.84 4.59 2.67 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 1.50 0.00 0.00 1.60 0.00 0.00 88 P 0.00 5.03 0.00 2.12 2.05 0.00 3.95 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 89 M 9.02 4.55 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 90 E 9.34 4.22 0.00 1.95 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 2.42 2.20 0.00 91 V 9.22 5.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 92 S 8.00 4.13 0.00 3.93 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 93 P 0.00 4.22 0.00 2.31 2.20 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 94 R 6.96 3.51 0.00 1.98 1.93 0.00 3.25 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 1.69 1.81 0.00 95 R 8.31 3.84 0.00 1.90 2.02 0.00 3.22 0.00 0.00 3.35 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 96 Q 8.57 3.86 0.00 2.47 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 97 Q 8.75 4.11 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 98 S 8.40 4.12 0.00 3.89 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 99 L 8.26 3.80 0.00 1.51 0.77 0.58 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.70 4.56 1.49 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 0.00 101 L 8.53 3.65 0.00 1.97 1.81 1.00 0.92 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 0.00 102 R 8.94 3.75 0.00 1.89 2.11 0.00 2.87 0.00 0.00 3.03 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 103 W 9.21 4.51 0.00 3.84 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 0.00 104 L 8.76 3.89 0.00 1.77 1.60 0.74 0.96 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 0.00 105 V 8.16 3.71 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 1.26 0.00 0.00 1.37 0.00 0.00 106 Q 8.41 4.02 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 107 A 8.31 4.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.10 3.92 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 0.00 109 N 8.22 4.30 0.00 2.89 2.95 0.00 0.00 7.18 7.96 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 0.00 110 Q 8.32 4.08 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 111 R 7.44 4.00 0.00 1.98 1.98 0.00 3.38 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 112 P 0.00 4.26 0.00 2.18 1.47 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 113 E 8.95 3.47 0.00 2.22 2.49 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 2.29 2.32 0.00 114 R 8.61 4.02 0.00 1.83 2.03 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 115 R 9.08 4.61 0.00 1.70 1.76 0.00 3.15 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 116 A 8.49 3.98 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 0.00 117 A 7.50 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.27 3.49 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 1.20 0.00 0.00 0.96 0.00 0.00 119 R 8.25 4.01 0.00 2.02 2.00 0.00 3.49 0.00 0.00 3.43 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 120 I 8.07 3.76 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 1.22 0.00 0.00 121 A 8.56 3.95 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 0.00 122 H 8.93 3.93 0.00 3.17 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.81 3.77 0.00 2.23 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 0.00 2.38 2.39 0.00 124 L 8.49 3.75 0.00 2.04 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.51 4.05 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 126 D 8.60 4.33 0.00 2.84 2.67 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 0.00 127 A 8.62 3.90 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 0.00 128 A 8.23 3.93 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 0.00 129 E 7.92 3.39 0.00 2.21 1.77 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 2.32 2.50 0.00 130 G 6.70 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 0.00 0.00 0.00 131 K 7.41 4.23 0.00 1.77 1.73 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.34 7.81 132 G 8.41 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 0.00 0.00 0.00 133 G 8.28 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 0.00 134 A 7.94 3.73 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 0.00 135 V 7.58 3.25 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 1.00 0.00 0.00 0.85 0.00 0.00 136 K 8.26 3.99 0.00 1.78 1.92 0.00 1.94 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.45 7.81 137 K 8.44 3.90 0.00 1.68 2.15 0.00 1.97 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.65 7.81 138 K 8.03 3.22 0.00 1.18 1.57 0.00 1.74 0.00 0.00 1.42 0.00 0.00 3.36 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.21 7.81 139 E 7.82 4.67 0.00 2.08 1.94 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 2.26 2.29 0.00 140 D 8.43 4.37 0.00 2.95 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 0.00 141 V 8.46 3.64 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 1.10 0.00 0.00 1.50 0.00 0.00 142 E 8.75 4.16 0.00 2.21 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 0.00 2.31 2.33 0.00 143 R 8.38 3.78 0.00 1.87 1.99 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 144 M 8.54 3.74 0.00 2.02 2.24 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 2.65 2.83 0.00 145 A 8.05 4.12 1.28 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 0.00 0.00 146 E 9.26 4.29 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 147 A 7.31 3.70 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 0.00 148 N 7.92 4.39 0.00 2.77 2.91 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.09 3.95 0.00 2.17 1.65 0.00 3.21 0.00 0.00 3.28 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 150 A 7.33 3.85 1.14 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 0.00 0.00 0.00 151 Y 8.07 3.81 0.00 2.84 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 0.00 152 A 10.37 3.23 1.29 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 H 7.99 4.23 0.00 3.54 3.59 0.00 5.29 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.98 4.41 0.00 3.19 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 0.00 155 R 7.94 3.90 0.00 2.18 2.02 0.00 3.39 0.00 0.00 3.25 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 156 W 8.54 3.71 0.00 3.59 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