NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4521 8.3044 118.1954 55.3048 32.5786 174.2495 1 V 4.2225 7.8267 117.9600 61.0058 34.2723 172.6337 2 L 4.3637 8.2883 127.5011 53.9305 43.7064 176.8121 3 S 4.5615 8.5400 117.0107 57.6616 65.4740 175.0703 4 E 4.3119 8.9006 122.8868 59.6066 29.3321 179.3553 5 G 3.6052 8.0775 105.4232 47.5166 0.0000 175.5432 6 E 3.8775 8.0945 120.7623 59.1498 29.4565 179.2433 7 W 4.4457 7.9186 118.9131 60.1437 29.0495 178.6333 8 Q 4.1469 8.4682 118.0135 59.0428 28.2000 178.7749 9 L 4.1315 8.0088 119.8188 57.5138 41.5535 179.7487 10 V 3.8235 7.7500 118.0974 65.7847 31.6202 177.8112 11 L 4.3782 8.6119 118.2729 56.9058 41.4916 178.8128 12 H 4.1897 8.3487 119.1669 59.1987 29.8978 177.3734 13 V 3.5352 7.8413 119.7161 65.6573 31.3123 177.5880 14 W 4.0108 8.5557 128.0159 60.5549 30.1970 177.6946 15 A 3.9419 8.0546 119.7955 54.9402 17.9511 179.5782 16 K 3.9210 7.3560 116.4920 59.5023 32.1557 179.3686 17 V 2.8111 7.1059 118.4775 66.1062 30.9680 177.8723 18 E 3.8100 7.5664 115.9719 58.8424 29.2590 178.8986 19 A 4.1699 7.3393 119.9077 53.8002 19.9498 177.2886 20 D 4.6463 7.9186 116.4894 51.6810 41.6786 175.6179 21 V 3.4585 7.8001 122.7321 65.7164 32.0879 176.8381 22 A 4.1257 7.9814 120.2127 54.7703 18.2762 179.7445 23 G 3.9619 8.1649 105.7134 47.9690 0.0000 175.7627 24 H 4.1565 8.3100 119.4360 58.2334 28.7457 178.1787 25 G 3.5987 8.4786 108.0720 47.7120 0.0000 175.4449 26 Q 3.8105 8.1452 121.8657 58.9640 29.0772 177.6420 27 D 4.3246 7.8626 119.7860 57.7274 40.9116 179.2473 28 I 3.6259 7.6670 119.6633 64.5699 37.0618 178.6035 29 L 3.5102 7.6302 119.4314 57.5229 41.2646 179.6776 30 I 3.7066 7.5865 119.9088 64.1457 36.9319 178.3537 31 R 3.7839 8.0668 119.8367 59.2093 29.7943 178.3168 32 L 3.8860 8.0110 120.3940 58.1752 41.9672 179.0039 33 F 4.5716 7.8915 117.7744 60.5959 38.6439 177.7830 34 K 3.9790 8.1817 117.0414 59.6302 31.9726 179.3320 35 S 4.3018 8.0386 113.9295 60.5386 63.9023 174.8719 36 H 4.7375 8.1554 121.7208 52.6503 28.8573 172.4701 37 P 4.6652 0.0000 0.0000 64.3451 31.5554 177.6127 38 E 4.1169 8.2852 116.6370 59.5005 29.3516 179.1704 39 T 3.8301 8.2972 111.4140 64.5775 68.8237 176.1595 40 L 3.7610 7.9931 123.0238 57.8986 41.6928 178.7760 41 E 4.1408 7.9120 117.0849 58.7788 29.4495 178.7438 42 K 4.4236 8.1987 117.3887 57.0713 32.4678 176.8463 43 F 4.4787 8.2416 119.0808 55.5703 38.7019 176.1100 44 D 4.3073 8.5987 126.7305 57.2215 41.0418 178.1565 45 R 3.8270 7.9474 117.9442 59.0120 29.9720 176.9021 46 F 4.9094 7.5883 114.3662 58.7452 40.3075 178.9826 47 K 4.5091 8.3280 122.1776 59.4441 32.5029 176.8566 48 H 4.3011 8.2694 112.5750 57.5081 28.6567 175.5125 49 L 3.8850 7.3862 121.3597 55.1108 41.6303 176.9449 50 K 4.2381 9.4365 124.0049 57.5863 33.1713 176.9081 51 T 4.7168 7.2929 107.5370 59.0195 73.1859 174.1917 52 E 3.9770 8.5767 119.9985 58.9899 29.6006 178.3024 53 A 4.0075 7.8915 120.7545 54.9796 18.3556 179.2599 54 E 3.9701 7.8592 116.2556 59.5645 29.6262 179.1790 55 M 4.1465 8.0927 118.9299 58.2966 31.8212 178.8299 56 K 3.8998 8.1215 117.5462 59.4077 32.3650 178.8193 57 A 4.2554 7.7273 118.5603 52.5090 18.8514 177.3929 58 S 4.2164 7.3349 114.1064 57.7276 63.1226 174.4943 59 E 3.9761 8.9351 128.7495 59.2487 29.5153 178.0275 60 D 4.4785 8.1919 118.5692 57.6077 41.0065 178.3343 61 L 3.2721 8.0907 120.7968 58.0287 41.8543 179.0191 62 K 3.9047 7.9049 119.0008 59.3946 32.1499 179.0116 63 K 4.0368 8.1226 118.8949 59.7014 31.8712 178.8534 64 H 4.4133 8.5138 118.8258 59.1747 29.7397 177.5945 65 G 3.5390 8.3005 107.7270 47.6280 0.0000 175.9295 66 V 3.6178 7.5996 120.1819 65.9977 31.5556 178.2568 67 T 3.8662 8.0127 115.5559 66.5876 68.3432 176.6336 68 V 3.6143 7.9528 120.2791 66.2593 31.5217 178.1736 69 L 4.2504 8.1938 118.6424 57.8786 41.4259 179.6958 70 T 3.9480 8.3162 115.9486 66.6136 67.9274 176.5173 71 A 4.0151 8.1083 122.7043 55.0148 18.3010 179.5282 72 L 3.7252 8.1731 118.9841 58.1204 42.1891 179.2175 73 G 3.4779 8.4761 105.8158 47.9287 0.0000 175.4324 74 A 4.0823 7.7864 121.6926 54.4492 18.6242 179.5474 75 I 3.8596 7.1674 118.0990 64.4336 37.3173 178.4729 76 L 3.9974 7.7816 119.9230 57.5644 41.1618 179.4999 77 K 3.9906 7.6795 117.0443 58.4409 32.2468 179.0303 78 K 3.9245 7.9135 118.9843 56.5803 31.9246 177.1423 79 K 2.0000 8.1301 117.3225 56.7827 29.6297 176.2000 80 G 4.0632 8.1523 107.5751 46.0191 0.0000 175.0511 81 H 4.5557 7.5027 119.1873 54.8858 27.2910 174.6798 82 H 5.1750 7.4926 112.3520 53.8949 29.9263 176.4418 83 E 3.9355 8.4151 120.4518 60.0604 28.9188 179.1997 84 A 4.0099 7.8612 119.9939 54.9787 18.7167 178.9270 85 E 4.0609 8.2423 116.6319 59.5751 29.4940 179.2753 86 L 4.0980 8.1714 120.3021 57.6508 42.0900 178.8145 87 K 3.9124 7.8094 118.9552 59.1995 32.0914 177.4340 88 P 4.3254 0.0000 0.0000 65.5017 31.2252 178.2588 89 L 3.9905 7.4667 120.2100 58.1415 42.0572 178.7278 90 A 4.2158 8.5162 121.1880 55.1782 18.1756 179.4435 91 Q 3.8944 8.3416 118.5734 59.2272 29.1032 178.4811 92 S 4.0045 8.1356 115.4481 61.7168 63.1950 176.1920 93 H 4.0997 8.6697 119.5809 58.0821 28.8119 177.4156 94 A 2.6742 8.2632 122.9204 53.7144 18.0985 179.1015 95 T 3.9226 7.5779 112.9640 64.5114 69.6764 176.0500 96 K 4.0364 7.4385 120.0461 58.9246 32.8797 177.2205 97 H 4.3041 7.7295 114.3619 56.7014 29.2473 174.4910 98 K 3.3420 6.9405 117.0212 56.4131 28.4894 174.3253 99 I 4.4344 7.9666 119.2704 58.3117 39.4752 174.5514 100 P 4.6047 0.0000 0.0000 62.2752 32.2716 177.2198 101 I 3.6068 8.4666 121.9936 64.5966 36.9166 178.3154 102 K 3.5780 8.0130 119.7994 60.0685 31.8676 178.0984 103 Y 4.1188 7.7324 115.9699 61.1156 37.8342 178.7472 104 L 4.2383 7.8833 119.3301 57.5267 41.8766 179.1607 105 E 4.0763 7.9892 118.8821 59.2050 29.4967 179.2089 106 F 4.4952 7.9437 117.9821 60.7818 38.9090 177.6362 107 I 3.8566 8.1355 118.1345 64.0427 37.7402 178.0923 108 S 4.2016 8.2085 116.1324 61.3911 62.6823 176.2080 109 E 4.0451 8.3437 121.6822 59.1859 29.4454 178.7132 110 A 4.0810 8.0094 120.6701 55.0134 18.3559 179.7820 111 I 3.7319 8.1215 118.7406 64.7280 37.1719 178.7819 112 I 3.8617 7.9583 120.5429 64.3080 36.7922 178.0721 113 H 4.1852 8.2443 119.3293 59.1327 29.6885 177.5054 114 V 3.5733 7.9276 120.1303 65.9073 31.2805 178.0734 115 L 3.8341 7.9552 118.9428 57.5888 41.0428 178.7899 116 H 4.2557 7.9382 117.6892 59.5289 29.9067 177.1289 117 S 4.1832 7.8648 115.3877 61.7569 62.7542 176.6208 118 R 4.0228 7.8926 119.3176 57.6915 31.2181 176.8733 119 H 5.0540 8.1185 115.2817 54.0108 29.3050 173.3256 120 P 4.2948 0.0000 0.0000 65.7804 31.8079 179.4589 121 G 3.6612 8.1361 106.7703 47.5372 0.0000 173.6942 122 N 4.9470 8.2653 115.0398 52.9552 39.3489 174.5836 123 F 4.9773 7.8266 119.2904 56.8898 39.6286 174.6545 124 G 3.8571 7.8252 107.9943 43.7009 0.0000 172.7699 125 A 3.8971 8.4961 121.1896 55.5848 18.1053 179.6061 126 D 4.1986 7.9933 116.1860 57.5039 40.9324 178.8109 127 A 3.9324 7.7652 120.7499 55.0704 18.3591 179.3131 128 Q 3.1355 7.9054 118.5953 58.8172 29.0110 178.6776 129 G 3.4661 8.0058 106.8055 47.5756 0.0000 175.6620 130 A 3.9049 7.9352 123.1487 54.9232 18.2586 179.4793 131 M 4.0082 8.2058 117.0087 58.7531 32.3494 177.9585 132 N 4.3030 8.3653 117.4225 56.5087 39.0153 176.7311 133 K 3.8612 8.1093 120.8369 59.4652 32.2379 178.7008 134 A 3.8297 7.9139 121.0211 55.0321 18.1783 179.6556 135 L 4.0816 8.2831 117.8532 57.7948 41.6487 179.4094 136 E 3.9622 8.6490 119.1204 59.2045 29.4156 178.9771 137 L 3.9410 8.1972 120.5961 58.2125 42.1014 178.5621 138 F 4.2107 8.4218 120.4734 61.7187 39.2267 177.3583 139 R 3.4451 8.2048 117.4895 58.8835 29.8313 179.0543 140 K 3.8613 8.3130 119.8142 59.6332 32.2257 178.7281 141 D 4.3608 8.0832 119.1847 57.2928 40.5965 178.8836 142 I 3.4803 7.6590 120.4112 63.9831 37.0852 178.1955 143 A 3.6481 8.0401 121.8539 55.1040 18.2990 179.5423 144 A 3.9784 7.9716 119.1570 55.1485 18.4074 180.1239 145 K 3.9733 7.9685 117.0536 59.8488 32.1135 178.8853 146 Y 4.3868 8.3601 117.4291 61.2527 37.7584 178.9509 147 K 3.9520 8.0809 119.6465 59.7638 32.1526 178.6389 148 E 3.9837 7.8569 116.8468 59.3990 29.4596 178.9144 149 L 4.3044 7.8455 117.2761 55.5717 41.8472 177.8750 150 G 4.0473 8.2884 107.3030 45.5160 0.0000 173.4818 151 Y 4.2386 7.6556 121.4134 57.5610 40.7884 176.9196 152 Q 3.0867 7.3741 116.7419 57.2878 27.6778 175.4258 153 G 3.3078 8.8850 114.8041 45.1088 0.0000 172.5583 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 0 M 8.30 4.45 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.83 4.22 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 0.84 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.36 0.00 1.01 0.69 0.59 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.54 4.56 0.00 4.07 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 4 E 8.90 4.31 0.00 2.20 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 2.44 2.53 0.00 5 G 8.08 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.09 3.88 0.00 1.87 1.75 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 2.22 2.26 0.00 7 W 7.92 4.45 0.00 3.54 3.21 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 8 Q 8.47 4.15 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.76 0.00 9 L 8.01 4.13 0.00 1.89 1.75 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.75 3.82 2.40 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.61 4.38 0.00 1.84 1.81 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.35 4.19 0.00 3.53 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.54 2.29 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 1.03 0.00 0.00 1.31 0.00 0.00 14 W 8.56 4.01 0.00 3.64 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 15 A 8.05 3.94 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 16 K 7.36 3.92 0.00 1.63 1.75 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.11 2.81 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 0.00 0.00 -0.09 0.00 0.00 0.44 0.00 0.00 18 E 7.57 3.81 0.00 1.95 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 2.18 2.09 0.00 19 A 7.34 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.92 4.65 0.00 2.70 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 21 V 7.80 3.46 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.84 0.00 0.00 22 A 7.98 4.13 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 23 G 8.16 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 0.00 0.00 0.00 24 H 8.31 4.16 0.00 3.14 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.48 3.60 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 0.00 0.00 0.00 26 Q 8.15 3.81 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 7.86 4.32 0.00 2.90 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 28 I 7.67 3.63 1.89 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 1.52 0.72 0.89 0.00 0.00 29 L 7.63 3.51 0.00 1.53 1.14 0.81 0.55 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 30 I 7.59 3.71 1.88 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 1.40 0.70 0.89 0.00 0.00 31 R 8.07 3.78 0.00 1.94 2.13 0.00 3.01 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 L 8.01 3.89 0.00 1.68 1.36 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.89 4.57 0.00 3.20 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 34 K 8.18 3.98 0.00 1.67 1.84 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.69 7.81 35 S 8.04 4.30 0.00 3.77 3.58 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 36 H 8.16 4.74 0.00 2.83 2.69 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.67 0.00 2.16 2.10 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 38 E 8.29 4.12 0.00 2.30 2.30 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 2.34 2.56 0.00 39 T 8.30 3.83 4.46 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 0.87 0.00 0.00 40 L 7.99 3.76 0.00 1.41 1.81 0.20 0.76 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 41 E 7.91 4.14 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 42 K 8.20 4.42 0.00 1.89 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.73 1.97 7.81 43 F 8.24 4.48 0.00 3.32 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.60 4.31 0.00 2.60 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 45 R 7.95 3.83 0.00 1.29 0.66 0.00 3.09 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.47 0.00 46 F 7.59 4.91 0.00 2.93 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 47 K 8.33 4.51 0.00 1.84 1.82 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 48 H 8.27 4.30 0.00 3.33 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.39 3.89 0.00 1.52 1.57 0.83 0.67 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 50 K 9.44 4.24 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.54 7.81 51 T 7.29 4.72 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 1.20 0.00 0.00 52 E 8.58 3.98 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 2.35 2.35 0.00 53 A 7.89 4.01 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 54 E 7.86 3.97 0.00 2.12 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 2.34 2.34 0.00 55 M 8.09 4.15 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 56 K 8.12 3.90 0.00 1.90 1.85 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.73 4.26 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 58 S 7.33 4.22 0.00 3.82 3.83 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 59 E 8.94 3.98 0.00 2.14 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 2.39 2.48 0.00 60 D 8.19 4.48 0.00 2.99 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 L 8.09 3.27 0.00 1.15 1.60 0.12 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.90 3.90 0.00 1.86 1.92 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.12 4.04 0.00 1.95 1.90 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.57 7.81 64 H 8.51 4.41 0.00 3.57 3.53 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.30 3.54 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 66 V 7.60 3.62 2.27 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 1.11 0.00 0.00 0.95 0.00 0.00 67 T 8.01 3.87 4.43 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 1.28 0.00 0.00 68 V 7.95 3.61 2.22 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 1.09 0.00 0.00 0.96 0.00 0.00 69 L 8.19 4.25 0.00 1.79 1.86 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 3.95 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 1.25 0.00 0.00 71 A 8.11 4.02 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 72 L 8.17 3.73 0.00 1.63 1.62 0.24 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.48 3.48 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 0.00 74 A 7.79 4.08 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 75 I 7.17 3.86 1.81 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 1.53 0.93 0.85 0.00 0.00 76 L 7.78 4.00 0.00 1.26 1.57 -0.20 0.86 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 77 K 7.68 3.99 0.00 1.73 1.80 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.49 7.81 78 K 7.91 3.92 0.00 1.79 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.69 1.74 7.81 79 K 8.13 2.00 0.00 1.31 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.79 7.81 80 G 8.15 4.06 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 0.00 0.00 0.00 81 H 7.50 4.56 0.00 3.20 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.49 5.18 0.00 3.31 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.42 3.94 0.00 2.21 2.31 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 2.40 2.39 0.00 84 A 7.86 4.01 1.33 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 0.00 0.00 85 E 8.24 4.06 0.00 2.26 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 2.41 2.45 0.00 86 L 8.17 4.10 0.00 2.11 1.69 0.95 0.42 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 87 K 7.81 3.91 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.33 0.00 2.30 2.34 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.47 3.99 0.00 1.88 1.98 0.97 1.11 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 90 A 8.52 4.22 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.34 3.89 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 92 S 8.14 4.00 0.00 4.01 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 93 H 8.67 4.10 0.00 3.59 3.57 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.26 2.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.58 3.92 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 1.11 0.00 0.00 96 K 7.44 4.04 0.00 1.51 1.57 0.00 1.66 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.18 1.33 7.81 97 H 7.73 4.30 0.00 2.99 3.18 0.00 5.80 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 98 K 6.94 3.34 0.00 1.86 1.89 0.00 1.42 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.27 7.81 99 I 7.97 4.43 2.08 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 1.52 1.01 1.14 0.00 0.00 100 P 0.00 4.60 0.00 1.96 2.00 0.00 3.27 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.46 0.00 101 I 8.47 3.61 1.81 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.81 0.00 0.00 102 K 8.01 3.58 0.00 1.72 1.64 0.00 1.32 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 0.79 7.81 103 Y 7.73 4.12 0.00 3.22 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 0.00 104 L 7.88 4.24 0.00 1.82 1.76 0.69 1.13 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 0.00 105 E 7.99 4.08 0.00 2.12 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 2.33 2.43 0.00 106 F 7.94 4.50 0.00 3.16 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 0.00 107 I 8.14 3.86 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.10 0.00 0.00 108 S 8.21 4.20 0.00 4.24 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 0.00 109 E 8.34 4.05 0.00 2.20 2.30 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 2.38 2.41 0.00 110 A 8.01 4.08 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 0.00 111 I 8.12 3.73 2.11 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 1.63 0.70 1.04 0.00 0.00 112 I 7.96 3.86 2.00 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 1.72 0.82 1.13 0.00 0.00 113 H 8.24 4.19 0.00 3.40 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.93 3.57 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 1.00 0.00 0.00 1.00 0.00 0.00 115 L 7.96 3.83 0.00 0.46 0.82 0.82 0.71 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 0.00 116 H 7.94 4.26 0.00 3.41 3.52 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.18 0.00 3.79 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 0.00 118 R 7.89 4.02 0.00 1.58 1.53 0.00 2.83 0.00 0.00 2.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 119 H 8.12 5.05 0.00 3.21 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.21 2.26 0.00 3.74 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 2.06 1.93 0.00 121 G 8.14 3.66 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 0.00 0.00 0.00 122 N 8.27 4.95 0.00 2.80 2.97 0.00 0.00 6.69 6.96 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 0.00 123 F 7.83 4.98 0.00 2.96 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 0.00 124 G 7.83 3.86 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 0.00 0.00 0.00 125 A 8.50 3.90 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 0.00 126 D 7.99 4.20 0.00 2.64 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 7.77 3.93 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 0.00 128 Q 7.91 3.14 0.00 1.36 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 129 G 8.01 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.94 3.90 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 0.00 131 M 8.21 4.01 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.37 4.30 0.00 2.89 2.95 0.00 0.00 6.87 6.37 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 0.00 133 K 8.11 3.86 0.00 1.95 1.73 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.37 7.81 134 A 7.91 3.83 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 0.00 135 L 8.28 4.08 0.00 1.75 1.83 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.65 3.96 0.00 2.12 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 2.34 2.63 0.00 137 L 8.20 3.94 0.00 1.85 1.99 1.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.42 4.21 0.00 3.07 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 0.00 139 R 8.20 3.45 0.00 2.11 1.85 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 140 K 8.31 3.86 0.00 1.76 1.98 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.08 4.36 0.00 2.90 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 0.00 142 I 7.66 3.48 1.27 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 0.97 -0.18 0.18 0.00 0.00 143 A 8.04 3.65 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 0.00 144 A 7.97 3.98 1.39 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 0.00 145 K 7.97 3.97 0.00 2.08 1.94 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.36 4.39 0.00 3.26 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 0.00 147 K 8.08 3.95 0.00 1.88 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.86 3.98 0.00 2.21 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 2.38 0.00 149 L 7.85 4.30 0.00 1.80 1.70 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.29 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.66 4.24 0.00 2.59 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 0.00 152 Q 7.37 3.09 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 153 G 8.88 3.31 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 0.00