NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5473 8.2893 120.3502 55.2210 33.4425 175.8122 2 S 4.2645 9.1938 122.1200 56.8233 65.1723 173.6977 3 L 3.9600 9.1772 124.5425 58.4686 42.1548 180.2162 4 L 3.9740 7.8510 118.3619 57.8137 41.6297 179.1912 5 E 3.9563 8.1930 118.5548 59.1640 29.2760 179.3903 6 R 3.9151 8.2675 119.0179 59.4730 30.1429 178.6059 7 L 3.9477 8.2020 119.0860 57.8707 41.5695 179.2877 8 N 4.3095 8.3882 116.6103 56.2712 38.4528 177.2472 9 Q 3.9274 8.1886 120.9306 59.3989 29.1595 178.1391 10 D 4.0503 8.3499 120.0378 57.2051 40.7910 178.4868 11 M 4.1102 8.3167 119.7270 58.5402 31.9668 178.9723 12 K 3.9591 7.8086 117.9431 59.2760 32.1797 179.1653 13 L 3.8449 7.6238 120.5911 58.4725 41.9759 178.6583 14 Y 4.6596 8.1030 116.5320 60.7992 37.6028 178.0601 15 M 4.1568 7.9913 120.3150 58.0016 31.8745 178.6062 16 K 4.0681 8.0645 118.9094 59.4804 32.5720 177.9034 17 N 4.6720 8.3896 113.6131 52.1986 39.3583 175.1601 18 R 3.8428 7.4625 117.0350 57.7081 28.3126 178.7998 19 E 4.4781 8.3177 118.5988 54.0711 28.1104 175.9306 20 K 3.8487 8.0471 123.9039 59.6479 32.6548 177.3943 21 D 4.3465 7.9955 118.3752 57.3348 40.7662 178.8830 22 K 3.8004 7.7193 118.4438 59.1153 31.9711 178.9419 23 L 4.0948 8.0269 120.7693 58.4804 42.0459 179.0968 24 T 3.8400 7.9464 115.5296 66.6554 68.3617 176.5975 25 V 3.5681 7.5153 119.5605 66.0807 31.5768 178.0608 26 V 3.4579 7.9036 118.0792 66.1005 31.3659 178.1655 27 R 4.0265 8.2419 115.5753 59.1177 29.3901 178.7643 28 M 4.0242 8.1020 119.8088 58.2562 31.9771 178.7770 29 V 3.5303 7.9560 118.6112 65.7073 31.6702 177.8294 30 K 3.7974 8.0653 119.1542 59.5856 32.0176 178.4683 31 A 4.1392 8.1083 120.9080 55.4333 18.2496 179.8019 32 S 4.1402 8.1202 113.6047 61.6625 62.7300 176.9659 33 L 4.0018 7.9642 121.7746 57.8903 41.3719 179.6010 34 Q 4.0091 8.2700 118.1037 59.0021 28.5553 178.4893 35 N 4.3911 8.6703 118.0656 56.1090 38.5359 177.1397 36 E 3.8946 8.2825 120.7696 59.1772 29.7345 178.7659 37 A 4.0282 7.8320 121.0571 55.0444 18.3324 179.7298 38 I 3.6480 7.8485 118.4852 64.2984 36.9579 178.3421 39 K 3.8702 8.0337 119.5845 59.5063 32.1193 177.9581 40 L 4.2576 7.7001 115.3986 53.6301 42.8678 176.7006 41 K 3.8416 8.0054 118.4118 56.7326 29.9462 174.0187 42 K 4.7020 8.1196 115.2441 55.1282 36.3546 176.6723 43 D 4.4843 8.7606 120.1100 57.3696 40.7991 176.4412 44 S 4.5241 7.5412 109.6888 57.6493 65.5851 172.6059 45 L 4.8130 8.0301 119.7959 53.0727 43.9593 177.1218 46 T 4.2421 8.6373 111.5057 61.4961 70.9950 175.6762 47 E 4.2003 8.6054 120.8699 59.5485 29.5591 179.3715 48 D 4.4096 8.0331 118.8035 57.2559 41.1162 178.3762 49 E 4.0361 8.2498 119.2148 59.2668 29.3011 179.2474 50 E 3.9983 8.1605 118.8927 59.3345 29.4389 179.2228 51 L 4.0009 7.8883 118.8659 58.1465 41.6679 179.7659 52 T 3.8557 7.8608 115.4222 66.5008 68.2820 176.9414 53 V 3.5790 7.7014 119.7946 65.9854 31.6255 178.0187 54 L 3.9809 8.1885 119.0203 58.1001 41.0448 179.7980 55 S 4.1765 8.3792 115.2237 61.4402 62.6104 176.8128 56 R 3.9514 8.0207 121.5833 59.4310 29.7268 178.3889 57 E 3.9453 8.4764 118.7490 59.2265 29.3559 179.1897 58 L 3.9619 8.0553 120.4094 57.9948 42.1742 178.9238 59 K 3.9179 8.2263 119.6924 59.5927 32.1494 178.5915 60 Q 4.0028 8.3053 118.5195 59.2552 28.5638 179.3902 61 R 3.9905 7.8213 118.9964 59.0819 30.1489 179.1827 62 K 3.9655 8.2754 118.4769 59.5917 32.0246 179.1443 63 D 4.3401 8.5153 119.5758 57.4358 40.6375 179.0291 64 S 3.7878 7.9939 115.7160 61.1992 62.7942 176.3853 65 L 4.0759 8.1364 123.2658 58.3068 41.7623 178.8576 66 Q 3.9721 7.8795 118.9213 59.3034 29.0152 178.0985 67 E 3.8816 8.0538 119.6171 59.4279 29.4594 179.3891 68 F 4.5871 8.3099 118.1920 60.2767 38.9261 177.8501 69 S 4.1450 8.2391 113.1713 61.4963 62.0263 175.7984 70 N 4.3416 8.2583 118.0013 56.2972 38.4221 176.6306 71 A 4.2152 7.9678 119.3686 52.1453 18.7447 177.0466 72 N 4.2597 7.9727 113.4594 54.8287 36.7798 176.2528 73 R 4.4571 7.6818 119.1437 54.6116 28.4529 176.1925 74 L 4.0858 7.9442 123.3098 57.2700 42.0410 178.2902 75 D 4.2965 7.9672 119.1001 56.4301 39.3498 178.4843 76 L 3.7617 7.5860 119.8780 56.9856 41.5449 179.2620 77 V 3.7009 7.7361 118.3539 66.2612 31.4800 177.8671 78 D 4.3386 8.3968 118.9081 57.0652 40.6892 178.7295 79 K 3.8729 7.8729 120.1526 59.6228 32.2648 179.1575 80 V 3.6829 8.0137 118.6004 65.8348 31.3794 177.7047 81 Q 3.9827 8.3441 119.6306 59.2069 29.0311 178.4819 82 K 3.9775 8.0969 119.4700 59.4894 31.9826 179.2227 83 E 4.0164 8.0298 118.4766 59.2699 29.3137 179.3689 84 L 4.0262 8.0418 119.1003 57.9653 41.4892 179.2024 85 D 4.3760 8.0540 117.7143 57.3870 40.8584 178.8442 86 I 3.9213 7.7126 119.9371 64.3075 37.1939 178.1800 87 L 4.2024 8.3916 121.6252 58.2772 41.9680 178.7355 88 E 4.0028 8.5288 118.4997 59.2021 29.0943 179.4128 89 V 3.5904 7.4863 117.4189 65.1996 31.5833 176.5184 90 Y 4.4966 7.8475 114.1937 57.0284 38.4032 174.8746 91 L 4.8707 6.8627 119.2276 51.6574 44.9130 174.2125 92 P 4.5101 0.0000 0.0000 61.8448 32.1148 175.7034 93 E 3.9567 8.5286 119.4575 56.7962 29.8413 176.2422 94 Q 4.4955 8.4703 124.6934 55.7454 29.8524 175.2762 95 L 4.7863 8.7538 123.9434 53.6617 42.9322 177.1149 96 S 4.3439 9.4144 118.7299 57.8566 64.2211 174.8833 97 E 3.9071 8.9357 121.1704 59.6389 29.2429 179.0176 98 E 3.9802 8.0978 118.1215 59.4301 29.6222 178.9791 99 E 3.9868 8.1075 118.6881 59.1798 29.4263 179.1996 100 L 3.9577 8.2911 120.8008 58.2028 42.1245 179.1268 101 R 3.9347 8.3479 118.4315 59.5940 29.9264 179.0796 102 T 3.8559 7.9013 115.4138 66.8521 68.4081 176.7470 103 I 3.7152 7.6256 121.1834 64.1242 37.0242 178.6105 104 V 3.5693 8.1604 119.5683 66.1623 31.3006 177.8746 105 N 4.3080 8.3434 116.2626 56.2899 38.4082 176.9656 106 E 3.9124 8.3661 120.7969 59.6440 29.7355 179.1355 107 T 4.0694 8.1741 115.8383 66.6512 68.6102 176.8752 108 I 3.6937 7.9785 121.6517 64.2331 36.9986 178.3022 109 A 3.9772 8.2386 121.9056 55.2680 18.1001 179.6328 110 E 3.9966 8.1155 114.5154 59.0296 29.6857 178.6379 111 V 4.1645 7.5020 110.3747 60.2815 31.8906 176.2522 112 G 3.8156 7.7270 106.1787 46.3325 0.0000 174.2060 113 A 4.5602 7.6032 121.4774 51.6980 19.6574 177.9373 114 S 4.6280 9.3326 111.4607 58.9385 68.6681 174.4119 115 S 5.3154 7.7797 113.3033 54.5563 65.6742 174.7219 116 K 3.9824 8.7298 119.3994 59.0132 31.2749 179.3338 117 A 4.0951 7.6469 120.4701 54.2336 18.4982 178.1599 118 D 4.6803 8.0994 116.7320 54.2925 41.1454 177.6977 119 M 4.0408 8.0329 121.4875 58.8408 32.1536 178.1593 120 G 3.7416 8.1521 105.0525 47.9998 0.0000 175.2724 121 K 3.9802 7.9723 121.8033 58.9542 32.2326 178.9819 122 V 3.5750 7.8347 118.6265 66.3293 31.5558 177.9788 123 M 4.1636 8.5987 119.0451 58.3518 31.5177 179.0506 124 G 3.5942 7.9743 105.0090 47.5677 0.0000 175.2762 125 A 4.2087 7.6865 121.9009 54.3720 18.8729 179.0207 126 I 3.9151 7.9910 117.3218 63.9319 38.0611 177.6154 127 M 4.0202 7.9637 119.6818 58.2165 31.5966 176.9722 128 P 4.2366 0.0000 0.0000 65.1395 31.5433 178.1356 129 K 4.2726 7.9876 116.2850 57.5958 32.5555 177.8147 130 V 4.3784 7.4509 109.7252 60.1274 33.7693 175.5209 131 K 3.9789 8.0909 120.1743 58.4979 32.3777 177.6632 132 G 4.0097 8.9108 110.2070 45.5892 0.0000 173.8379 133 K 4.5180 8.2335 118.2110 56.4354 33.1667 175.6810 134 A 4.7377 7.3286 119.5594 49.5231 22.0612 175.9089 135 D 4.5496 8.6016 119.7948 53.9346 42.8956 177.4005 136 G 3.8334 8.8886 113.4795 48.3358 0.0000 175.7147 137 S 4.1273 7.9392 117.1440 61.3991 62.8983 176.6252 138 L 3.9466 7.8576 122.3367 58.0904 41.8999 178.6394 139 I 3.6554 7.6823 119.6558 64.7139 37.1093 178.0223 140 N 4.3253 8.1946 117.0098 56.1853 38.3712 177.4139 141 K 3.9125 8.1246 120.9150 59.6737 32.4917 178.9782 142 L 4.0420 8.3723 119.6727 57.4810 41.2569 179.7413 143 V 3.5423 7.6790 117.5424 66.0094 31.8774 177.5471 144 S 4.2399 8.1279 112.8969 61.8032 61.9829 176.4299 145 S 4.1610 7.8889 116.2803 61.4379 62.6345 175.9331 146 Q 4.1160 7.8732 120.0879 56.6198 29.3274 175.6443 147 L 4.6274 6.8992 119.3183 53.6659 43.0057 176.7413 148 S 4.3138 9.0378 116.1004 58.6815 63.1366 174.0119 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 8.29 4.55 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 S 9.19 4.26 0.00 4.09 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 3 L 9.18 3.96 0.00 1.80 1.71 0.96 0.61 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 4 L 7.85 3.97 0.00 1.72 1.69 0.91 0.94 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 5 E 8.19 3.96 0.00 2.21 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 2.33 2.31 0.00 6 R 8.27 3.92 0.00 2.02 2.22 0.00 3.20 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.77 0.00 7 L 8.20 3.95 0.00 1.79 1.61 0.79 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.39 4.31 0.00 2.91 2.85 0.00 0.00 6.67 7.49 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 9 Q 8.19 3.93 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 10 D 8.35 4.05 0.00 2.91 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 11 M 8.32 4.11 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.63 0.00 12 K 7.81 3.96 0.00 1.92 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 13 L 7.62 3.84 0.00 1.56 1.32 0.86 0.80 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 14 Y 8.10 4.66 0.00 3.05 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 15 M 7.99 4.16 0.00 2.11 2.27 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 2.89 2.58 0.00 16 K 8.06 4.07 0.00 1.83 2.00 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 N 8.39 4.67 0.00 2.90 2.90 0.00 0.00 7.19 7.31 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 18 R 7.46 3.84 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 19 E 8.32 4.48 0.00 1.86 1.65 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 2.49 2.56 0.00 20 K 8.05 3.85 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.55 7.81 21 D 8.00 4.35 0.00 2.65 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 22 K 7.72 3.80 0.00 1.11 0.74 0.00 1.00 0.00 0.00 0.85 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.17 7.81 23 L 8.03 4.09 0.00 1.93 1.88 1.05 0.98 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 24 T 7.95 3.84 4.36 0.00 0.00 0.00 0.00 0.00 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 25 V 7.52 3.57 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 0.98 0.00 0.00 26 V 7.90 3.46 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 1.00 0.00 0.00 1.20 0.00 0.00 27 R 8.24 4.03 0.00 2.08 2.18 0.00 2.83 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.67 0.00 28 M 8.10 4.02 0.00 2.06 2.31 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 2.62 2.84 0.00 29 V 7.96 3.53 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 0.89 0.00 0.00 0.96 0.00 0.00 30 K 8.07 3.80 0.00 1.88 1.93 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 31 A 8.11 4.14 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 32 S 8.12 4.14 0.00 4.04 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 33 L 7.96 4.00 0.00 1.86 1.70 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.27 4.01 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 35 N 8.67 4.39 0.00 2.81 2.86 0.00 0.00 6.64 7.48 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 36 E 8.28 3.89 0.00 2.19 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 0.00 2.30 2.36 0.00 37 A 7.83 4.03 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 38 I 7.85 3.65 2.02 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 1.40 0.76 0.91 0.00 0.00 39 K 8.03 3.87 0.00 1.84 2.07 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 40 L 7.70 4.26 0.00 1.68 1.68 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.01 3.84 0.00 1.85 1.82 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.50 7.81 42 K 8.12 4.70 0.00 1.81 1.72 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.33 1.57 7.81 43 D 8.76 4.48 0.00 2.67 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 44 S 7.54 4.52 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 45 L 8.03 4.81 0.00 1.63 1.71 0.97 0.86 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 46 T 8.64 4.24 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 47 E 8.61 4.20 0.00 2.04 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 2.40 0.00 48 D 8.03 4.41 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.25 4.04 0.00 2.25 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 2.33 2.35 0.00 50 E 8.16 4.00 0.00 2.21 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 2.33 2.62 0.00 51 L 7.89 4.00 0.00 1.93 1.73 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.86 3.86 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 1.21 0.00 0.00 53 V 7.70 3.58 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 1.11 0.00 0.00 0.98 0.00 0.00 54 L 8.19 3.98 0.00 1.89 1.73 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.38 4.18 0.00 4.05 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 56 R 8.02 3.95 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 57 E 8.48 3.95 0.00 2.19 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 2.51 2.45 0.00 58 L 8.06 3.96 0.00 1.88 1.83 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.23 3.92 0.00 1.95 1.90 0.00 2.11 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 60 Q 8.31 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 61 R 7.82 3.99 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 K 8.28 3.97 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 63 D 8.52 4.34 0.00 2.76 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 64 S 7.99 3.79 0.00 4.01 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.08 0.00 1.87 1.83 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.88 3.97 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 67 E 8.05 3.88 0.00 1.78 1.76 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 2.22 2.48 0.00 68 F 8.31 4.59 0.00 3.19 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.24 4.15 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.26 4.34 0.00 2.91 2.88 0.00 0.00 7.08 8.13 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 71 A 7.97 4.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 4.26 0.00 2.91 2.96 0.00 0.00 6.85 6.94 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 73 R 7.68 4.46 0.00 1.83 1.82 0.00 3.27 0.00 0.00 3.15 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 74 L 7.94 4.09 0.00 1.67 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.97 4.30 0.00 2.80 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 76 L 7.59 3.76 0.00 1.16 0.24 0.27 0.53 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 77 V 7.74 3.70 2.28 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 1.14 0.00 0.00 1.14 0.00 0.00 78 D 8.40 4.34 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 79 K 7.87 3.87 0.00 1.78 1.88 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.55 1.41 7.81 80 V 8.01 3.68 2.21 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 1.04 0.00 0.00 1.23 0.00 0.00 81 Q 8.34 3.98 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 82 K 8.10 3.98 0.00 2.00 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.76 7.81 83 E 8.03 4.02 0.00 2.25 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 2.59 0.00 84 L 8.04 4.03 0.00 1.90 1.73 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.05 4.38 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.92 2.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.99 0.00 0.00 87 L 8.39 4.20 0.00 1.87 1.77 0.98 0.90 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 88 E 8.53 4.00 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 2.35 2.45 0.00 89 V 7.49 3.59 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 0.48 0.00 0.00 0.86 0.00 0.00 90 Y 7.85 4.50 0.00 3.17 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 91 L 6.86 4.87 0.00 1.65 1.57 0.96 1.23 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 92 P 0.00 4.51 0.00 2.18 2.08 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 93 E 8.53 3.96 0.00 1.95 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 0.00 2.30 2.35 0.00 94 Q 8.47 4.50 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 95 L 8.75 4.79 0.00 1.48 1.59 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 96 S 9.41 4.34 0.00 3.87 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 97 E 8.94 3.91 0.00 2.05 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 2.38 2.41 0.00 98 E 8.10 3.98 0.00 2.05 1.98 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 2.40 2.40 0.00 99 E 8.11 3.99 0.00 2.25 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 2.33 2.31 0.00 100 L 8.29 3.96 0.00 1.74 1.83 0.92 1.01 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 0.00 101 R 8.35 3.93 0.00 2.03 1.97 0.00 3.19 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 1.65 1.85 0.00 102 T 7.90 3.86 4.44 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 1.21 0.00 0.00 103 I 7.63 3.72 2.01 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 1.41 0.73 0.91 0.00 0.00 104 V 8.16 3.57 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 1.11 0.00 0.00 0.98 0.00 0.00 105 N 8.34 4.31 0.00 2.92 2.85 0.00 0.00 6.72 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 0.00 106 E 8.37 3.91 0.00 2.15 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 0.00 2.31 2.50 0.00 107 T 8.17 4.07 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 1.24 0.00 0.00 108 I 7.98 3.69 2.00 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 1.45 1.09 0.94 0.00 0.00 109 A 8.24 3.98 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 0.00 110 E 8.12 4.00 0.00 2.15 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 0.00 2.55 2.38 0.00 111 V 7.50 4.16 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 0.75 0.00 0.00 1.04 0.00 0.00 112 G 7.73 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 0.00 0.00 0.00 113 A 7.60 4.56 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 0.00 114 S 9.33 4.63 0.00 3.96 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 0.00 115 S 7.78 5.32 0.00 4.09 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 0.00 116 K 8.73 3.98 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.63 7.81 117 A 7.65 4.10 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 0.00 118 D 8.10 4.68 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 119 M 8.03 4.04 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 120 G 8.15 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.97 3.98 0.00 1.83 1.97 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 122 V 7.83 3.57 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 0.98 0.00 0.00 0.97 0.00 0.00 123 M 8.60 4.16 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 124 G 7.97 3.59 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 0.00 0.00 0.00 125 A 7.69 4.21 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 0.00 126 I 7.99 3.92 1.96 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 1.52 1.34 0.98 0.00 0.00 127 M 7.96 4.02 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 128 P 0.00 4.24 0.00 2.02 2.12 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 129 K 7.99 4.27 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.47 7.81 130 V 7.45 4.38 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 0.82 0.00 0.00 0.99 0.00 0.00 131 K 8.09 3.98 0.00 1.85 1.92 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.42 7.81 132 G 8.91 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 0.00 133 K 8.23 4.52 0.00 1.92 1.84 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.53 7.81 134 A 7.33 4.74 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 D 8.60 4.55 0.00 2.80 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 0.00 136 G 8.89 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 0.00 0.00 0.00 137 S 7.94 4.13 0.00 4.05 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 0.00 138 L 7.86 3.95 0.00 1.75 1.81 0.92 1.07 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 0.00 139 I 7.68 3.66 2.03 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 1.52 0.88 0.91 0.00 0.00 140 N 8.19 4.33 0.00 2.87 2.87 0.00 0.00 6.77 7.28 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 0.00 141 K 8.12 3.91 0.00 1.89 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 142 L 8.37 4.04 0.00 1.69 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.68 3.54 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 0.79 0.00 0.00 0.98 0.00 0.00 144 S 8.13 4.24 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.89 4.16 0.00 3.94 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 0.00 146 Q 7.87 4.12 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 147 L 6.90 4.63 0.00 1.82 1.53 0.92 1.15 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 0.00 148 S 9.04 4.31 0.00 3.95 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