NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2578 8.1127 120.8602 55.8473 31.0141 178.3083 3 R 3.7953 9.0595 117.5663 56.7098 29.9570 174.0088 4 R 4.0808 7.8735 118.9780 57.8911 31.7123 176.0526 5 V 4.6291 7.7332 112.6785 59.5965 34.0597 175.8284 6 I 3.7325 8.3427 114.2901 61.2242 36.1995 174.9789 7 G 3.5806 8.5269 110.4669 42.8071 0.0000 173.3462 8 Q 4.2807 7.0212 117.6938 54.4925 31.9297 173.4874 9 R 4.1870 8.6940 126.1579 54.6973 30.1265 175.7720 10 K 3.9098 8.6675 127.2196 56.9533 32.5879 175.7553 11 I 4.4739 7.9843 126.3699 58.9840 39.3550 175.1523 12 L 4.0621 8.3435 125.9890 54.0524 42.4101 175.2034 13 P 4.3737 0.0000 0.0000 62.4036 31.8960 175.2979 14 D 4.4081 8.7794 118.1087 54.5536 41.1778 175.7580 15 P 4.5821 0.0000 0.0000 64.2778 31.6272 176.4176 16 K 4.2553 8.2179 117.2556 55.9347 33.4299 175.9690 17 F 4.7143 8.6144 113.1098 56.9549 42.2009 174.9413 18 G 3.9887 8.6548 107.8060 45.9136 0.0000 173.0276 19 S 4.4423 7.6217 113.3846 56.2331 65.7253 175.4334 20 E 3.9974 9.2048 126.6093 59.5461 29.2220 178.9547 21 L 4.0117 7.9857 119.0194 59.2645 40.2850 179.2325 22 L 3.7608 7.8126 120.4179 56.9272 41.4454 178.7967 23 A 3.9345 8.4051 120.4789 55.8859 18.1836 179.3891 24 K 3.8064 8.3183 116.2371 59.3884 32.3217 179.1224 25 F 4.0462 7.8212 119.6134 61.3521 39.2382 177.3572 26 V 3.7942 8.0169 109.7140 63.2986 31.1083 177.3625 27 N 4.6036 7.6915 116.6912 55.1792 38.6886 177.4166 28 I 3.6599 7.4413 120.6852 64.3262 37.3203 178.0638 29 L 3.9236 7.2247 118.9672 56.7672 42.2195 176.9992 30 M 4.1570 6.6791 117.0234 55.7776 32.9344 175.4707 31 V 4.4675 7.8370 121.6445 61.0125 34.5854 174.2453 32 D 4.4239 9.7464 118.3067 55.2117 38.4677 173.7905 33 G 3.9536 8.0784 103.0003 47.0404 0.0000 176.1425 34 K 4.4382 8.1714 117.3917 54.0596 29.0540 176.0902 35 K 3.8400 7.8161 124.4720 59.9210 32.5693 177.1415 36 S 4.2513 8.1829 113.5407 62.0294 62.6581 176.0946 37 T 3.8659 7.9921 119.1861 66.3991 68.2763 175.4644 38 A 3.9343 8.1527 121.8567 55.2605 18.2371 179.1034 39 E 3.7274 8.8939 115.5700 59.8305 29.7500 179.9858 40 S 4.3647 8.4116 114.5737 62.1303 62.5049 177.1049 41 I 3.7197 7.8609 122.0814 64.2952 36.8367 178.5839 42 V 3.6396 8.0327 119.3507 66.4081 31.2934 177.7441 43 Y 4.2735 7.8410 116.4453 60.9476 37.5928 178.0782 44 S 4.2730 8.5059 114.2263 61.9358 62.3623 176.4243 45 A 4.1427 7.8563 121.9504 54.4903 18.2149 179.3608 46 L 3.8896 7.9995 119.2590 58.5880 42.1578 179.1691 47 E 4.1014 9.0700 119.2808 59.4870 29.2632 179.4481 48 T 3.8736 7.7088 115.6479 66.4900 68.4768 176.2896 49 L 3.9058 8.2468 122.1244 58.1705 41.9599 178.5078 50 A 4.5503 7.5649 120.4720 54.7784 18.5341 179.0158 51 Q 4.0726 8.4305 118.0304 59.7599 28.9315 178.2708 52 R 3.9182 7.9919 117.9576 59.6799 30.4229 178.6400 53 S 4.3189 8.6671 112.7085 59.0730 62.9552 176.3354 54 G 4.0648 7.9570 113.2065 46.0151 0.0000 174.6474 55 K 4.2576 7.9147 118.6763 55.6188 33.7994 176.3362 56 S 4.3520 8.4594 114.7036 58.7503 64.1066 175.4354 57 E 3.8923 8.6378 126.2759 59.5990 29.4353 179.4727 58 L 3.4295 7.0580 118.3663 58.9946 40.0019 179.3818 59 E 3.9115 8.0154 118.3711 59.2891 29.8143 178.6182 60 A 4.1505 7.7382 120.5953 55.0639 18.2865 179.4515 61 F 3.9439 8.9096 120.0875 61.4982 39.5047 176.8623 62 E 3.6351 8.1340 118.6652 59.1201 29.1571 178.6738 63 V 4.2947 8.1672 118.6535 65.4234 31.8444 177.2824 64 A 4.1849 7.8010 120.0515 55.4171 18.0461 179.4956 65 L 3.7322 7.4259 117.0609 58.0174 41.6970 179.5030 66 E 3.4043 8.6035 118.5422 58.9551 29.1153 178.6635 67 N 4.6147 7.6799 114.8915 54.7371 39.9652 176.4708 68 V 3.7979 7.6645 118.5668 65.5184 31.9831 176.4774 69 R 3.8403 8.6842 120.1590 56.1013 30.9950 174.6508 70 P 5.0747 0.0000 0.0000 62.4714 30.9351 177.0313 71 T 4.4746 8.3671 115.9985 62.3968 68.9849 172.6539 72 V 5.1965 7.7866 112.6563 59.9096 35.9254 174.0827 73 E 4.8179 9.5940 121.4848 55.6186 33.6687 173.8312 74 V 4.7904 8.3013 112.5361 59.8497 33.6466 176.1428 75 K 4.4465 9.0452 125.4292 54.3262 34.0417 175.5745 76 S 4.3073 8.7349 121.9065 58.6922 62.9649 174.6577 77 R 4.3708 8.6497 125.9455 55.0220 31.7918 172.8848 78 R 4.3658 8.4478 124.9204 55.7437 28.4055 173.9974 79 V 4.2258 7.7540 121.9079 61.3252 34.6683 175.5384 80 G 3.5899 8.9214 114.6139 47.1928 0.0000 174.6321 81 G 3.9475 8.2022 103.2671 45.8345 0.0000 173.3540 82 S 4.5450 7.8177 114.4318 56.1812 65.5727 173.7751 83 T 4.0848 8.0774 113.5994 61.7735 70.2413 173.3763 84 Y 4.8408 8.0353 119.0051 55.9008 42.6164 176.0492 85 Q 4.8983 7.9141 123.7566 54.8693 28.2151 176.1890 86 V 3.6961 7.4223 120.0118 62.8480 32.9191 174.6270 87 P 5.1812 0.0000 0.0000 62.5578 32.9731 175.7088 88 V 4.2725 8.3946 116.5969 61.0001 34.6181 171.8979 89 E 4.7394 9.0977 123.2688 56.7988 30.7390 176.3122 90 V 4.4054 8.4248 114.2307 59.4728 34.1997 176.6985 91 R 3.9755 8.8231 124.8246 55.4970 30.2554 174.5661 92 P 4.2076 0.0000 0.0000 65.7099 30.4727 178.5614 93 V 3.5466 7.6849 111.2152 63.7166 31.8427 178.7207 94 R 3.8359 7.8635 117.5327 59.5166 30.1187 177.7550 95 R 3.7142 7.9785 118.4307 59.8752 29.8488 177.6853 96 N 4.1216 8.0721 115.1071 56.5558 38.6006 176.7557 97 A 3.9219 7.5486 121.3616 55.3725 18.3724 179.2502 98 L 3.4284 7.7299 116.0924 57.7732 41.7236 179.5557 99 A 3.4148 7.0603 120.0265 55.4583 18.2297 179.4252 100 M 4.1737 8.0654 117.0030 58.6418 32.1068 178.8932 101 R 3.8193 8.1218 118.9142 59.3484 30.2311 178.3237 102 W 4.4549 8.4041 118.9922 60.0107 28.9978 178.2933 103 I 3.8082 8.0808 119.5897 64.9772 36.6227 178.1189 104 V 3.5839 7.8778 118.7391 65.7827 31.0469 177.4084 105 E 3.9154 8.2155 118.3937 59.6912 29.9917 179.4130 106 A 4.1253 8.2729 120.0524 55.0650 18.4220 179.3957 107 A 3.9681 8.2845 119.5447 55.6527 18.2962 180.0057 108 R 3.9366 8.4181 115.2495 58.9251 30.4865 178.3863 109 K 4.4553 7.6497 115.8974 56.4111 32.0427 178.0696 110 R 4.3447 8.4084 119.4383 56.2167 29.6789 176.9637 111 G 4.1676 7.4615 105.0267 46.2041 0.0000 175.7269 112 D 4.7266 7.4038 120.1294 53.9475 40.0869 176.2440 113 K 4.2164 8.1795 120.4626 58.4408 33.2230 176.5210 114 S 4.8215 7.3693 113.5603 56.3183 66.6661 174.6941 115 M 3.8056 8.8049 122.1456 59.1515 31.7709 178.2782 116 A 4.0062 8.1479 120.0219 55.3445 18.3747 179.0836 117 L 3.8860 7.8664 118.2454 58.4101 42.1256 179.1717 118 R 3.9108 7.9974 117.3208 59.2685 30.0382 178.3328 119 L 3.9736 8.5787 119.9483 58.2808 41.9237 178.7603 120 A 4.0193 8.3776 120.7139 55.4832 18.4049 179.2750 121 N 4.2917 8.5065 115.2007 56.6080 38.6513 177.3578 122 E 4.0199 8.5824 120.8559 59.1467 29.5028 178.8053 123 L 4.1159 7.9528 118.3734 57.5658 41.8141 179.1562 124 S 4.2982 7.8148 115.9431 61.0237 62.6841 175.8088 125 D 4.8191 8.4172 122.3249 57.0841 40.6816 179.3791 126 A 4.0480 8.0297 120.4926 55.0268 18.1297 179.2565 127 A 4.3081 7.6969 114.7266 52.9150 18.3991 178.1248 128 E 4.5237 8.8164 115.4565 56.5720 30.6794 174.1916 129 N 4.4178 8.4415 116.9227 54.4782 35.2602 172.6783 130 K 4.5173 8.5372 117.4358 57.3472 38.3446 176.6298 131 G 3.9744 7.7903 107.4843 44.6905 0.0000 174.0433 132 T 3.9333 8.5878 108.6387 64.2966 68.6259 176.1497 133 A 4.0731 8.2909 124.5806 55.2093 18.6059 179.6720 134 V 3.6777 7.8729 109.6102 64.3300 31.7005 178.6274 135 K 3.8218 7.8090 119.2969 59.3865 31.9679 178.4808 136 K 4.0484 7.6718 120.9909 58.7972 31.9497 178.1141 137 R 3.9749 7.6310 118.6364 60.0132 29.9496 178.1427 138 E 4.0188 8.0741 117.5352 59.4325 29.5109 179.1686 139 D 4.2920 7.8375 118.9105 57.2529 40.8837 178.8307 140 V 3.5082 7.8454 118.8855 66.5622 30.6224 177.8748 141 H 4.3426 8.0284 115.6649 58.7620 28.2449 177.8459 142 R 4.2033 7.8654 120.2079 59.2865 29.6495 177.9826 143 M 4.1618 8.0849 117.8981 57.8783 32.3068 176.4247 144 A 4.3103 6.9189 120.0884 52.7278 19.6575 176.5481 145 E 4.0622 9.0695 123.5596 57.5775 28.8663 175.9540 146 A 4.2614 7.3338 117.4531 53.6672 18.5110 177.3243 147 N 5.0664 7.8362 111.2878 52.1816 40.6512 175.7769 148 K 3.8987 8.4678 121.2245 58.2984 32.4407 178.2832 149 A 3.7574 7.7428 120.4538 55.3526 18.2259 178.3461 150 F 4.3519 7.7854 112.7724 58.6498 39.6312 175.8120 151 A 4.2016 7.9593 128.4946 52.3489 18.0808 177.0373 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 R 8.11 4.26 0.00 1.86 1.03 0.00 3.15 0.00 0.00 3.34 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 3 R 9.06 3.80 0.00 1.89 1.94 0.00 3.32 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 4 R 7.87 4.08 0.00 1.75 1.85 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 5 V 7.73 4.63 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 0.81 0.00 0.00 0.93 0.00 0.00 6 I 8.34 3.73 1.87 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 1.35 0.40 0.91 0.00 0.00 7 G 8.53 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 0.00 0.00 0.00 8 Q 7.02 4.28 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.92 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 9 R 8.69 4.19 0.00 1.81 1.84 0.00 3.31 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 10 K 8.67 3.91 0.00 1.76 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 I 7.98 4.47 1.89 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 1.31 0.75 0.92 0.00 0.00 12 L 8.34 4.06 0.00 1.61 1.60 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.37 0.00 2.24 2.08 0.00 3.87 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 14 D 8.78 4.41 0.00 2.98 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 15 P 0.00 4.58 0.00 2.25 2.21 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 16 K 8.22 4.26 0.00 1.04 1.24 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.75 0.64 7.81 17 F 8.61 4.71 0.00 3.24 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 18 G 8.65 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 19 S 7.62 4.44 0.00 3.95 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 20 E 9.20 4.00 0.00 2.05 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 2.43 2.41 0.00 21 L 7.99 4.01 0.00 1.97 1.97 0.97 0.34 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 22 L 7.81 3.76 0.00 1.71 1.70 0.66 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.41 3.93 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 24 K 8.32 3.81 0.00 1.90 1.90 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 25 F 7.82 4.05 0.00 3.32 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.02 3.79 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 0.82 0.00 0.00 0.98 0.00 0.00 27 N 7.69 4.60 0.00 2.82 2.82 0.00 0.00 6.86 7.17 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 28 I 7.44 3.66 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.79 0.00 0.00 29 L 7.22 3.92 0.00 1.31 1.49 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 M 6.68 4.16 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 31 V 7.84 4.47 2.06 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 0.77 0.00 0.00 0.92 0.00 0.00 32 D 9.75 4.42 0.00 2.77 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 33 G 8.08 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 34 K 8.17 4.44 0.00 1.81 1.76 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.61 7.81 35 K 7.82 3.84 0.00 1.82 1.84 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.54 7.81 36 S 8.18 4.25 0.00 4.11 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 37 T 7.99 3.87 4.38 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 1.22 0.00 0.00 38 A 8.15 3.93 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 39 E 8.89 3.73 0.00 2.28 2.36 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 2.42 2.57 0.00 40 S 8.41 4.36 0.00 4.04 4.02 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 0.00 0.00 0.00 41 I 7.86 3.72 2.07 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 1.43 1.33 0.93 0.00 0.00 42 V 8.03 3.64 1.83 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 0.91 0.00 0.00 0.97 0.00 0.00 43 Y 7.84 4.27 0.00 3.13 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.51 4.27 0.00 3.94 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 0.00 45 A 7.86 4.14 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 46 L 8.00 3.89 0.00 2.05 1.89 0.70 0.78 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 47 E 9.07 4.10 0.00 2.05 2.06 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 2.78 2.60 0.00 48 T 7.71 3.87 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 1.24 0.00 0.00 49 L 8.25 3.91 0.00 1.90 1.67 0.93 1.26 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 50 A 7.56 4.55 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 51 Q 8.43 4.07 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 52 R 7.99 3.92 0.00 2.01 1.96 0.00 3.24 0.00 0.00 3.29 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 53 S 8.67 4.32 0.00 4.03 4.11 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 54 G 7.96 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 55 K 7.91 4.26 0.00 2.12 1.94 0.00 1.35 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.37 7.81 56 S 8.46 4.35 0.00 3.94 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 57 E 8.64 3.89 0.00 1.72 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 2.64 2.51 0.00 58 L 7.06 3.43 0.00 1.86 1.76 0.88 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.02 3.91 0.00 2.02 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 2.38 2.46 0.00 60 A 7.74 4.15 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 61 F 8.91 3.94 0.00 2.95 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.13 3.64 0.00 2.28 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 2.31 2.47 0.00 63 V 8.17 4.29 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 0.73 0.00 0.00 0.94 0.00 0.00 64 A 7.80 4.18 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 65 L 7.43 3.73 0.00 1.56 1.50 -0.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.60 3.40 0.00 2.16 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 2.29 2.69 0.00 67 N 7.68 4.61 0.00 2.94 2.85 0.00 0.00 6.92 7.71 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 68 V 7.66 3.80 2.06 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 1.01 0.00 0.00 1.03 0.00 0.00 69 R 8.68 3.84 0.00 1.70 1.85 0.00 3.14 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 70 P 0.00 5.07 0.00 2.38 2.19 0.00 3.72 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.66 0.00 71 T 8.37 4.47 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 1.03 0.00 0.00 72 V 7.79 5.20 2.12 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 0.77 0.00 0.00 0.90 0.00 0.00 73 E 9.59 4.82 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 74 V 8.30 4.79 2.12 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 0.80 0.00 0.00 0.96 0.00 0.00 75 K 9.05 4.45 0.00 1.69 1.69 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.50 7.81 76 S 8.73 4.31 0.00 3.91 3.78 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 77 R 8.65 4.37 0.00 1.96 1.77 0.00 3.20 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 78 R 8.45 4.37 0.00 1.82 1.82 0.00 3.30 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 79 V 7.75 4.23 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 0.86 0.00 0.00 0.97 0.00 0.00 80 G 8.92 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 81 G 8.20 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 82 S 7.82 4.55 0.00 3.64 3.78 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 83 T 8.08 4.08 4.17 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 1.14 0.00 0.00 84 Y 8.04 4.84 0.00 2.78 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 0.00 0.00 0.00 0.00 85 Q 7.91 4.90 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 86 V 7.42 3.70 2.06 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 1.02 0.00 0.00 0.75 0.00 0.00 87 P 0.00 5.18 0.00 2.16 2.11 0.00 3.98 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 2.04 2.03 0.00 88 V 8.39 4.27 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 0.79 0.00 0.00 0.95 0.00 0.00 89 E 9.10 4.74 0.00 1.86 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 2.32 2.41 0.00 90 V 8.42 4.41 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 0.75 0.00 0.00 0.96 0.00 0.00 91 R 8.82 3.98 0.00 1.91 1.90 0.00 3.19 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 92 P 0.00 4.21 0.00 2.25 2.20 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 93 V 7.68 3.55 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 0.82 0.00 0.00 0.92 0.00 0.00 94 R 7.86 3.84 0.00 1.82 2.01 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 95 R 7.98 3.71 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 96 N 8.07 4.12 0.00 2.86 2.85 0.00 0.00 7.01 7.33 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 97 A 7.55 3.92 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 98 L 7.73 3.43 0.00 1.14 0.46 0.89 0.78 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 99 A 7.06 3.41 1.18 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 0.00 100 M 8.07 4.17 0.00 2.33 2.35 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 2.89 2.90 0.00 101 R 8.12 3.82 0.00 1.89 2.05 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 102 W 8.40 4.45 0.00 3.53 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 0.00 103 I 8.08 3.81 2.28 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 1.50 1.08 1.09 0.00 0.00 104 V 7.88 3.58 2.12 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 0.91 0.00 0.00 0.65 0.00 0.00 105 E 8.22 3.92 0.00 2.16 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 2.38 2.39 0.00 106 A 8.27 4.13 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 0.00 107 A 8.28 3.97 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 0.00 108 R 8.42 3.94 0.00 1.90 2.03 0.00 3.12 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 109 K 7.65 4.46 0.00 1.98 1.81 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.60 7.81 110 R 8.41 4.34 0.00 2.00 2.19 0.00 3.30 0.00 0.00 3.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 111 G 7.46 4.17 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 0.00 0.00 0.00 112 D 7.40 4.73 0.00 2.67 2.56 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 0.00 113 K 8.18 4.22 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 114 S 7.37 4.82 0.00 3.85 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 0.00 115 M 8.80 3.81 0.00 2.13 2.11 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 2.70 2.72 0.00 116 A 8.15 4.01 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.87 3.89 0.00 1.84 1.74 0.94 1.11 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 0.00 118 R 8.00 3.91 0.00 1.98 2.16 0.00 3.22 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 119 L 8.58 3.97 0.00 1.82 1.98 1.17 1.31 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 0.00 120 A 8.38 4.02 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 0.00 121 N 8.51 4.29 0.00 2.90 2.90 0.00 0.00 6.75 7.22 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 0.00 122 E 8.58 4.02 0.00 2.17 2.14 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 2.51 2.45 0.00 123 L 7.95 4.12 0.00 1.90 1.74 0.99 0.85 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 0.00 124 S 7.81 4.30 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.42 4.82 0.00 2.80 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 0.00 126 A 8.03 4.05 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 0.00 127 A 7.70 4.31 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 E 8.82 4.52 0.00 2.06 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 2.31 2.39 0.00 129 N 8.44 4.42 0.00 2.86 2.89 0.00 0.00 6.82 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 0.00 130 K 8.54 4.52 0.00 1.71 1.73 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.53 7.81 131 G 7.79 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 0.00 0.00 0.00 132 T 8.59 3.93 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 1.19 0.00 0.00 133 A 8.29 4.07 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 0.00 134 V 7.87 3.68 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 1.06 0.00 0.00 1.00 0.00 0.00 135 K 7.81 3.82 0.00 1.84 1.89 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.56 7.81 136 K 7.67 4.05 0.00 1.48 1.47 0.00 1.15 0.00 0.00 1.11 0.00 0.00 2.14 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 0.21 7.81 137 R 7.63 3.97 0.00 2.49 2.31 0.00 3.43 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.34 0.00 138 E 8.07 4.02 0.00 2.18 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 2.36 2.51 0.00 139 D 7.84 4.29 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.85 3.51 2.13 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 1.12 0.00 0.00 0.79 0.00 0.00 141 H 8.03 4.34 0.00 3.26 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.87 4.20 0.00 2.07 2.12 0.00 3.25 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 143 M 8.08 4.16 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 144 A 6.92 4.31 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 0.00 145 E 9.07 4.06 0.00 2.25 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 2.26 2.35 0.00 146 A 7.33 4.26 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 0.00 147 N 7.84 5.07 0.00 2.91 3.06 0.00 0.00 6.73 8.21 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 0.00 148 K 8.47 3.90 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.40 7.81 149 A 7.74 3.76 0.73 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 0.00 0.00 150 F 7.79 4.35 0.00 2.94 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 0.00 151 A 7.96 4.20 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