NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4132 8.3044 120.3281 54.7475 33.4778 174.3208 2 E 3.8605 8.2907 120.5646 55.0538 30.2077 174.5933 3 A 4.0706 9.2740 128.8875 52.8481 19.8167 177.4613 4 L 4.0231 8.4892 121.8330 55.9053 42.0813 178.5383 5 G 3.9095 10.0990 104.5133 44.8168 0.0000 172.3016 6 A 4.7545 7.2757 117.9038 50.6128 22.3430 176.3143 7 D 4.6478 9.1464 121.9302 53.7373 42.3417 175.6947 8 V 4.5791 8.4194 123.0396 61.4605 34.0403 175.2184 9 T 4.3909 7.9145 124.4402 61.5663 68.6031 173.7212 10 Q 3.7830 8.6235 124.8792 56.4709 28.6993 178.0816 11 G 3.8916 8.8079 111.1370 45.4819 0.0000 172.4409 12 L 4.8025 7.8736 119.9779 52.9714 44.7515 175.0285 13 E 5.0281 8.4147 117.9006 54.1837 33.6526 175.2259 14 K 3.9299 8.3271 122.4647 58.4963 32.4085 177.3486 15 G 4.0046 8.8181 115.1297 45.0274 0.0000 173.8634 16 S 4.3186 8.2481 116.7472 58.5463 64.2611 173.3570 17 L 5.1547 8.4403 123.3451 53.3644 42.9388 175.6446 18 I 4.6099 8.8071 117.5547 59.0091 41.5659 174.4675 19 T 4.4333 8.6907 119.1488 63.1986 69.8965 174.4879 20 C 4.7979 8.4859 126.9608 57.2201 30.9782 174.1511 21 A 4.5206 8.4093 134.6248 50.4849 15.9895 174.8728 22 D 5.4992 7.6469 119.1265 53.7635 42.5575 175.6646 23 N 4.9579 8.4780 116.2898 53.0952 37.4243 176.3460 24 T 3.9211 8.5559 110.6202 63.6924 68.9191 175.0864 25 G 3.9432 7.9558 109.7043 45.0193 0.0000 172.8630 26 A 4.7079 7.1864 122.2504 51.1947 20.4057 176.2843 27 R 4.4562 9.2029 121.4634 57.3457 32.5213 175.5814 28 E 5.0422 8.0363 119.2528 54.2773 32.3084 174.0232 29 L 5.1142 9.0785 126.7771 52.8070 45.1580 175.1814 30 K 4.9738 8.7753 124.1481 54.3159 34.4965 175.5678 31 V 3.9176 8.8532 128.6546 63.5340 32.1120 176.3313 32 I 4.3848 8.3376 125.7100 62.7257 40.1795 175.9041 33 S 4.6760 7.8131 114.6455 57.4492 67.3738 173.6920 34 V 4.5113 8.2105 122.3126 61.1266 33.3896 174.4430 35 H 4.0937 9.2560 128.9784 57.2837 30.3265 174.9075 36 G 4.0240 8.5283 113.3184 46.6756 0.0000 171.9350 37 Y 4.7664 7.6095 118.7181 55.1532 40.9790 174.9702 38 S 4.3799 7.3591 119.7933 56.4942 66.7303 173.4785 39 G 4.0365 7.9643 118.9761 45.3213 0.0000 173.6288 40 T 4.5812 8.1109 117.5856 59.4972 70.5279 172.6010 41 K 3.8334 8.5156 125.8205 58.4702 32.2635 176.9265 42 N 4.4415 8.9170 121.1666 53.4599 36.9166 174.1436 43 R 4.1651 7.9296 119.5500 55.2260 30.5593 175.7091 44 L 4.1620 8.4986 126.3677 53.5215 42.1927 174.8143 45 P 4.5414 0.0000 0.0000 63.5205 31.8094 175.4982 46 K 4.8926 8.2857 123.5103 55.5984 34.7203 175.8540 47 A 4.5037 8.7471 123.1744 50.4650 22.9286 175.4714 48 G 4.6005 9.7048 109.1646 43.6313 0.0000 171.4814 49 L 4.0899 9.0558 121.5839 56.9824 42.1426 177.8033 50 G 4.1106 8.9989 113.6508 45.4189 0.0000 173.1061 51 D 4.8545 7.8179 119.5511 53.3874 43.1453 175.3462 52 K 4.8330 8.6252 122.5282 54.9450 33.9142 174.9439 53 I 5.0208 8.6100 121.5038 59.3401 40.9554 174.9190 54 T 4.5905 8.7267 120.9920 63.4176 70.0938 174.0475 55 V 4.9788 8.9086 124.1369 61.6773 35.8244 173.2015 56 S 5.6784 8.8056 118.6262 55.5708 66.5659 173.3832 57 V 4.2908 8.1692 121.9777 62.8611 31.7525 176.5157 58 T 3.9793 8.9497 125.9986 66.2253 68.7131 175.3436 59 K 4.5906 9.0277 119.6194 54.4660 36.3362 176.9615 60 G 3.7719 8.7117 108.7340 44.1935 0.0000 172.8134 61 T 3.9727 8.0460 110.5214 61.2708 69.1336 173.1418 62 P 4.2292 0.0000 0.0000 66.0091 31.5949 177.6791 63 E 4.1141 8.2457 115.8345 59.6967 29.4767 178.3059 64 M 4.2241 7.7541 116.6264 57.5043 32.3504 177.4383 65 R 4.1123 7.7880 117.9703 57.3865 30.6235 178.1330 66 R 4.0372 8.3469 118.0087 56.6910 29.5135 176.9646 67 Q 4.2252 7.5017 117.2273 55.6787 30.3439 175.6208 68 V 4.3115 8.3269 121.9235 61.6071 32.4900 174.3867 69 L 4.8632 8.6604 127.4012 52.8764 45.6980 175.3345 70 E 5.0888 8.4462 118.3724 55.4403 32.2878 175.0862 71 A 4.7991 8.6418 122.6380 51.1447 23.7765 174.9909 72 V 4.4862 8.0911 118.3544 60.9363 34.7827 174.7938 73 V 4.0765 8.4266 127.7990 62.8245 31.4102 176.2392 74 V 3.9174 8.6354 128.5767 64.2261 33.4278 175.8602 75 R 4.2296 7.4211 117.6733 54.2017 34.7768 174.3116 76 Q 4.9353 8.2948 119.0849 54.7176 31.7972 176.2052 77 R 4.3118 9.1671 120.3655 58.5459 30.4590 177.7137 78 K 4.1926 7.8867 118.8701 55.5062 31.3084 175.3306 79 P 4.8623 0.0000 0.0000 63.0905 32.7693 175.0654 80 I 4.8890 8.5301 114.7397 59.1992 41.3987 173.8783 81 R 4.9703 9.0956 124.6078 54.9899 31.8301 175.4120 82 R 4.7490 8.6157 125.0572 54.4005 32.0808 176.0441 83 P 4.1259 0.0000 0.0000 65.9802 31.4672 177.1291 84 D 4.4986 7.9760 114.3246 53.7764 39.7251 176.6059 85 G 4.0359 9.1364 110.2108 45.6804 0.0000 174.4767 86 T 4.0748 7.6389 116.6384 63.8632 69.5117 173.9065 87 R 5.0833 8.4279 123.3694 55.0539 32.3942 175.9462 88 V 4.5162 8.6632 121.5378 60.9927 34.7375 174.4323 89 K 4.9763 8.3687 125.4379 55.3756 35.5732 175.4662 90 F 4.6557 8.7166 120.1198 55.7181 41.4230 176.6440 91 E 4.0575 9.0117 120.4937 58.9311 29.8047 175.2086 92 D 4.7134 7.7154 115.3687 52.6102 42.3328 173.3513 93 N 5.1642 8.8593 115.1583 52.0618 41.2956 173.8265 94 A 5.2891 9.0756 124.9219 50.3552 23.4025 174.2571 95 A 4.9428 9.3448 119.7092 50.5630 23.5503 175.4882 96 V 4.5313 8.2088 119.9577 60.6513 34.2649 175.2407 97 I 4.1805 8.3754 128.6988 61.9118 38.0734 175.3130 98 V 4.8883 8.8210 125.4033 61.3974 35.0562 175.1464 99 D 4.9035 8.1183 124.6096 51.8790 41.9782 176.2237 100 E 3.9254 8.9269 117.3520 60.2966 29.7488 177.7580 101 N 4.7079 9.1163 114.8504 52.9077 38.4376 175.6136 102 E 3.7023 8.0493 115.2088 57.2384 28.0865 173.7724 103 D 4.9868 7.9887 118.4617 51.3630 40.6559 174.3520 104 P 4.5825 0.0000 0.0000 63.3996 31.3098 177.2924 105 R 3.9458 8.6857 123.0599 58.3807 30.2093 176.5321 106 G 4.0121 7.1219 104.0897 44.7527 0.0000 173.0824 107 T 4.3994 8.4010 113.8605 63.9688 69.9190 175.2376 108 E 4.7337 9.4610 121.4980 54.4712 34.0411 174.5336 109 L 4.8613 8.5311 123.9144 53.4761 42.8833 176.2274 110 K 4.1895 8.4505 124.5976 56.5691 33.0281 178.3182 111 G 3.9544 8.9147 111.2782 44.0687 0.0000 170.5924 112 P 4.8745 0.0000 0.0000 63.0303 32.6835 175.1980 113 I 4.6162 8.1568 117.2252 59.9815 42.1139 174.5778 114 A 4.9794 8.0839 126.3084 51.4804 19.6790 179.2744 115 R 3.9527 8.8073 118.3590 59.4162 29.1700 179.2431 116 E 4.0008 8.3193 118.8418 59.3730 29.3107 179.3261 117 V 3.6576 7.8332 117.7054 65.5161 31.5743 177.8658 118 A 4.0118 7.9422 120.4494 55.4472 18.0572 179.5009 119 Q 3.9407 7.3641 114.7126 58.5195 28.7175 178.8067 120 R 4.2294 7.0269 116.5643 56.4302 31.8789 177.0828 121 F 4.7170 7.8234 123.6747 55.3492 39.3276 176.7920 122 G 3.5480 8.5879 112.7430 47.7598 0.0000 173.2244 123 S 4.2332 8.1441 118.1599 59.8616 62.5435 176.6749 124 V 3.5582 7.7733 121.6474 66.0552 31.5983 177.6624 125 A 4.1234 8.0043 120.6894 54.7987 18.1417 178.9223 126 S 4.6656 8.8943 112.4972 58.6158 63.4073 175.4373 127 A 4.5986 7.6167 121.1670 52.3461 21.4810 177.2393 128 A 4.2128 8.2932 120.4631 52.1586 19.1286 178.0913 129 T 4.0886 8.6420 120.2658 66.4184 68.6737 174.7604 130 M 4.8405 7.8216 119.9930 53.6175 35.8434 174.7818 131 I 4.6910 8.2557 122.1967 59.3773 39.6229 175.5137 132 V 3.8928 8.6637 126.4722 62.9081 31.5380 175.4787 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.41 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.29 3.86 0.00 1.92 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 2.25 2.33 0.00 3 A 9.27 4.07 1.24 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 0.00 0.00 0.00 4 L 8.49 4.02 0.00 1.66 1.75 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 G 10.10 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 0.00 0.00 0.00 6 A 7.28 4.75 1.22 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 0.00 0.00 7 D 9.15 4.65 0.00 2.61 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 8 V 8.42 4.58 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 0.86 0.00 0.00 1.01 0.00 0.00 9 T 7.91 4.39 4.26 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 1.22 0.00 0.00 10 Q 8.62 3.78 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 11 G 8.81 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.87 4.80 0.00 1.81 1.52 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.41 5.03 0.00 1.98 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 2.19 2.21 0.00 14 K 8.33 3.93 0.00 1.71 1.74 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.60 7.81 15 G 8.82 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 0.00 0.00 0.00 16 S 8.25 4.32 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.44 5.15 0.00 1.50 1.59 0.96 0.76 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 18 I 8.81 4.61 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.05 0.88 0.00 0.00 19 T 8.69 4.43 4.21 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 1.19 0.00 0.00 20 C 8.49 4.80 0.00 2.97 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.41 4.52 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 22 D 7.65 5.50 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.48 4.96 0.00 2.85 3.02 0.00 0.00 5.73 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 24 T 8.56 3.92 4.22 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 1.22 0.00 0.00 25 G 7.96 3.94 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 0.00 0.00 0.00 26 A 7.19 4.71 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 27 R 9.20 4.46 0.00 1.80 1.93 0.00 3.07 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 28 E 8.04 5.04 0.00 2.00 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 2.25 2.28 0.00 29 L 9.08 5.11 0.00 1.53 1.49 0.88 0.61 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 30 K 8.78 4.97 0.00 1.76 1.76 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.85 3.92 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 0.92 0.00 0.00 0.95 0.00 0.00 32 I 8.34 4.38 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 1.22 0.95 0.92 0.00 0.00 33 S 7.81 4.68 0.00 3.76 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 34 V 8.21 4.51 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 0.91 0.00 0.00 0.79 0.00 0.00 35 H 9.26 4.09 0.00 3.39 3.27 0.00 6.15 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 36 G 8.53 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 0.00 0.00 0.00 37 Y 7.61 4.77 0.00 2.90 3.02 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 38 S 7.36 4.38 0.00 3.79 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 39 G 7.96 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 0.00 0.00 0.00 40 T 8.11 4.58 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 1.23 0.00 0.00 41 K 8.52 3.83 0.00 1.75 1.74 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 8.92 4.44 0.00 2.94 3.00 0.00 0.00 7.01 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 43 R 7.93 4.17 0.00 1.80 2.05 0.00 3.36 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 44 L 8.50 4.16 0.00 1.91 1.62 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.54 0.00 2.17 2.46 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 46 K 8.29 4.89 0.00 1.66 1.76 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.19 1.13 7.81 47 A 8.75 4.50 1.11 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 0.00 0.00 48 G 9.70 4.60 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 49 L 9.06 4.09 0.00 1.74 1.63 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.00 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 0.00 0.00 0.00 51 D 7.82 4.85 0.00 2.73 2.60 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 52 K 8.63 4.83 0.00 1.82 1.70 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.72 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.33 1.40 7.81 53 I 8.61 5.02 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.87 0.00 0.00 54 T 8.73 4.59 4.25 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 1.21 0.00 0.00 55 V 8.91 4.98 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 1.02 0.00 0.00 0.94 0.00 0.00 56 S 8.81 5.68 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 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 0.98 0.00 0.00 0.93 0.00 0.00 58 T 8.95 3.98 4.35 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 1.31 0.00 0.00 59 K 9.03 4.59 0.00 1.73 1.64 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.71 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.05 3.97 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 1.24 0.00 0.00 62 P 0.00 4.23 0.00 2.05 2.17 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 63 E 8.25 4.11 0.00 1.95 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 2.31 2.28 0.00 64 M 7.75 4.22 0.00 2.01 2.11 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 2.77 2.64 0.00 65 R 7.79 4.11 0.00 2.05 1.84 0.00 3.21 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 66 R 8.35 4.04 0.00 2.01 2.10 0.00 3.15 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 1.54 1.58 0.00 67 Q 7.50 4.23 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.33 4.31 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 0.80 0.00 0.00 0.93 0.00 0.00 69 L 8.66 4.86 0.00 1.59 1.50 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.45 5.09 0.00 1.87 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 2.27 2.27 0.00 71 A 8.64 4.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.09 4.49 1.73 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 0.52 0.00 0.00 -0.19 0.00 0.00 73 V 8.43 4.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 74 V 8.64 3.92 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 0.75 0.00 0.00 0.90 0.00 0.00 75 R 7.42 4.23 0.00 1.45 1.22 0.00 3.13 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 76 Q 8.29 4.94 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 77 R 9.17 4.31 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 78 K 7.89 4.19 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.55 7.81 79 P 0.00 4.86 0.00 2.12 1.97 0.00 3.60 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 2.12 2.10 0.00 80 I 8.53 4.89 2.04 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 1.36 0.84 0.99 0.00 0.00 81 R 9.10 4.97 0.00 1.86 1.82 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 82 R 8.62 4.75 0.00 1.83 1.82 0.00 3.22 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 83 P 0.00 4.13 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 84 D 7.98 4.50 0.00 2.78 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 85 G 9.14 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 86 T 7.64 4.07 4.26 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 1.19 0.00 0.00 87 R 8.43 5.08 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.66 4.52 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 0.74 0.00 0.00 0.89 0.00 0.00 89 K 8.37 4.98 0.00 1.97 1.70 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.39 7.81 90 F 8.72 4.66 0.00 3.33 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.01 4.06 0.00 1.97 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 2.31 2.26 0.00 92 D 7.72 4.71 0.00 2.68 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 93 N 8.86 5.16 0.00 2.60 2.71 0.00 0.00 6.49 7.85 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 94 A 9.08 5.29 1.15 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 0.00 0.00 95 A 9.34 4.94 1.15 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 0.00 0.00 96 V 8.21 4.53 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 0.99 0.00 0.00 0.91 0.00 0.00 97 I 8.38 4.18 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.91 0.00 0.00 98 V 8.82 4.89 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 0.69 0.00 0.00 0.82 0.00 0.00 99 D 8.12 4.90 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.93 3.93 0.00 1.98 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 2.32 2.35 0.00 101 N 9.12 4.71 0.00 2.99 2.80 0.00 0.00 7.05 7.53 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 0.00 102 E 8.05 3.70 0.00 2.23 2.18 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 2.30 2.33 0.00 103 D 7.99 4.99 0.00 3.01 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 0.00 104 P 0.00 4.58 0.00 2.19 2.20 0.00 3.70 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 2.08 2.09 0.00 105 R 8.69 3.95 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.12 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 0.00 107 T 8.40 4.40 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 0.00 108 E 9.46 4.73 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 2.21 2.27 0.00 109 L 8.53 4.86 0.00 1.52 1.59 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.45 4.19 0.00 1.66 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.38 7.81 111 G 8.91 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 0.00 112 P 0.00 4.87 0.00 2.29 2.20 0.00 3.83 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 2.16 2.14 0.00 113 I 8.16 4.62 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 1.11 0.40 0.91 0.00 0.00 114 A 8.08 4.98 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 0.00 115 R 8.81 3.95 0.00 2.11 2.37 0.00 2.81 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 116 E 8.32 4.00 0.00 2.12 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 2.44 2.62 0.00 117 V 7.83 3.66 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 1.29 0.00 0.00 0.98 0.00 0.00 118 A 7.94 4.01 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 0.00 119 Q 7.36 3.94 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 120 R 7.03 4.23 0.00 1.41 0.66 0.00 3.01 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.39 0.00 121 F 7.82 4.72 0.00 3.12 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 0.00 122 G 8.59 3.55 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 0.00 0.00 0.00 123 S 8.14 4.23 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.77 3.56 2.42 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 1.03 0.00 0.00 0.96 0.00 0.00 125 A 8.00 4.12 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 0.00 126 S 8.89 4.67 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 0.00 127 A 7.62 4.60 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 0.00 128 A 8.29 4.21 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 0.00 129 T 8.64 4.09 4.25 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 1.22 0.00 0.00 130 M 7.82 4.84 0.00 1.96 1.95 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 2.58 2.54 0.00 131 I 8.26 4.69 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.95 0.00 0.00 132 V 8.66 3.89 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 0.84 0.00 0.00 1.01 0.00 0.00