NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3778 8.2931 120.3242 55.4554 34.2610 176.1880 2 G 3.6540 7.6396 107.0678 43.6512 0.0000 170.3208 3 P 4.3545 0.0000 0.0000 62.4526 32.7301 175.4399 4 V 3.8726 7.8879 113.1137 60.2555 32.4125 175.3666 5 P 4.3979 0.0000 0.0000 61.6976 33.1879 176.0657 6 P 4.1018 0.0000 0.0000 66.2064 31.2851 178.8307 7 S 3.1136 7.2527 113.8654 60.9397 62.8172 176.4724 8 T 3.8675 7.6918 118.6406 66.1708 68.2751 176.3992 9 A 4.0227 8.1673 122.9336 54.9801 18.3683 179.4488 10 L 4.0225 8.1314 118.7374 58.4956 42.2846 179.3797 11 R 3.8266 7.8705 117.6276 59.4051 29.9954 178.8962 12 E 4.0519 8.3607 118.3328 59.2153 29.4070 179.3342 13 L 3.9791 8.1132 120.3894 58.1814 42.1894 178.9965 14 I 3.6804 8.3391 120.0263 64.5671 37.0730 178.2525 15 E 3.9283 8.5984 119.7207 59.3530 29.3568 179.1959 16 E 3.9246 8.2149 119.3048 59.1783 29.5384 178.7566 17 L 3.9952 8.1455 118.2403 57.7742 41.9910 179.3850 18 V 4.0211 7.9080 119.4996 65.4740 31.6575 177.2184 19 N 4.2519 8.0765 117.0466 56.9330 38.5682 176.4879 20 I 4.0370 7.6090 111.5554 62.7722 38.2978 176.9349 21 T 4.9119 7.8329 112.2385 61.8280 69.2353 176.4791 22 Q 4.1220 7.5563 119.5679 58.0697 29.1176 176.1879 23 N 4.7754 7.7731 114.2155 52.8260 39.1644 174.5389 24 Q 4.1765 7.7659 118.4796 55.4830 29.0132 175.0659 25 K 4.0913 7.9619 125.0124 57.7386 32.7515 177.6005 26 A 4.3808 7.6057 123.3829 50.3335 20.1256 175.4626 27 P 4.4112 0.0000 0.0000 62.7454 31.9852 177.2162 28 L 4.0654 8.6385 121.8554 58.1192 41.6646 178.7955 29 C 4.6667 7.7417 113.3472 55.6292 40.4475 174.0860 30 N 4.5061 8.3578 117.9939 53.4369 36.3988 176.4167 31 G 3.8167 7.9862 100.4584 46.4157 0.0000 173.4265 32 S 4.3285 7.3291 113.1465 58.7532 63.8994 173.4338 33 M 4.9737 8.4303 121.0819 53.7352 35.2982 175.2369 34 V 4.5186 8.5634 113.4158 59.0247 36.4204 175.0701 35 W 4.6274 8.7970 122.6279 56.5175 29.5112 176.7269 36 S 4.7050 8.5368 119.4617 58.4645 63.4208 173.2442 37 I 4.7285 8.1504 113.7979 59.1514 40.7576 174.0212 38 N 4.5535 8.5008 118.0116 52.0065 38.9127 175.4389 39 L 4.2226 8.2983 124.4895 54.1200 42.6261 175.8840 40 T 4.5389 8.7281 112.8899 61.9217 68.3554 173.8107 41 A 4.5905 8.9498 121.7082 53.5831 22.1767 182.0448 42 G 4.2194 7.7155 102.0827 44.3990 0.0000 175.7442 43 M 4.0337 9.2813 123.7483 58.2776 32.0496 177.6875 44 Y 4.1219 8.0403 116.2407 61.3408 38.1125 179.5016 45 C 4.3835 8.4036 116.4457 60.0818 35.7242 175.7809 46 A 4.2205 8.5491 122.5463 55.2962 17.9656 179.5428 47 A 4.2496 9.0455 120.4910 55.1083 18.3893 179.5421 48 L 3.9212 8.3385 119.4940 58.4347 42.0506 178.9849 49 E 4.0339 8.0105 116.0898 59.7826 29.6688 179.0036 50 S 4.3560 8.0066 116.0588 61.4686 62.8096 176.6379 51 L 3.9283 7.8678 121.7248 57.5682 41.1433 179.3006 52 I 3.4182 7.8300 118.9701 63.9425 37.0902 177.3176 53 N 4.7544 7.8384 115.5694 53.4415 38.7445 175.0402 54 V 4.0919 7.9323 121.8537 61.6286 32.2742 175.2269 55 S 4.6687 8.6592 122.5713 58.0785 66.1217 174.3566 56 G 3.9055 9.2012 111.5365 45.4041 0.0000 174.3503 57 C 4.7444 7.7037 117.7807 55.0940 37.8200 174.1802 58 S 3.9772 8.4170 119.9353 60.7987 61.9442 175.0994 59 A 4.2383 8.1402 122.7577 54.2726 18.2489 178.2639 60 I 4.4047 7.1860 109.8285 59.9526 38.1491 177.3377 61 E 3.9404 8.4474 122.2970 59.9144 29.4058 179.2074 62 K 3.9926 8.0688 117.7743 59.7697 32.2381 179.2426 63 T 3.9515 7.8729 115.4915 66.8778 68.4211 176.3432 64 Q 4.1860 8.1638 119.8337 58.9641 28.6116 179.2250 65 R 3.9356 7.7111 119.0434 59.6678 29.9656 178.9978 66 M 4.1689 7.9731 116.9394 58.4723 32.2347 178.5082 67 L 4.5644 8.3987 119.2840 58.1149 41.7363 179.6617 68 S 4.3901 8.3320 115.2759 61.6228 62.5207 176.7568 69 G 3.2514 7.6537 107.2864 47.4576 0.0000 174.6206 70 F 4.5543 8.0536 116.8592 56.7838 40.3946 175.5731 71 C 4.9162 8.8127 119.8162 53.6534 43.7044 172.2351 72 P 3.9772 0.0000 0.0000 64.0470 31.3998 176.2097 73 H 4.6768 7.5123 114.3840 53.9634 29.1251 175.6000 74 K 4.2100 8.4303 123.9726 55.8985 32.7748 176.4728 75 V 4.3187 7.9562 119.9021 61.1041 34.4379 175.4013 76 S 4.5429 8.1584 120.7857 56.5458 64.7379 174.6023 77 A 4.2025 8.4697 122.3605 53.5291 18.0607 178.2669 78 G 3.8674 7.4948 104.3137 45.7399 0.0000 174.2552 79 Q 4.2357 7.2058 119.1146 54.3852 29.7003 175.1726 80 F 5.0963 8.3839 120.3755 55.9794 42.9775 174.0696 81 S 4.5823 9.9716 117.9671 60.2797 64.9149 175.6233 82 S 4.3739 9.2362 112.7182 58.4850 62.4642 174.0933 83 L 4.4817 7.4552 118.5070 56.1582 41.5424 177.6789 84 H 4.4205 7.6146 118.8158 58.4339 28.9910 177.0635 85 V 3.9072 7.4380 111.0337 61.2309 32.5905 176.8687 86 R 4.3849 8.1174 122.9940 55.2311 28.4938 175.4698 87 D 4.8046 7.7865 120.0123 53.7799 42.5099 176.2323 88 T 4.4610 8.0644 110.0021 60.7692 70.9352 174.4108 89 K 4.3219 8.0712 122.2083 56.0131 33.3518 176.0950 90 I 4.7264 8.6791 115.6391 58.6944 41.6292 174.7732 91 E 4.3024 8.6223 122.2802 56.2268 30.2306 178.4174 92 V 3.6097 8.2859 122.3892 66.2192 31.5265 178.1653 93 A 4.0326 8.1677 119.8940 55.7541 18.0759 179.5389 94 Q 4.0000 8.0553 115.6803 58.7159 28.9005 178.2909 95 F 3.9187 8.2055 121.8652 61.2192 39.4069 177.3517 96 V 3.6752 8.3974 118.1369 65.9774 31.2509 178.0437 97 K 3.9103 7.8306 117.6351 59.7074 31.9886 178.9818 98 D 4.2977 8.4906 119.3459 57.3358 40.6143 178.7715 99 L 3.7367 7.7392 120.7810 57.7481 41.8904 178.4879 100 L 3.8673 8.0825 120.7993 58.3021 41.8041 178.9728 101 L 3.9368 7.6036 118.5580 58.3379 41.4576 179.3885 102 H 4.0979 7.7797 115.2916 58.4794 28.3337 177.7466 103 L 3.9545 7.8859 120.6248 57.8308 41.6223 179.6456 104 K 4.2011 7.9197 118.0389 59.2328 32.3238 179.0539 105 K 3.9535 7.6578 121.6824 59.6900 32.0682 178.7815 106 L 3.9713 7.8020 118.7902 57.3711 41.4324 179.2081 107 F 4.2466 7.9526 120.9095 61.3988 39.0703 177.2682 108 R 3.8659 7.6898 116.8376 59.0455 30.3384 178.0966 109 E 4.1949 7.9214 116.2260 55.6486 29.5157 177.6031 110 G 3.3593 7.0748 106.2246 45.8877 0.0000 174.5646 111 R 4.0433 6.9022 118.7539 54.5466 28.9112 175.1077 112 F 4.5444 8.0238 121.0771 57.2007 40.2655 176.1376 113 N 4.6987 9.0419 121.5400 53.9677 38.3872 174.0686 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 4.38 0.00 1.99 2.13 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 2.49 2.60 0.00 2 G 7.64 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.35 0.00 2.00 1.95 0.00 3.91 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 4 V 7.89 3.87 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 0.67 0.00 0.00 0.88 0.00 0.00 5 P 0.00 4.40 0.00 2.06 1.93 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 6 P 0.00 4.10 0.00 1.91 2.28 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 7 S 7.25 3.11 0.00 4.11 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.69 3.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 A 8.17 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 10 L 8.13 4.02 0.00 1.99 1.98 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.87 3.83 0.00 1.89 1.86 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.80 0.00 12 E 8.36 4.05 0.00 2.19 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 2.51 0.00 13 L 8.11 3.98 0.00 1.97 1.93 1.02 1.10 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 14 I 8.34 3.68 1.83 0.00 0.00 0.84 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 0.59 0.88 0.00 0.00 15 E 8.60 3.93 0.00 2.00 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 2.46 0.00 16 E 8.21 3.92 0.00 2.13 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 2.33 2.36 0.00 17 L 8.15 4.00 0.00 1.62 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.91 4.02 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 1.44 0.00 0.00 0.98 0.00 0.00 19 N 8.08 4.25 0.00 3.02 2.89 0.00 0.00 7.06 7.98 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 20 I 7.61 4.04 1.88 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 1.88 0.81 0.92 0.00 0.00 21 T 7.83 4.91 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 1.27 0.00 0.00 22 Q 7.56 4.12 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 23 N 7.77 4.78 0.00 2.71 2.83 0.00 0.00 6.92 7.84 0.00 0.00 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 Q 7.77 4.18 0.00 2.24 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 25 K 7.96 4.09 0.00 1.73 1.69 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 26 A 7.61 4.38 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 27 P 0.00 4.41 0.00 2.27 2.01 0.00 3.69 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 2.02 2.11 0.00 28 L 8.64 4.07 0.00 1.64 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.74 4.67 0.00 2.94 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 30 N 8.36 4.51 0.00 2.82 2.79 0.00 0.00 6.72 8.67 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 31 G 7.99 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 32 S 7.33 4.33 0.00 3.73 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.43 4.97 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 34 V 8.56 4.52 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.78 0.00 0.00 35 W 8.80 4.63 0.00 3.14 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 36 S 8.54 4.71 0.00 3.95 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 37 I 8.15 4.73 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.73 1.11 0.00 0.00 38 N 8.50 4.55 0.00 2.73 2.79 0.00 0.00 6.92 7.86 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 39 L 8.30 4.22 0.00 1.22 0.80 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.73 4.54 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 1.20 0.00 0.00 41 A 8.95 4.59 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 42 G 7.72 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 0.00 0.00 0.00 0.00 43 M 9.28 4.03 0.00 1.65 1.83 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 2.75 2.53 0.00 44 Y 8.04 4.12 0.00 3.20 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 45 C 8.40 4.38 0.00 3.11 3.38 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 46 A 8.55 4.22 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 47 A 9.05 4.25 1.53 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 48 L 8.34 3.92 0.00 1.96 1.90 0.97 0.86 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 49 E 8.01 4.03 0.00 2.40 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 0.00 2.63 2.53 0.00 50 S 8.01 4.36 0.00 3.90 3.93 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 51 L 7.87 3.93 0.00 1.83 1.67 0.98 0.59 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 52 I 7.83 3.42 2.15 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 1.78 0.87 1.00 0.00 0.00 53 N 7.84 4.75 0.00 2.95 3.00 0.00 0.00 7.00 7.40 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 54 V 7.93 4.09 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 0.74 0.00 0.00 0.86 0.00 0.00 55 S 8.66 4.67 0.00 3.86 3.71 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 56 G 9.20 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 57 C 7.70 4.74 0.00 2.97 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 58 S 8.42 3.98 0.00 3.89 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 59 A 8.14 4.24 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 60 I 7.19 4.40 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.17 0.93 0.00 0.00 61 E 8.45 3.94 0.00 2.21 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 2.34 2.37 0.00 62 K 8.07 3.99 0.00 1.82 1.89 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.55 7.81 63 T 7.87 3.95 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 1.29 0.00 0.00 64 Q 8.16 4.19 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 65 R 7.71 3.94 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 66 M 7.97 4.17 0.00 2.18 2.26 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 2.84 2.65 0.00 67 L 8.40 4.56 0.00 1.99 1.95 1.04 1.09 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 68 S 8.33 4.39 0.00 4.10 3.93 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 69 G 7.65 3.25 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 0.00 70 F 8.05 4.55 0.00 2.67 2.33 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 71 C 8.81 4.92 0.00 3.01 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 72 P 0.00 3.98 0.00 2.10 2.09 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 73 H 7.51 4.68 0.00 3.38 3.35 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.43 4.21 0.00 1.76 1.76 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 75 V 7.96 4.32 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 0.78 0.00 0.00 0.95 0.00 0.00 76 S 8.16 4.54 0.00 3.95 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 77 A 8.47 4.20 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 78 G 7.49 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 0.00 0.00 0.00 79 Q 7.21 4.24 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 80 F 8.38 5.10 0.00 3.04 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 81 S 9.97 4.58 0.00 3.96 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 82 S 9.24 4.37 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.46 4.48 0.00 1.29 0.87 0.84 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.61 4.42 0.00 3.10 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.44 3.91 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 0.66 0.00 0.00 0.94 0.00 0.00 86 R 8.12 4.38 0.00 1.84 1.98 0.00 3.23 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 87 D 7.79 4.80 0.00 2.86 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 88 T 8.06 4.46 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 1.20 0.00 0.00 89 K 8.07 4.32 0.00 1.30 1.44 0.00 1.16 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.28 7.81 90 I 8.68 4.73 1.90 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 1.45 1.42 0.92 0.00 0.00 91 E 8.62 4.30 0.00 2.06 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 2.37 2.28 0.00 92 V 8.29 3.61 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 1.06 0.00 0.00 0.91 0.00 0.00 93 A 8.17 4.03 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 94 Q 8.06 4.00 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 95 F 8.21 3.92 0.00 3.16 3.23 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 96 V 8.40 3.68 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 1.17 0.00 0.00 1.10 0.00 0.00 97 K 7.83 3.91 0.00 1.95 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 98 D 8.49 4.30 0.00 2.58 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 99 L 7.74 3.74 0.00 1.24 1.64 0.60 0.36 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 0.00 100 L 8.08 3.87 0.00 1.73 1.82 0.90 0.49 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 0.00 101 L 7.60 3.94 0.00 1.73 1.60 0.88 1.36 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 0.00 102 H 7.78 4.10 0.00 3.31 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.89 3.95 0.00 1.72 1.73 0.87 0.91 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 0.00 104 K 7.92 4.20 0.00 1.96 2.06 0.00 1.32 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.45 7.81 105 K 7.66 3.95 0.00 1.94 1.99 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 106 L 7.80 3.97 0.00 1.72 1.76 0.92 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 F 7.95 4.25 0.00 3.27 3.37 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 0.00 108 R 7.69 3.87 0.00 1.88 1.96 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 109 E 7.92 4.19 0.00 1.80 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 2.23 2.24 0.00 110 G 7.07 3.36 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 0.00 0.00 0.00 0.00 111 R 6.90 4.04 0.00 1.68 1.81 0.00 3.09 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 112 F 8.02 4.54 0.00 3.20 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 0.00 113 N 9.04 4.70 0.00 3.03 2.90 0.00 0.00 6.96 7.77 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