NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1079 8.1727 122.0339 56.2430 34.1041 173.9953 2 Q 4.6895 8.3611 127.9443 54.0075 30.1210 174.2525 3 F 4.8921 8.7408 126.3583 57.3260 40.8291 175.2710 4 T 4.4461 8.9375 111.3871 60.6466 70.6861 175.7843 5 K 3.3944 8.7478 122.8584 60.1009 32.1819 179.6008 6 C 4.3070 8.0599 116.0028 59.7309 37.9698 175.7165 7 E 3.9023 8.2298 120.3655 59.5188 29.1110 179.4571 8 L 3.5973 7.7394 118.8734 57.5511 41.4538 179.5432 9 S 4.0911 8.0164 115.2315 61.8272 62.5252 176.9013 10 Q 4.0590 7.6982 119.3993 58.9424 28.5245 178.4697 11 L 4.1005 7.5796 119.1088 56.9739 41.8649 178.4775 12 L 4.4492 8.1281 117.3858 54.0582 41.7359 178.2066 13 K 3.7968 7.5115 119.3511 60.2195 32.3247 178.5160 14 D 4.5328 7.9493 116.8378 55.5191 41.1884 176.7647 15 I 4.0885 7.8398 112.5882 60.7748 38.2265 175.2095 16 D 4.4389 7.5537 122.2134 56.2409 41.3304 176.4797 17 G 3.9714 9.1502 115.4558 45.1217 0.0000 172.5367 18 Y 3.9682 8.3153 122.6057 58.8111 39.0775 176.3945 19 G 3.5497 8.8425 113.8242 46.1505 0.0000 173.8788 20 G 3.8426 8.4343 106.0405 45.6817 0.0000 173.5836 21 I 4.3182 7.6079 120.7484 59.2243 38.8751 175.4063 22 A 4.6533 8.3260 126.9183 51.2305 20.4450 177.6558 23 L 3.8420 9.1056 125.7683 58.0989 42.0759 178.2274 24 P 4.3037 0.0000 0.0000 65.9219 31.1262 177.8686 25 E 3.7714 8.0920 118.5884 58.9170 29.5291 178.4214 26 L 3.7636 7.7925 120.3158 58.0180 42.0694 179.0264 27 I 3.5960 7.8713 120.0494 64.2645 37.0199 177.2818 28 C 2.4500 7.6341 119.4123 59.4767 37.3542 175.8535 29 T 3.6221 7.4917 116.8455 66.9537 67.9097 176.5693 30 M 3.8768 8.0198 120.7376 57.9908 31.9720 178.5305 31 F 3.5263 8.2550 120.9645 61.6357 39.3288 176.9781 32 H 3.9406 7.9228 114.4277 58.3136 28.4646 177.0284 33 T 4.3396 7.3674 109.9251 62.5573 69.8735 175.5930 34 S 4.4658 8.1141 113.6682 56.3974 64.3576 174.7873 35 G 3.5163 8.1743 108.1490 46.6336 0.0000 173.4325 36 Y 3.8310 7.6550 114.5844 58.6196 35.7701 168.1421 37 D 5.3971 7.7576 120.1588 52.5151 42.8767 177.0833 38 T 4.0749 8.8958 117.7712 63.8723 69.7305 175.3236 39 Q 4.6279 8.5010 121.9369 55.6300 29.9104 175.3795 40 A 4.2419 7.9191 121.2288 52.6002 19.6076 177.1146 41 I 4.9415 8.2949 121.9700 59.5060 40.8079 174.8450 42 V 4.2687 8.5610 127.3957 61.1487 33.6286 173.9114 43 E 4.7055 8.7588 127.7305 55.0719 30.9231 175.5482 44 N 4.9670 8.6533 122.8997 51.2288 41.5472 174.2986 45 D 4.5397 8.8352 117.9577 57.7299 40.6821 177.8165 46 E 4.6692 7.8367 113.1946 55.5772 31.0332 175.1047 47 S 4.6490 7.3566 112.6377 57.8895 65.7217 173.3687 48 T 4.9829 8.1027 116.0556 61.7759 72.7401 172.8184 49 E 5.2159 8.7949 124.0740 54.7556 32.9013 174.5894 50 Y 5.1420 8.9833 120.9108 57.5393 41.8387 177.2059 51 G 4.5457 9.3967 111.9777 44.9503 0.0000 173.2424 52 L 3.9882 8.7268 119.2029 57.9510 41.8966 178.4142 53 F 4.6793 8.2262 113.3670 56.5095 39.6755 175.3772 54 Q 3.5558 7.9735 119.0627 57.0400 26.7306 174.2655 55 I 4.1277 7.8916 118.5907 60.9380 39.0350 177.0924 56 S 5.3534 9.0636 122.6128 57.6716 63.7209 174.3594 57 N 4.9857 9.3936 123.4335 54.6639 37.5826 177.3302 58 K 4.0438 8.4195 119.7881 58.8872 32.5037 177.6536 59 L 4.3789 7.6657 115.0172 54.5270 44.3788 177.4435 60 W 4.7301 8.2956 117.7375 57.5774 30.9970 173.8516 61 C 5.6269 8.1849 111.7386 53.7116 45.9964 173.3471 62 K 4.5278 8.8445 121.6717 55.6867 32.9030 175.4228 63 S 5.0062 8.4313 120.7098 56.5688 65.8231 174.7899 64 S 4.2375 8.8634 118.9033 60.6901 63.2515 175.3744 65 Q 4.1202 8.1390 122.4550 58.3762 29.2251 176.1867 66 V 4.4213 7.4437 117.5073 59.4041 31.2877 173.4360 67 P 4.2667 0.0000 0.0000 65.3358 31.4224 178.1849 68 Q 4.2908 7.9079 114.8046 55.6332 28.9153 175.7753 69 S 4.1726 7.7185 113.8457 58.2636 62.8099 174.6380 70 R 3.8050 8.5687 125.7005 57.5078 30.6956 176.1078 71 N 4.1593 8.0212 115.3705 54.3133 37.6536 175.0900 72 I 3.6782 7.9243 120.4246 64.8785 37.7020 177.4290 73 C 4.5084 8.5691 114.7574 56.7762 40.8371 172.6357 74 D 4.3181 7.9512 118.6932 54.2371 39.4751 172.5332 75 I 4.3638 7.9339 117.9908 59.7457 42.0264 173.2455 76 S 4.5157 8.2326 120.2686 58.0643 63.0816 175.9807 77 C 4.0098 8.7321 124.8312 59.4333 38.0693 176.0656 78 D 4.0058 7.7708 120.4756 56.0299 38.6419 178.3764 79 K 4.0535 7.4614 118.9254 58.3828 32.1036 177.4014 80 F 5.4359 7.5874 117.0244 56.8843 38.8909 176.4819 81 L 5.0887 8.0776 119.2516 54.3428 42.2302 175.6180 82 D 4.9503 7.9417 118.9151 51.8738 41.6854 175.5278 83 D 4.5661 8.5395 116.8543 54.5419 41.0180 175.9513 84 D 4.8192 8.0124 120.2067 52.8806 41.5399 175.8602 85 I 4.7768 8.2290 121.8673 60.8115 37.9533 177.4502 86 T 3.8798 8.1866 119.9582 67.3002 68.3327 176.3080 87 D 4.4917 8.1635 120.5161 56.3551 39.3856 177.9968 88 D 4.2481 8.3576 119.9681 57.4129 40.8466 178.6904 89 I 3.2535 8.1001 120.4965 64.2377 36.6764 177.9035 90 M 3.8390 7.9321 119.1236 59.0606 31.9986 177.5782 91 C 4.2338 8.1818 118.0900 59.4045 43.5122 175.1922 92 A 3.5117 7.8528 122.8411 54.9391 17.7394 179.7336 93 K 3.6007 7.8706 117.0738 59.3398 32.0055 179.6596 94 K 4.0232 7.6112 118.2944 59.5248 32.0085 179.3770 95 I 2.9809 7.3427 119.9189 64.1619 36.6635 178.4730 96 L 4.2149 8.1549 120.0186 57.9869 41.2088 179.4034 97 D 4.4065 8.2578 118.1041 56.8478 40.8111 178.1255 98 I 4.2131 7.6538 118.7567 63.1116 38.0508 177.5014 99 K 4.4986 8.5047 116.7889 56.0377 34.0274 177.7703 100 G 4.0320 8.2534 108.0291 45.6628 0.0000 173.4716 101 I 4.2291 8.2885 116.6805 64.0228 37.8154 177.6746 102 D 4.6041 8.1453 118.5870 55.9718 40.4211 177.1645 103 Y 3.8738 7.5699 120.2941 60.4762 38.6375 177.9068 104 W 4.2461 8.0501 117.4618 59.1791 30.0145 177.9330 105 L 4.3402 8.1983 117.0090 53.6684 41.6671 176.5930 106 A 3.9199 8.5945 120.7349 53.6954 16.4649 176.8927 107 H 4.1026 8.3536 112.1629 57.9681 27.4569 175.7514 108 K 4.4282 7.8787 118.3371 55.2575 33.3673 176.9431 109 A 4.3901 8.3648 122.1777 52.3897 18.3001 178.0082 110 L 4.0260 7.1866 116.9069 57.2800 42.1620 176.3249 111 C 4.2444 8.7546 116.6855 58.9065 37.4974 174.0441 112 T 4.3126 8.1249 108.0323 61.1972 70.6058 173.6234 113 E 4.7397 7.9010 120.0365 55.1177 33.2336 175.0482 114 K 4.1357 8.5560 116.9276 56.2024 29.9819 177.1825 115 L 4.4684 7.8784 118.7355 57.3899 41.6785 178.5319 116 E 4.1119 8.2755 117.5615 58.8568 29.2319 178.7322 117 Q 3.8089 7.8081 118.0457 58.1576 28.5483 177.4482 118 W 4.6452 7.7079 118.9147 55.8606 29.7408 176.3410 119 L 4.3125 7.0387 119.2236 54.1765 41.9734 175.5339 120 C 4.5092 8.5774 121.7041 56.0228 44.0766 173.1397 121 E 4.4109 8.6673 123.8588 55.9089 30.0245 176.6177 122 K 4.1720 7.8897 118.6501 58.1880 33.5379 176.7585 123 L 4.3108 7.7765 123.6012 54.7497 42.0288 175.9663 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 K 8.17 4.11 0.00 1.63 1.38 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.94 7.81 2 Q 8.36 4.69 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 3 F 8.74 4.89 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.94 4.45 4.27 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 1.26 0.00 0.00 5 K 8.75 3.39 0.00 1.88 1.84 0.00 1.91 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.58 7.81 6 C 8.06 4.31 0.00 2.98 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 7 E 8.23 3.90 0.00 2.25 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 2.38 2.39 0.00 8 L 7.74 3.60 0.00 1.56 1.39 0.53 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.02 4.09 0.00 3.93 3.88 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 10 Q 7.70 4.06 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 11 L 7.58 4.10 0.00 1.52 1.57 0.49 1.02 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 12 L 8.13 4.45 0.00 1.60 1.62 0.81 1.03 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 13 K 7.51 3.80 0.00 1.96 2.21 0.00 1.29 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 14 D 7.95 4.53 0.00 2.68 2.76 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 15 I 7.84 4.09 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.13 0.75 0.00 0.00 16 D 7.55 4.44 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 17 G 9.15 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 18 Y 8.32 3.97 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.84 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 20 G 8.43 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 0.00 0.00 0.00 21 I 7.61 4.32 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.08 0.90 0.00 0.00 22 A 8.33 4.65 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 23 L 9.11 3.84 0.00 1.72 1.71 0.88 0.81 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 24 P 0.00 4.30 0.00 2.49 2.49 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 25 E 8.09 3.77 0.00 2.04 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 2.32 2.31 0.00 26 L 7.79 3.76 0.00 1.74 1.67 0.59 1.00 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 27 I 7.87 3.60 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 1.03 0.00 0.00 28 C 7.63 2.45 0.00 1.23 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 29 T 7.49 3.62 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 0.88 0.00 0.00 30 M 8.02 3.88 0.00 1.98 2.32 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 31 F 8.26 3.53 0.00 2.88 2.91 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 32 H 7.92 3.94 0.00 3.23 3.29 0.00 5.69 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 33 T 7.37 4.34 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 1.33 0.00 0.00 34 S 8.11 4.47 0.00 3.95 4.13 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 0.00 0.00 0.00 35 G 8.17 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.66 3.83 0.00 3.28 3.14 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 0.00 0.00 0.00 37 D 7.76 5.40 0.00 2.63 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 38 T 8.90 4.07 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 39 Q 8.50 4.63 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 40 A 7.92 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 41 I 8.29 4.94 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.87 0.00 0.00 42 V 8.56 4.27 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 1.01 0.00 0.00 0.95 0.00 0.00 43 E 8.76 4.71 0.00 1.86 1.84 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 2.21 2.27 0.00 44 N 8.65 4.97 0.00 2.77 2.74 0.00 0.00 7.08 7.67 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 45 D 8.84 4.54 0.00 2.65 2.74 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 46 E 7.84 4.67 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 47 S 7.36 4.65 0.00 4.00 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 48 T 8.10 4.98 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 0.64 0.00 0.00 49 E 8.79 5.22 0.00 1.90 1.87 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 2.29 2.23 0.00 50 Y 8.98 5.14 0.00 3.13 2.99 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 51 G 9.40 4.55 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 52 L 8.73 3.99 0.00 1.65 1.66 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.23 4.68 0.00 3.01 3.20 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 54 Q 7.97 3.56 0.00 2.47 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 55 I 7.89 4.13 1.67 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.70 0.94 0.00 0.00 56 S 9.06 5.35 0.00 4.18 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 57 N 9.39 4.99 0.00 3.04 3.45 0.00 0.00 6.85 6.62 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 58 K 8.42 4.04 0.00 1.85 1.94 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.46 7.81 59 L 7.67 4.38 0.00 1.39 0.38 0.65 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 60 W 8.30 4.73 0.00 3.64 3.28 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 61 C 8.18 5.63 0.00 3.07 3.32 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 62 K 8.84 4.53 0.00 1.84 1.67 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 63 S 8.43 5.01 0.00 3.92 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 64 S 8.86 4.24 0.00 4.03 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 65 Q 8.14 4.12 0.00 2.13 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.17 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 66 V 7.44 4.42 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 1.01 0.00 0.00 0.98 0.00 0.00 67 P 0.00 4.27 0.00 2.21 2.19 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 68 Q 7.91 4.29 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 69 S 7.72 4.17 0.00 4.06 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 70 R 8.57 3.80 0.00 1.64 1.85 0.00 3.51 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 71 N 8.02 4.16 0.00 2.96 2.76 0.00 0.00 7.06 7.26 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 72 I 7.92 3.68 1.60 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.34 1.01 0.00 0.00 73 C 8.57 4.51 0.00 3.41 3.32 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 74 D 7.95 4.32 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.93 4.36 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.07 0.82 0.00 0.00 76 S 8.23 4.52 0.00 3.80 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.73 4.01 0.00 2.47 2.17 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 78 D 7.77 4.01 0.00 2.78 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 79 K 7.46 4.05 0.00 1.35 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.36 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.46 7.81 80 F 7.59 5.44 0.00 3.27 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 81 L 8.08 5.09 0.00 1.78 1.70 1.04 1.25 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 82 D 7.94 4.95 0.00 2.77 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 83 D 8.54 4.57 0.00 2.70 2.74 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 84 D 8.01 4.82 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 4.78 2.04 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 1.16 0.00 0.00 86 T 8.19 3.88 4.32 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 1.23 0.00 0.00 87 D 8.16 4.49 0.00 3.08 2.99 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 88 D 8.36 4.25 0.00 3.17 2.99 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 89 I 8.10 3.25 1.95 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 1.47 0.90 0.74 0.00 0.00 90 M 7.93 3.84 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 91 C 8.18 4.23 0.00 3.19 2.95 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 92 A 7.85 3.51 0.34 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 93 K 7.87 3.60 0.00 1.69 1.43 0.00 1.34 0.00 0.00 1.08 0.00 0.00 2.32 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.11 7.81 94 K 7.61 4.02 0.00 1.98 2.02 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.68 7.81 95 I 7.34 2.98 1.25 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.48 0.00 0.00 96 L 8.15 4.21 0.00 2.03 1.94 1.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.26 4.41 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.65 4.21 2.17 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.70 1.06 0.00 0.00 99 K 8.50 4.50 0.00 1.72 1.93 0.00 1.97 0.00 0.00 1.84 0.00 0.00 3.25 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.66 1.91 7.81 100 G 8.25 4.03 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 0.00 0.00 0.00 101 I 8.29 4.23 1.99 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 1.75 1.54 0.97 0.00 0.00 102 D 8.15 4.60 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.57 3.87 0.00 2.55 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 0.00 0.00 0.00 0.00 104 W 8.05 4.25 0.00 3.59 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 0.00 105 L 8.20 4.34 0.00 1.75 1.70 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.59 3.92 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 0.00 107 H 8.35 4.10 0.00 3.34 3.41 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.88 4.43 0.00 1.94 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.53 7.81 109 A 8.36 4.39 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 0.00 110 L 7.19 4.03 0.00 1.67 1.45 0.83 0.83 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 0.00 111 C 8.75 4.24 0.00 3.03 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 0.00 112 T 8.12 4.31 4.27 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 1.33 0.00 0.00 113 E 7.90 4.74 0.00 1.99 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 2.24 2.33 0.00 114 K 8.56 4.14 0.00 1.95 1.80 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.41 7.81 115 L 7.88 4.47 0.00 1.77 1.85 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.28 4.11 0.00 2.15 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 0.00 2.31 2.29 0.00 117 Q 7.81 3.81 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 118 W 7.71 4.65 0.00 3.42 3.28 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 0.00 119 L 7.04 4.31 0.00 1.75 1.59 0.93 0.67 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 0.00 120 C 8.58 4.51 0.00 2.90 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 0.00 121 E 8.67 4.41 0.00 2.06 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 2.15 2.17 0.00 122 K 7.89 4.17 0.00 1.87 1.96 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.44 7.81 123 L 7.78 4.31 0.00 1.61 1.56 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00