NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.7766 8.4449 117.3703 54.1603 30.5580 173.0187 7 R 4.7329 7.4877 114.7824 53.9747 34.3826 174.1465 8 L 4.7349 8.3113 122.7027 53.2985 42.0996 175.2489 9 S 3.8639 8.6734 119.0570 55.1007 66.1511 175.6944 10 A 4.0190 8.8095 120.9636 55.2978 18.0781 178.9291 11 E 3.8237 8.2156 117.2754 59.8015 28.9359 178.2206 12 E 3.8687 8.4993 118.4617 59.9325 29.6162 179.6008 13 R 3.9922 7.6661 115.8652 59.6024 30.0803 178.3602 14 D 4.4143 7.9737 118.4917 58.2908 41.1797 179.1016 15 Q 4.1302 8.3834 119.8060 60.5844 28.3816 179.2068 16 L 4.1396 9.0581 121.7171 57.9591 42.3484 178.3225 17 L 4.0523 8.8044 120.6380 58.1065 42.1252 176.5338 18 P 4.1020 0.0000 0.0000 66.7977 30.2104 177.4684 19 N 4.2926 8.1687 115.0747 55.5902 38.6294 177.2781 20 L 4.0623 7.8815 119.5328 58.0174 41.6091 179.1286 21 R 4.2796 8.0369 118.2023 59.4063 30.0576 177.2242 22 A 4.0260 8.2555 120.3303 55.1433 17.9492 179.1387 23 V 3.7274 7.5575 106.5900 62.0719 31.7510 177.0410 24 G 3.7888 8.0734 109.6588 45.2986 0.0000 175.1969 25 W 4.3866 8.2678 121.2857 57.0559 30.1656 175.1601 26 N 5.2190 9.2014 120.8155 51.4821 42.5080 173.2995 27 E 4.9177 8.9320 122.4237 55.7426 30.2992 176.4106 28 L 4.4620 8.7467 125.8571 54.7525 42.2551 176.1126 29 E 4.2267 8.5881 121.4206 55.6874 31.8559 172.2256 30 G 3.8836 9.1020 115.0271 44.9913 0.0000 175.6094 31 R 4.2450 8.7924 120.1112 54.5251 32.4951 174.1661 32 D 4.5261 8.3623 119.4997 54.0451 40.7019 174.4414 33 A 4.7751 7.9499 125.3406 51.0373 22.2374 175.7229 34 I 4.7648 8.0077 114.9182 60.8851 40.0813 174.1893 35 F 5.2889 9.6943 123.6020 57.3237 43.1942 173.3267 36 K 3.5038 7.3141 118.8377 55.1228 34.7630 173.5897 37 Q 4.0337 7.6231 129.2624 55.8530 29.6291 175.0355 38 F 4.6024 9.4254 124.4436 56.0023 43.0136 173.8692 39 H 5.3284 7.9475 120.3673 55.2082 31.2477 172.2571 40 F 4.9611 8.7680 123.2169 55.1183 42.9498 176.0188 41 K 4.0464 8.9624 120.8297 59.7386 31.9796 176.0493 42 D 3.8874 7.1129 116.0263 51.3880 43.6404 175.9563 43 F 4.1048 7.5617 121.4684 60.1785 39.2230 176.4404 44 N 4.1824 8.0715 116.6398 56.7739 38.9286 176.5817 45 R 3.6792 8.5123 119.5742 59.4111 30.1888 178.9707 46 A 3.0205 7.2721 119.9094 54.2233 18.2282 179.1602 47 F 4.0920 7.5491 118.9498 60.3683 39.1352 177.8627 48 G 3.5251 8.2230 105.9998 47.8189 0.0000 175.3801 49 F 3.9927 7.7115 122.3145 61.1298 39.4176 177.3897 50 M 4.0200 7.9693 118.3036 58.4669 31.5289 178.9775 51 T 3.6985 7.6403 116.2102 66.5406 68.6282 177.2027 52 R 3.9963 7.3412 119.7412 59.1345 29.9599 179.3307 53 V 3.7622 7.5606 117.5609 65.8114 31.4922 178.0324 54 A 4.0455 8.1636 120.7148 54.8881 18.2533 179.3368 55 L 3.9067 8.3053 118.0696 58.1422 41.6696 179.7359 56 Q 3.6526 8.1465 118.9292 59.0738 29.0382 177.9592 57 A 3.9409 8.0668 121.4508 54.5040 17.9820 179.4941 58 E 3.7750 7.8678 116.9139 59.3036 29.8146 177.8691 59 K 3.8387 7.7062 118.7909 59.2090 32.1564 177.2680 60 L 4.3494 8.0219 115.1522 53.5614 42.1424 175.5321 61 D 4.2681 7.7520 117.3195 54.8542 39.8974 174.4499 62 H 4.6526 7.6222 117.1729 55.2461 30.7339 171.0614 63 H 4.4936 8.1803 122.1490 53.3701 29.9362 173.7292 64 P 4.3972 0.0000 0.0000 62.7068 32.7135 175.2943 65 E 4.7703 8.7140 118.7602 54.3846 31.7159 175.4277 66 W 6.3000 9.1174 120.2448 53.5685 32.3384 174.2197 67 F 5.0166 9.0156 121.1076 56.4966 42.3103 172.5236 68 N 4.8933 7.9617 123.6314 52.9670 40.9166 172.1381 69 V 3.6721 8.8111 127.0090 62.8501 31.7370 175.0636 70 Y 4.8273 8.6565 116.9084 58.7940 41.4597 176.3451 71 N 4.9937 8.1265 113.4988 52.0951 39.9172 173.5680 72 K 4.8683 8.1484 120.4165 55.9819 33.9963 175.8736 73 V 5.0625 9.7685 125.1762 61.4741 35.1672 173.6796 74 H 5.3835 9.4889 124.2650 54.2365 31.8112 172.9601 75 I 5.3513 8.2720 122.8596 60.2539 40.6835 175.0392 76 T 5.4318 8.7245 120.8000 62.5215 73.4178 172.7652 77 L 4.9082 8.8407 125.2905 53.0592 44.6078 175.7256 78 S 4.8965 8.7205 117.1999 56.9017 66.7035 172.9595 79 T 4.4191 8.2957 118.5921 63.0514 70.2412 175.7120 80 H 3.7695 8.7657 123.0887 58.7529 28.7366 176.2204 81 E 3.8023 7.7137 117.7000 60.1347 29.8933 178.2637 82 C 3.8336 8.1413 118.8596 61.4088 28.5714 174.4168 83 A 3.7325 8.0527 120.4232 52.5282 16.4681 176.7471 84 G 4.1575 7.2504 104.8723 47.3663 0.0000 172.6497 85 L 5.3299 8.5560 120.2566 54.7899 42.5130 176.8304 86 S 4.8434 8.7277 118.3367 56.2317 65.3898 175.1274 87 E 3.9354 8.8952 120.7095 59.0857 29.0924 179.8112 88 R 3.8448 7.6519 118.7582 59.4740 30.1762 177.9724 89 D 4.3507 7.9020 118.6304 57.6469 39.8438 179.0868 90 I 3.6701 7.7530 119.3769 63.2477 37.0461 177.2356 91 N 4.7442 7.4995 116.6974 54.1053 38.4076 176.7050 92 L 4.0035 8.4570 122.6264 57.9179 41.6437 178.9096 93 A 3.7755 7.7579 120.9035 55.0238 18.1428 179.5799 94 S 4.0900 7.3427 108.5564 61.0454 62.2576 176.2433 95 F 4.2353 8.2465 123.6960 61.2029 39.4623 177.2534 96 I 3.0190 8.0511 119.0846 63.7358 36.7641 177.4016 97 E 4.6009 7.7981 118.4693 58.1041 30.1123 178.0351 98 Q 4.0142 7.6564 117.0049 59.1149 27.4339 178.9221 99 V 3.5252 8.5970 120.1935 66.5181 31.5872 177.5331 100 A 4.0253 8.5647 116.4220 55.2966 17.5835 179.7769 101 V 3.5916 8.0808 109.0897 64.0374 31.9882 178.7047 102 S 4.0887 7.2495 111.5823 62.9453 62.6550 175.9139 103 M 3.8179 8.3531 121.5495 54.9023 31.7285 176.6485 104 T 3.8979 7.8833 111.8535 62.4259 70.9734 172.1094 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 *6 H 8.44 4.78 0.00 2.95 3.05 0.00 7.14 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 7 R 7.49 4.73 0.00 1.70 1.79 0.00 3.20 0.00 0.00 3.88 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 8 L 8.31 4.73 0.00 1.50 1.62 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.67 3.86 0.00 3.94 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 10 A 8.81 4.02 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 11 E 8.22 3.82 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 12 E 8.50 3.87 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 2.33 2.38 0.00 13 R 7.67 3.99 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.05 0.00 14 D 7.97 4.41 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.38 4.13 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 16 L 9.06 4.14 0.00 1.83 1.64 0.90 0.98 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 17 L 8.80 4.05 0.00 1.77 1.65 0.89 1.03 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 18 P 0.00 4.10 0.00 2.31 2.23 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 19 N 8.17 4.29 0.00 2.80 2.95 0.00 0.00 6.89 6.74 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 20 L 7.88 4.06 0.00 1.66 1.69 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.04 4.28 0.00 2.01 2.17 0.00 3.22 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 22 A 8.26 4.03 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 23 V 7.56 3.73 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 0.71 0.00 0.00 1.30 0.00 0.00 24 G 8.07 3.79 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 0.00 0.00 0.00 25 W 8.27 4.39 0.00 3.27 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 26 N 9.20 5.22 0.00 2.75 2.78 0.00 0.00 6.73 7.15 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 27 E 8.93 4.92 0.00 1.91 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 0.00 2.37 2.36 0.00 28 L 8.75 4.46 0.00 1.61 1.59 0.85 1.42 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 29 E 8.59 4.23 0.00 1.95 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 0.00 2.26 2.30 0.00 30 G 9.10 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 0.00 0.00 0.00 31 R 8.79 4.24 0.00 1.78 1.85 0.00 3.39 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 32 D 8.36 4.53 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 4.78 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 34 I 8.01 4.76 2.36 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 1.06 0.00 0.00 35 F 9.69 5.29 0.00 3.12 3.12 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 36 K 7.31 3.50 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.36 7.81 37 Q 7.62 4.03 0.00 1.32 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 38 F 9.43 4.60 0.00 2.77 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 39 H 7.95 5.33 0.00 2.97 2.91 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.77 4.96 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 41 K 8.96 4.05 0.00 1.74 1.86 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 42 D 7.11 3.89 0.00 2.87 2.67 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 0.00 0.00 0.00 0.00 43 F 7.56 4.10 0.00 2.88 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 44 N 8.07 4.18 0.00 2.82 2.81 0.00 0.00 7.23 7.65 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 45 R 8.51 3.68 0.00 1.95 1.65 0.00 3.23 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 46 A 7.27 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.55 4.09 0.00 2.15 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.53 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 0.00 49 F 7.71 3.99 0.00 2.76 2.46 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 50 M 7.97 4.02 0.00 1.52 1.96 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.01 0.00 51 T 7.64 3.70 4.14 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 1.09 0.00 0.00 52 R 7.34 4.00 0.00 1.51 1.97 0.00 3.08 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 53 V 7.56 3.76 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 0.93 0.00 0.00 0.35 0.00 0.00 54 A 8.16 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 3.91 0.00 1.90 1.73 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.15 3.65 0.00 1.42 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 57 A 8.07 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.87 3.78 0.00 2.26 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 2.37 2.46 0.00 59 K 7.71 3.84 0.00 1.60 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.36 7.81 60 L 8.02 4.35 0.00 1.51 1.57 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.75 4.27 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 62 H 7.62 4.65 0.00 3.03 3.11 0.00 5.97 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 63 H 8.18 4.49 0.00 3.03 3.06 0.00 5.95 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.40 0.00 1.29 1.72 0.00 3.26 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 0.49 0.87 0.00 65 E 8.71 4.77 0.00 2.23 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 2.28 0.00 66 W 9.12 6.30 0.00 3.41 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 67 F 9.02 5.02 0.00 3.22 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 68 N 7.96 4.89 0.00 2.55 2.41 0.00 0.00 7.00 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 69 V 8.81 3.67 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 0.86 0.00 0.00 1.26 0.00 0.00 70 Y 8.66 4.83 0.00 2.81 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 71 N 8.13 4.99 0.00 2.97 2.80 0.00 0.00 6.15 6.46 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 72 K 8.15 4.87 0.00 1.92 2.11 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.49 7.81 73 V 9.77 5.06 2.16 0.00 0.00 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 1.06 0.00 0.00 74 H 9.49 5.38 0.00 3.44 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.27 5.35 2.17 0.00 0.00 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 1.75 1.52 1.23 0.00 0.00 76 T 8.72 5.43 4.45 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 1.40 0.00 0.00 77 L 8.84 4.91 0.00 1.66 1.80 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.72 4.90 0.00 3.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.42 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 80 H 8.77 3.77 0.00 3.16 3.36 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.71 3.80 0.00 1.96 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 0.00 2.33 2.38 0.00 82 C 8.14 3.83 0.00 3.24 3.21 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 83 A 8.05 3.73 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 84 G 7.25 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 5.33 0.00 1.60 1.60 0.93 1.05 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 86 S 8.73 4.84 0.00 3.82 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 87 E 8.90 3.94 0.00 1.98 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 2.37 2.34 0.00 88 R 7.65 3.84 0.00 1.70 1.46 0.00 2.91 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 89 D 7.90 4.35 0.00 2.86 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 90 I 7.75 3.67 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.06 0.83 0.00 0.00 91 N 7.50 4.74 0.00 2.96 2.99 0.00 0.00 6.42 6.55 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 92 L 8.46 4.00 0.00 1.71 1.77 0.97 0.84 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 93 A 7.76 3.78 0.11 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 94 S 7.34 4.09 0.00 3.98 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 95 F 8.25 4.24 0.00 3.17 3.19 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 0.00 0.00 0.00 96 I 8.05 3.02 2.31 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 1.39 0.00 0.00 97 E 7.80 4.60 0.00 2.11 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 0.00 2.88 2.78 0.00 98 Q 7.66 4.01 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 99 V 8.60 3.53 1.74 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 0.92 0.00 0.00 0.10 0.00 0.00 100 A 8.56 4.03 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 0.00 0.00 0.00 0.00 0.00 101 V 8.08 3.59 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 0.98 0.00 0.00 1.09 0.00 0.00 102 S 7.25 4.09 0.00 4.08 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 0.00 103 M 8.35 3.82 0.00 2.02 2.49 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 104 T 7.88 3.90 4.28 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.