NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9991 8.3393 109.7468 45.1199 0.0000 174.5851 2 S 4.1049 9.5721 116.8815 60.8951 62.9537 174.2133 3 S 4.4036 8.3370 116.0831 60.1541 64.1555 176.6297 4 G 3.8601 7.9842 107.1213 45.9782 0.0000 172.1815 5 S 4.5547 8.4085 112.5586 57.1199 64.9801 175.8639 6 S 4.0422 8.6790 120.3622 59.8723 63.3635 175.8228 7 G 4.2003 8.7933 107.1953 45.1312 0.0000 172.4588 8 P 4.5830 0.0000 0.0000 63.5471 31.4695 177.4102 9 F 3.9203 7.6180 122.5263 61.1639 39.3241 175.3686 10 N 4.8192 8.2713 121.5429 51.9108 39.4927 175.2265 11 S 4.8102 8.1067 120.6293 57.4151 63.4379 174.4143 12 T 3.8916 7.4411 121.8654 66.5458 69.5385 177.2609 13 F 4.1423 7.5225 119.3304 61.2060 38.9074 177.6585 14 A 4.0250 8.0849 119.5575 55.4153 18.1922 178.8301 15 D 4.3599 7.9395 116.7905 58.0259 40.9913 179.4706 16 Q 4.0026 8.4786 118.4863 58.9466 28.6942 178.3899 17 E 3.7635 8.2412 120.0793 59.4541 29.3570 178.5759 18 A 4.0438 7.5259 119.5961 54.5843 18.3218 177.7603 19 E 4.5253 7.7787 113.1019 56.2249 30.1459 176.9560 20 L 4.2293 8.1547 120.5179 55.7748 44.3718 177.2258 21 L 3.9243 7.4058 118.5181 55.7995 41.9313 175.5567 22 G 4.0967 9.4120 112.0981 45.8250 0.0000 174.4291 23 K 3.4296 7.3086 118.4206 56.0381 32.1746 175.6590 24 P 4.4250 0.0000 0.0000 63.6642 31.7162 176.5736 25 W 4.3477 6.8183 115.5241 56.8743 29.3929 174.3970 26 Y 4.6989 6.6136 120.1160 57.3473 35.4362 175.9119 27 A 3.8904 8.9794 132.2892 52.8018 19.6196 178.7903 28 G 3.0408 5.8959 104.6909 45.1790 0.0000 173.4762 29 A 4.6807 8.1888 118.3760 52.5496 18.9683 177.7354 30 C 4.4558 7.0228 117.0115 59.6536 29.6776 174.7600 31 D 4.4585 8.5431 121.9259 54.7899 42.3020 178.0854 32 R 3.8642 8.5511 122.8348 59.5141 30.2049 178.5478 33 K 3.8200 8.1236 118.8258 59.9433 31.9833 178.2667 34 S 4.0900 7.6221 114.3132 61.7261 62.9202 176.4887 35 A 3.9847 7.7289 122.6853 55.4627 18.0925 179.6453 36 E 4.0554 8.1113 116.3135 59.4657 29.5768 178.9792 37 E 3.9167 8.3579 118.4294 59.6743 29.4233 179.2568 38 A 3.8879 8.0013 119.4447 55.0231 18.5519 179.5180 39 L 3.7905 7.2922 116.3164 58.1711 41.5835 179.0346 40 H 4.2625 8.5428 116.5908 58.9192 28.3592 178.0218 41 R 3.9619 7.9401 117.4110 58.8396 29.3655 178.7217 42 S 3.8791 7.3679 113.2748 60.6937 62.7930 175.0623 43 N 4.4445 6.6617 113.5939 54.8122 37.6705 175.1079 44 K 4.2742 7.4887 115.9875 53.1367 33.5459 172.8013 45 D 4.3089 8.4372 121.3215 56.8838 40.8436 175.9896 46 G 3.7508 9.0358 122.0329 45.7413 0.0000 172.8192 47 S 4.9993 8.3994 117.7859 58.5338 64.0739 173.2049 48 F 6.1404 8.2679 115.7699 56.0568 42.0034 172.8420 49 L 5.2958 8.2906 114.0870 56.1338 43.1891 173.2604 50 I 4.6579 8.8763 125.1988 60.4384 39.2302 174.6317 51 R 4.9745 8.6923 123.6140 53.7956 31.6128 175.1612 52 K 4.2420 8.5571 125.6273 57.1628 32.8032 176.8112 53 S 4.4954 8.2560 121.8040 57.6101 64.4702 173.3379 54 S 4.2352 8.6737 114.5782 58.0744 62.5866 173.7647 55 G 3.6364 8.2792 112.3888 46.6759 0.0000 172.9586 56 H 3.9531 8.6939 122.2538 57.3362 27.6299 174.0365 57 D 4.8220 7.7618 116.2579 52.8056 42.6211 175.2847 58 S 4.3333 8.1324 113.9977 59.8723 64.6821 175.4803 59 K 4.1656 8.1266 118.9982 58.6642 32.0299 175.7813 60 Q 4.7360 7.5743 119.4677 53.1134 29.2944 172.6251 61 P 3.9257 0.0000 0.0000 65.0128 32.9113 175.7059 62 Y 5.1790 7.8586 115.9136 56.4343 43.5752 173.9747 63 T 5.1795 8.5358 114.5014 62.4065 73.0773 173.5086 64 L 4.6641 8.9053 128.9546 54.5148 44.1378 175.7835 65 V 4.9101 8.4590 123.3783 61.2069 34.2025 173.4832 66 A 5.1519 9.0056 130.7438 50.6878 20.3599 175.7226 67 F 4.9567 9.6333 126.6151 58.1201 41.1365 174.4364 68 F 4.7947 7.9784 127.1308 54.5394 43.3626 171.4225 69 N 4.3272 8.7326 119.9579 53.4175 38.5885 174.2611 70 K 4.0480 8.2690 127.8322 56.6941 30.1187 175.2294 71 R 4.5655 7.5150 115.1703 54.8645 34.6221 174.7257 72 V 4.6559 7.5749 118.2986 61.7936 34.5030 173.6756 73 Y 4.6658 9.0324 126.1184 56.3677 40.4580 174.7734 74 N 5.4137 8.9526 123.5411 51.4943 38.1544 173.7876 75 I 4.4632 8.8007 127.3836 59.5554 39.3266 173.6286 76 P 4.6108 0.0000 0.0000 63.0890 32.3933 175.9852 77 V 5.2139 8.2273 125.9650 60.6135 30.0718 175.5693 78 R 4.5253 8.3347 124.2416 55.8060 32.0116 175.1982 79 F 4.6885 8.5840 122.8986 56.5138 41.5934 175.4852 80 I 3.7419 7.9007 128.4341 60.0135 35.4416 176.3253 81 E 3.1123 8.2105 126.2697 59.0555 29.8349 179.2977 82 A 3.8440 7.4767 120.3165 54.9049 18.4928 177.9340 83 T 4.3874 7.2501 101.3769 60.2921 69.5339 173.8287 84 K 3.6002 7.7232 120.2465 58.0575 30.2284 174.9728 85 Q 5.0287 7.3975 116.8769 54.8362 32.3114 174.0263 86 Y 5.3988 9.0902 116.1109 56.7534 41.8737 175.1177 87 A 5.4253 9.2051 122.7187 50.7413 23.5651 174.6309 88 L 4.6686 8.7284 118.6170 54.1113 43.8834 178.3808 89 G 3.8646 8.8293 113.5902 44.3356 0.0000 172.4846 90 K 4.0716 8.4238 118.0382 56.2693 32.6247 176.3850 91 K 4.9366 8.1791 117.1542 56.3542 33.0773 176.0073 92 K 4.6633 8.1729 118.9940 54.7931 36.3864 175.2493 93 N 4.6435 8.5725 116.9657 53.1952 38.5672 172.9402 94 G 3.1170 7.9246 101.5480 45.1195 0.0000 173.8172 95 E 4.0017 7.7765 118.0109 55.3219 30.6540 175.6853 96 E 3.8922 8.1254 119.4054 56.0535 30.0543 176.1264 97 Y 4.7087 7.8481 120.9952 56.4341 39.4637 175.4207 98 F 4.9386 8.9995 124.3361 55.8718 41.3167 177.0895 99 G 3.9182 8.7718 109.9153 47.8593 0.0000 173.7856 100 S 4.5800 7.6517 113.7345 57.2070 67.3395 175.5168 101 V 3.0763 7.3913 121.0752 66.0403 31.4199 178.1935 102 V 3.4541 7.7614 118.5347 66.2287 31.0999 177.5581 103 E 3.8421 7.6955 117.3858 59.5045 29.1149 179.2253 104 I 2.4518 6.9912 119.5644 63.7811 36.9709 178.5940 105 V 3.0218 6.8004 118.1519 65.3922 31.6942 177.5007 106 N 4.1643 7.9635 116.4663 56.6465 38.3891 177.5994 107 S 4.0909 8.3647 116.5908 61.8677 62.6722 176.5477 108 H 4.5846 7.5587 119.2141 58.7448 28.4880 177.5871 109 Q 4.1496 7.7601 120.3598 58.8642 28.5786 178.2321 110 H 4.5630 7.3701 112.7589 57.2561 30.4350 175.2550 111 N 4.8317 8.3861 117.9390 51.7356 39.6594 173.4427 112 P 4.4615 0.0000 0.0000 62.8556 32.4972 176.0823 113 L 4.3905 7.7694 124.1701 52.5627 42.3566 175.0011 114 V 3.3633 8.1934 123.8408 63.7204 31.9187 175.9844 115 L 4.2497 7.8625 128.8710 53.5091 40.5567 175.6886 116 I 3.8727 7.7438 122.6494 59.6854 35.9939 174.1163 117 D 4.5772 8.2646 122.9864 53.6550 40.3421 176.9727 118 S 4.0493 8.6459 121.6959 61.4532 63.2102 176.3275 119 Q 3.9666 8.1690 120.7347 58.3038 28.9293 176.5780 120 N 4.7321 7.7559 121.4994 51.1308 37.5043 174.2386 121 N 4.5168 8.3125 120.3379 52.9469 35.1492 173.5538 122 T 4.2611 7.6586 113.3347 59.9646 70.2998 174.9670 123 K 3.9663 8.3944 128.5468 56.3749 30.6889 175.2132 124 D 4.5914 7.9076 124.7517 52.6089 44.2597 174.7163 125 S 4.7999 8.4827 118.2310 57.5296 65.9819 173.5388 126 T 4.5812 7.9298 113.1974 61.1939 70.7299 172.2876 127 R 4.1165 8.6717 128.3299 55.1772 31.0456 176.0253 128 L 4.0699 8.4371 123.5998 55.5536 41.9003 177.3445 129 K 4.2155 8.5450 120.8937 57.1932 34.2625 176.3603 130 Y 4.8453 8.0259 115.5464 56.2806 41.3230 175.2497 131 A 3.9342 8.5220 122.0975 50.1956 20.8848 175.4858 132 V 3.9980 7.9734 121.4507 62.1626 32.2182 174.7184 133 K 4.5755 8.3127 130.0448 54.5703 33.2451 176.4404 134 V 3.9600 8.3018 127.0794 61.9674 32.6808 175.6790 135 S 4.4383 8.1080 114.9753 57.6760 65.3461 174.0718 136 S 4.1232 8.8142 123.2093 62.1515 62.5526 173.0795 137 G 4.0324 8.0388 102.9998 42.7241 0.0000 172.0306 138 P 4.2030 0.0000 0.0000 65.4030 31.4453 176.5406 139 S 3.9523 7.9265 113.9020 58.1506 61.8340 173.1898 140 S 4.4177 9.2753 124.0404 58.1651 62.2743 174.0987 141 G 3.4546 8.7861 116.0883 45.4410 0.0000 171.8345 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 G 8.34 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 2 S 9.57 4.10 0.00 4.09 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 3 S 8.34 4.40 0.00 3.94 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 4 G 7.98 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 0.00 0.00 0.00 5 S 8.41 4.55 0.00 3.78 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 6 S 8.68 4.04 0.00 3.90 3.85 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 7 G 8.79 4.20 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 0.00 0.00 0.00 8 P 0.00 4.58 0.00 2.23 2.22 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 9 F 7.62 3.92 0.00 2.95 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 10 N 8.27 4.82 0.00 2.85 2.80 0.00 0.00 6.80 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 11 S 8.11 4.81 0.00 3.80 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 12 T 7.44 3.89 3.46 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 0.92 0.00 0.00 13 F 7.52 4.14 0.00 3.06 3.13 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 14 A 8.08 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.36 0.00 2.89 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 16 Q 8.48 4.00 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 17 E 8.24 3.76 0.00 2.13 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 2.28 2.34 0.00 18 A 7.53 4.04 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 19 E 7.78 4.53 0.00 2.07 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 2.24 2.25 0.00 20 L 8.15 4.23 0.00 1.12 0.64 0.50 0.66 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 21 L 7.41 3.92 0.00 1.53 1.58 0.91 1.07 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 22 G 9.41 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 0.00 0.00 0.00 23 K 7.31 3.43 0.00 0.79 0.74 0.00 1.71 0.00 0.00 1.55 0.00 0.00 3.18 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.01 0.58 7.81 24 P 0.00 4.42 0.00 2.17 2.14 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 25 W 6.82 4.35 0.00 3.29 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 26 Y 6.61 4.70 0.00 2.02 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 27 A 8.98 3.89 1.26 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 0.00 0.00 0.00 28 G 5.90 3.04 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 29 A 8.19 4.68 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 30 C 7.02 4.46 0.00 3.03 2.82 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 31 D 8.54 4.46 0.00 2.67 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 32 R 8.55 3.86 0.00 1.89 1.94 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 33 K 8.12 3.82 0.00 1.86 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.57 7.81 34 S 7.62 4.09 0.00 4.21 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 35 A 7.73 3.98 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 36 E 8.11 4.06 0.00 2.24 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 2.44 2.43 0.00 37 E 8.36 3.92 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 38 A 8.00 3.89 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 39 L 7.29 3.79 0.00 2.03 1.68 1.16 1.04 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 40 H 8.54 4.26 0.00 3.25 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.94 3.96 0.00 1.88 2.08 0.00 3.01 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 0.00 42 S 7.37 3.88 0.00 3.58 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.66 4.44 0.00 2.91 2.84 0.00 0.00 7.12 6.61 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 44 K 7.49 4.27 0.00 1.30 0.79 0.00 0.70 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.16 1.25 7.81 45 D 8.44 4.31 0.00 2.23 2.34 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 46 G 9.04 3.75 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 0.00 0.00 0.00 47 S 8.40 5.00 0.00 3.97 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 48 F 8.27 6.14 0.00 3.09 3.16 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 49 L 8.29 5.30 0.00 1.93 1.94 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.88 4.66 2.55 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.10 1.18 0.00 0.00 51 R 8.69 4.97 0.00 1.91 2.06 0.00 2.84 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 52 K 8.56 4.24 0.00 2.07 1.85 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.45 1.34 7.81 53 S 8.26 4.50 0.00 4.07 3.83 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 0.00 0.00 0.00 0.00 54 S 8.67 4.24 0.00 3.84 4.08 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 0.00 0.00 0.00 55 G 8.28 3.64 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 0.00 0.00 0.00 56 H 8.69 3.95 0.00 3.29 3.43 0.00 5.72 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.76 4.82 0.00 2.45 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 58 S 8.13 4.33 0.00 3.81 3.83 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 0.00 0.00 0.00 0.00 59 K 8.13 4.17 0.00 1.86 1.90 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.41 7.81 60 Q 7.57 4.74 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.11 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 61 P 0.00 3.93 0.00 1.94 1.93 0.00 4.04 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.28 0.00 62 Y 7.86 5.18 0.00 3.01 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 63 T 8.54 5.18 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 1.36 0.00 0.00 64 L 8.91 4.66 0.00 1.83 1.58 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.46 4.91 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 1.14 0.00 0.00 1.08 0.00 0.00 66 A 9.01 5.15 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 67 F 9.63 4.96 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.79 0.00 3.32 2.94 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 69 N 8.73 4.33 0.00 2.81 2.94 0.00 0.00 7.01 6.72 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 70 K 8.27 4.05 0.00 1.96 1.93 0.00 1.90 0.00 0.00 2.01 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 R 7.52 4.57 0.00 1.79 1.41 0.00 3.15 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 72 V 7.57 4.66 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 0.82 0.00 0.00 0.91 0.00 0.00 73 Y 9.03 4.67 0.00 3.04 2.87 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 74 N 8.95 5.41 0.00 2.76 2.93 0.00 0.00 6.32 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 75 I 8.80 4.46 1.95 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 1.35 0.83 0.99 0.00 0.00 76 P 0.00 4.61 0.00 2.19 2.25 0.00 3.75 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 2.13 2.02 0.00 77 V 8.23 5.21 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 1.13 0.00 0.00 78 R 8.33 4.53 0.00 1.91 1.92 0.00 3.33 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 79 F 8.58 4.69 0.00 2.64 2.94 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 80 I 7.90 3.74 1.64 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.23 0.68 0.00 0.00 81 E 8.21 3.11 0.00 1.97 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 2.40 2.53 0.00 82 A 7.48 3.84 1.16 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 83 T 7.25 4.39 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 1.03 0.00 0.00 84 K 7.72 3.60 0.00 2.00 2.18 0.00 1.92 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.58 7.81 85 Q 7.40 5.03 0.00 1.93 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.53 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 86 Y 9.09 5.40 0.00 3.21 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 87 A 9.21 5.43 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 88 L 8.73 4.67 0.00 1.64 1.66 0.99 1.07 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 89 G 8.83 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 0.00 0.00 0.00 90 K 8.42 4.07 0.00 1.89 1.91 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 91 K 8.18 4.94 0.00 2.03 1.88 0.00 1.14 0.00 0.00 2.38 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.43 7.81 92 K 8.17 4.66 0.00 1.63 1.69 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.44 7.81 93 N 8.57 4.64 0.00 2.67 2.77 0.00 0.00 6.96 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 94 G 7.92 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 0.00 0.00 0.00 95 E 7.78 4.00 0.00 1.95 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 1.95 1.64 0.00 96 E 8.13 3.89 0.00 1.78 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 2.07 2.14 0.00 97 Y 7.85 4.71 0.00 2.86 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 98 F 9.00 4.94 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.65 4.58 0.00 3.85 3.70 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 0.00 101 V 7.39 3.08 1.69 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 0.78 0.00 0.00 0.25 0.00 0.00 102 V 7.76 3.45 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 1.23 0.00 0.00 1.03 0.00 0.00 103 E 7.70 3.84 0.00 2.22 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 2.34 2.57 0.00 104 I 6.99 2.45 1.55 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.26 0.32 0.00 0.00 105 V 6.80 3.02 1.52 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 -0.06 0.00 0.00 -0.07 0.00 0.00 106 N 7.96 4.16 0.00 2.65 2.81 0.00 0.00 7.26 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 0.00 107 S 8.36 4.09 0.00 3.93 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 0.00 108 H 7.56 4.58 0.00 2.95 3.14 0.00 5.85 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 0.00 109 Q 7.76 4.15 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 110 H 7.37 4.56 0.00 3.17 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.39 4.83 0.00 2.73 2.73 0.00 0.00 6.88 7.62 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 0.00 112 P 0.00 4.46 0.00 2.04 2.03 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 113 L 7.77 4.39 0.00 1.32 1.48 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.19 3.36 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 0.75 0.00 0.00 0.88 0.00 0.00 115 L 7.86 4.25 0.00 1.05 0.89 0.56 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.74 3.87 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.88 0.00 0.00 117 D 8.26 4.58 0.00 2.96 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 0.00 118 S 8.65 4.05 0.00 4.03 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 0.00 119 Q 8.17 3.97 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 120 N 7.76 4.73 0.00 2.76 2.80 0.00 0.00 7.20 8.76 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 0.00 121 N 8.31 4.52 0.00 2.79 2.87 0.00 0.00 6.06 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 0.00 122 T 7.66 4.26 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 1.21 0.00 0.00 123 K 8.39 3.97 0.00 1.66 1.75 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.46 7.81 124 D 7.91 4.59 0.00 1.88 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 0.00 0.00 0.00 125 S 8.48 4.80 0.00 3.88 3.80 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 0.00 126 T 7.93 4.58 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 1.44 0.00 0.00 127 R 8.67 4.12 0.00 1.69 2.10 0.00 3.30 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 128 L 8.44 4.07 0.00 1.39 1.27 -0.21 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.54 4.22 0.00 1.30 1.04 0.00 1.42 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.50 7.81 130 Y 8.03 4.85 0.00 2.92 2.83 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 0.00 0.00 0.00 0.00 131 A 8.52 3.93 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 0.00 132 V 7.97 4.00 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 0.75 0.00 0.00 0.82 0.00 0.00 133 K 8.31 4.58 0.00 1.83 1.63 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.38 7.81 134 V 8.30 3.96 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 0.61 0.00 0.00 0.93 0.00 0.00 135 S 8.11 4.44 0.00 3.76 3.69 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 0.00 136 S 8.81 4.12 0.00 3.84 3.83 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 0.00 0.00 0.00 0.00 137 G 8.04 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 0.00 138 P 0.00 4.20 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 139 S 7.93 3.95 0.00 3.84 3.85 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 0.00 140 S 9.28 4.42 0.00 3.86 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 0.00 141 G 8.79 3.45 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 0.00