NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9999 8.3549 109.7413 45.6945 0.0000 172.9082 5 S 4.3574 8.6051 113.8040 60.0826 63.2706 174.6574 6 R 3.9117 8.4032 120.5888 59.3699 30.7990 177.6896 7 R 3.6376 7.9464 116.8046 58.8823 29.9988 176.3440 8 Y 4.4870 7.9445 112.8877 57.5216 38.2464 174.7728 9 D 4.5972 7.6370 121.2581 53.7653 41.4454 176.5359 10 S 4.1910 8.7292 122.8476 59.3311 63.8408 173.8326 11 R 3.8029 8.6057 120.3342 56.9882 26.7390 177.1116 12 T 3.9023 7.8269 107.8343 63.6054 69.8016 175.5182 13 T 4.5572 7.2033 112.5428 61.2788 68.7828 173.3001 14 I 4.4639 7.3010 113.6369 59.7042 40.9443 174.9050 15 F 4.6927 8.3925 119.8327 57.0361 39.9439 175.7069 16 S 4.5274 8.2486 118.1433 56.0704 64.4635 173.5558 17 P 4.5184 0.0000 0.0000 65.2686 30.9991 177.3467 18 E 4.2246 7.8499 115.7879 55.9818 29.5918 176.5444 19 G 3.6200 8.4182 107.3813 46.3995 0.0000 173.8007 20 R 4.5840 7.7081 116.9083 53.9829 33.0100 175.6980 21 L 4.4492 8.0028 120.4167 53.7712 42.1274 177.0527 22 Y 3.7239 7.2303 121.6027 61.6594 37.9024 178.9804 23 Q 3.9121 8.0079 117.8976 59.0984 28.9004 179.5164 24 V 3.5785 7.5464 118.6720 66.0555 31.8208 177.8031 25 E 4.0198 8.1034 118.3307 59.7152 29.3438 178.9988 26 Y 4.4993 8.1992 116.7672 60.8313 37.9082 178.0094 27 A 4.0904 8.3135 122.0421 55.0850 18.4604 179.6885 28 L 3.9531 8.1764 117.6460 57.8134 41.4170 179.3143 29 E 3.9480 7.8680 118.2582 59.1420 29.8722 178.5529 30 S 4.2771 7.9880 113.1338 61.4425 62.4195 176.0751 31 I 3.6990 7.9354 122.8565 64.3517 36.6896 178.2101 32 S 4.1875 7.8622 113.1312 60.5152 62.7248 174.4598 33 H 4.7268 7.7703 118.0320 55.5615 29.2598 174.6100 34 A 4.4582 7.9229 123.4217 50.5502 19.7243 177.4864 35 G 4.0722 8.4379 106.4581 46.3985 0.0000 173.5953 36 T 4.3826 8.5889 119.2476 63.1936 69.9593 173.2604 37 A 5.2028 8.5301 126.1469 50.2118 21.9002 175.3686 38 I 4.6102 9.4790 123.3392 59.3230 41.1521 174.8983 39 G 4.4210 8.6944 112.0036 44.5319 0.0000 171.8677 40 I 4.7322 8.7833 125.2025 59.6844 41.0351 173.8839 41 M 4.7311 8.8403 126.7642 54.0552 33.4920 174.8888 42 A 4.8561 8.7865 129.3614 49.8884 22.1051 176.1026 43 S 4.3134 8.6795 112.8992 60.8153 63.1796 174.9501 44 D 4.8766 8.9794 118.3513 50.7677 39.6639 175.9915 45 G 4.0350 6.9110 108.0600 46.3392 0.0000 171.3202 46 I 5.1424 7.6483 118.4879 59.4956 41.3237 175.4050 47 V 4.5240 8.8734 124.4582 61.0798 34.7348 174.1769 48 L 5.3567 8.6008 125.9944 52.9443 44.6681 175.7357 49 A 4.8293 9.1895 124.5357 50.3281 22.7016 174.6750 50 A 5.0487 8.4471 121.9327 50.3098 22.7407 174.8520 51 E 4.4192 9.0779 122.0979 54.7951 31.4438 175.6944 52 R 4.2058 8.5226 126.5416 55.5660 30.6372 176.0742 53 K 4.0361 8.5881 124.9327 56.6837 33.0221 173.1111 54 V 3.1888 8.5257 130.6607 62.8308 32.2720 171.4990 55 T 4.6479 8.0260 114.3001 60.8640 71.5421 172.0352 56 S 4.6916 8.0964 115.0555 56.7324 65.8387 174.7794 57 T 3.8911 8.4920 119.7445 66.6474 68.1652 175.8602 58 L 4.2010 7.7318 118.0755 55.2954 42.0830 176.6184 59 L 3.9451 7.3437 122.4686 54.5453 41.1627 176.2584 60 E 4.1382 8.6468 127.2553 55.8123 28.7584 176.4739 61 Q 4.2031 8.4748 128.6221 58.5700 29.7637 177.9397 62 D 4.3287 8.2251 117.1049 57.4418 40.9006 177.0994 63 T 4.3738 7.2498 110.0426 63.2788 68.5766 174.3153 63A S 4.7103 7.3273 116.0020 57.1905 63.9867 174.1756 64 T 4.2870 7.9518 122.0700 63.0422 71.0693 173.2180 65 E 4.8484 8.6199 122.4228 55.5103 31.3682 176.1142 66 K 4.6921 7.7769 116.1908 56.0614 36.2491 175.5997 67 L 5.2318 7.7385 119.3492 53.0725 43.5467 175.7768 68 Y 4.7665 8.9782 121.3389 55.8861 42.1642 174.7373 69 K 4.5009 8.8157 124.2454 55.7045 33.2183 176.0343 70 L 4.4222 8.5946 125.7154 55.8203 42.9975 175.2267 71 N 5.0256 7.9869 114.2154 52.3178 41.9279 172.8483 72 D 4.6404 8.6785 116.1068 55.3386 41.5370 177.2754 73 K 4.6050 7.9669 116.5826 55.8561 34.1186 175.2314 74 I 5.2898 7.5256 119.3361 59.4925 41.2956 174.1691 75 A 5.2011 9.2393 126.5000 50.6725 23.2800 175.1740 76 V 4.9274 8.9160 111.1465 59.5598 36.4306 174.6662 77 A 5.2181 8.8046 124.5699 50.2637 21.5957 175.5609 78 V 4.8123 8.8736 122.0866 61.0759 34.2548 175.1930 79 A 4.3666 9.3085 128.0131 52.6041 21.4347 173.9326 80 G 3.7311 8.6509 112.6808 45.1648 0.0000 172.9288 81 L 4.1171 8.4382 125.7896 54.8177 41.7251 177.6941 82 T 3.8724 8.8956 121.5722 66.8737 68.3062 176.2275 83 A 3.9996 8.0088 121.8077 55.3476 18.2845 179.2689 84 D 4.4393 8.1295 116.7255 57.3347 40.9725 178.6916 85 A 3.9700 7.9400 121.4204 55.2408 18.4168 179.5063 86 E 3.8111 8.3243 117.2321 59.3502 28.9197 179.6848 87 I 3.6718 7.4725 119.9839 64.5347 37.2650 178.5321 88 L 3.8500 7.4844 119.7306 57.5770 41.3009 179.5500 89 I 3.4990 8.1451 120.2517 64.4126 37.1351 177.9716 90 N 4.2716 8.1230 118.0459 56.8378 38.6800 177.0286 91 T 3.9599 7.6910 110.2957 64.4678 68.9213 176.6861 92 A 3.9704 8.0709 123.7740 55.0841 18.2781 179.7542 93 R 3.9089 8.2450 116.8467 59.3364 29.9833 179.4969 94 I 3.7029 7.6190 119.3450 64.7293 37.2264 177.7839 95 H 4.1463 8.6008 119.2223 59.3585 29.5504 177.0853 96 A 3.9626 8.0981 122.4980 55.3108 18.2296 179.7086 97 Q 4.0286 7.9829 116.4672 59.0252 28.7361 178.6133 98 N 4.3374 8.5185 117.9795 56.3463 38.4786 176.8114 99 Y 3.9135 8.0074 120.8798 60.6674 38.9704 177.7926 100 L 4.3943 8.0850 122.6676 57.6096 41.9290 178.8889 101 K 3.9708 8.0374 118.8848 59.4723 32.1573 178.8259 102 T 3.7633 7.4786 115.4267 65.9901 68.5375 175.6900 103 Y 4.5590 7.5140 114.8477 56.4680 39.0986 175.3926 104 N 4.4142 8.3427 116.1833 53.8391 36.9363 173.8816 105 E 4.8408 7.8757 114.6603 54.5782 33.8548 175.0539 106 D 4.5637 8.5958 121.9132 54.0875 41.6071 176.1941 107 I 2.8869 8.0210 122.6806 59.6405 38.6637 174.1077 108 P 4.1792 0.0000 0.0000 62.3389 32.1799 176.9684 109 V 3.4901 8.4848 122.9799 66.4526 31.3396 178.1302 110 E 3.8006 8.0063 118.0314 59.3192 29.5794 178.6057 111 I 3.6840 7.3475 119.9494 64.2346 37.2366 178.2075 112 L 3.9796 7.6039 120.7247 57.9835 42.0161 178.9903 113 V 2.9600 7.5266 118.2579 65.7103 31.2867 177.9905 114 R 3.8192 8.3078 118.8727 59.2425 29.9009 178.4289 115 R 3.8122 7.7950 118.1469 59.5067 30.1451 178.5413 116 L 3.9991 7.7293 118.3883 57.9526 41.5110 179.7425 117 S 4.2382 8.2682 115.1561 61.6707 62.7385 176.4876 118 D 4.3858 8.4724 121.9674 57.2474 40.2893 178.8215 119 I 3.8304 7.5582 119.5469 64.3792 37.0317 178.2778 120 K 4.2575 8.0490 119.1745 59.6098 31.8395 179.0849 121 Q 4.1759 8.5667 120.2366 59.0942 28.9182 178.5079 122 G 3.7284 8.2723 106.7266 48.2007 0.0000 174.8329 123 Y 4.0159 7.8675 115.1245 59.4889 37.8654 177.4887 124 T 4.3151 7.9101 116.3263 63.9292 69.3529 174.9485 125 Q 4.4588 7.8136 119.8153 56.1545 31.1826 174.5200 126 H 4.7872 7.6596 110.6159 54.7609 30.2497 172.9302 127 G 3.8160 8.9679 108.4283 44.2122 0.0000 174.9109 128 G 4.0703 7.8306 105.7522 46.3522 0.0000 173.1394 129 L 4.7115 6.8771 118.5526 52.0285 44.0143 176.8613 130 R 4.1101 8.1320 116.8163 55.4035 30.1105 174.7194 131 P 4.5162 0.0000 0.0000 62.0029 32.2757 175.8454 132 F 4.3327 8.3817 118.5346 57.3476 40.1450 177.4064 133 G 4.0256 8.8618 115.0180 45.0097 0.0000 172.8254 134 V 4.8249 7.2533 117.9903 61.4030 35.8607 175.1472 135 S 4.6074 8.4169 121.2848 56.7151 66.5242 173.0716 136 F 5.4089 8.7478 122.0024 55.6747 42.2077 174.7914 137 I 4.5001 8.3018 122.0198 59.9153 39.8100 174.0505 138 Y 5.0638 8.8820 124.8555 56.3907 39.6981 175.0407 139 A 4.7329 9.3724 126.2436 50.3214 21.5423 175.3158 140 G 4.9889 8.5249 108.0481 45.6699 0.0000 170.7419 141 Y 4.9942 8.4069 120.1013 55.8043 41.7416 173.8502 142 D 4.6531 7.4722 123.8114 51.7012 42.5375 174.6090 143 D 4.4927 8.4988 117.5602 53.7114 39.3646 176.3727 144 R 4.0924 8.3170 126.3349 56.7521 30.0667 175.4376 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 4 G 8.35 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 5 S 8.61 4.36 0.00 4.04 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 6 R 8.40 3.91 0.00 1.83 1.95 0.00 3.15 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 7 R 7.95 3.64 0.00 1.51 1.10 0.00 2.40 0.00 0.00 2.94 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.35 0.00 8 Y 7.94 4.49 0.00 2.97 2.98 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 0.00 0.00 0.00 9 D 7.64 4.60 0.00 2.65 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 10 S 8.73 4.19 0.00 3.91 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 11 R 8.61 3.80 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 12 T 7.83 3.90 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 1.21 0.00 0.00 13 T 7.20 4.56 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 1.17 0.00 0.00 14 I 7.30 4.46 1.94 0.00 0.00 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 1.49 1.07 0.92 0.00 0.00 15 F 8.39 4.69 0.00 3.06 2.84 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 16 S 8.25 4.53 0.00 3.68 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 17 P 0.00 4.52 0.00 2.08 2.19 0.00 3.73 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 2.10 2.18 0.00 18 E 7.85 4.22 0.00 1.84 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 2.30 2.28 0.00 19 G 8.42 3.62 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 0.00 0.00 0.00 20 R 7.71 4.58 0.00 1.69 1.71 0.00 3.08 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 21 L 8.00 4.45 0.00 1.58 1.48 0.81 0.16 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 22 Y 7.23 3.72 0.00 2.82 2.40 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 23 Q 8.01 3.91 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 24 V 7.55 3.58 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 1.07 0.00 0.00 0.90 0.00 0.00 25 E 8.10 4.02 0.00 2.05 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 2.47 2.43 0.00 26 Y 8.20 4.50 0.00 2.95 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 27 A 8.31 4.09 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 28 L 8.18 3.95 0.00 1.92 1.75 0.93 0.64 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 29 E 7.87 3.95 0.00 2.13 2.27 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 2.34 2.39 0.00 30 S 7.99 4.28 0.00 4.00 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 31 I 7.94 3.70 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.79 0.93 0.00 0.00 32 S 7.86 4.19 0.00 3.97 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 33 H 7.77 4.73 0.00 3.30 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.92 4.46 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 35 G 8.44 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 0.00 0.00 0.00 0.00 36 T 8.59 4.38 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 37 A 8.53 5.20 1.19 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 0.00 0.00 38 I 9.48 4.61 1.88 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 1.17 0.81 0.92 0.00 0.00 39 G 8.69 4.42 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 0.00 40 I 8.78 4.73 1.88 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 1.12 0.83 0.92 0.00 0.00 41 M 8.84 4.73 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 8.79 4.86 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 43 S 8.68 4.31 0.00 4.00 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 44 D 8.98 4.88 0.00 2.77 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 45 G 6.91 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 46 I 7.65 5.14 1.90 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 1.27 0.76 0.94 0.00 0.00 47 V 8.87 4.52 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 0.98 0.00 0.00 0.94 0.00 0.00 48 L 8.60 5.36 0.00 1.52 1.53 0.94 0.74 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 49 A 9.19 4.83 1.18 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 0.00 0.00 50 A 8.45 5.05 1.18 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 0.00 0.00 51 E 9.08 4.42 0.00 2.04 1.82 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 2.25 2.28 0.00 52 R 8.52 4.21 0.00 1.84 1.95 0.00 3.24 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 53 K 8.59 4.04 0.00 1.79 1.71 0.00 2.02 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.53 3.19 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.03 4.65 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 56 S 8.10 4.69 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 3.89 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 58 L 7.73 4.20 0.00 1.61 1.71 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.34 3.95 0.00 1.53 1.70 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.65 4.14 0.00 2.08 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 2.37 2.35 0.00 61 Q 8.47 4.20 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.45 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 62 D 8.23 4.33 0.00 2.68 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 63 T 7.25 4.37 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 63A S 7.33 4.71 0.00 4.00 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 64 T 7.95 4.29 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 0.55 0.00 0.00 65 E 8.62 4.85 0.00 2.06 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 2.15 2.30 0.00 66 K 7.78 4.69 0.00 1.66 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.45 7.81 67 L 7.74 5.23 0.00 1.35 1.48 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.98 4.77 0.00 2.80 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 69 K 8.82 4.50 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.46 7.81 70 L 8.59 4.42 0.00 1.79 1.68 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.99 5.03 0.00 2.62 2.87 0.00 0.00 7.25 8.07 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 72 D 8.68 4.64 0.00 2.72 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 73 K 7.97 4.60 0.00 1.83 2.04 0.00 1.68 0.00 0.00 1.99 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 74 I 7.53 5.29 1.88 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 1.29 0.79 0.96 0.00 0.00 75 A 9.24 5.20 1.20 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 76 V 8.92 4.93 1.81 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 0.20 0.00 0.00 0.84 0.00 0.00 77 A 8.80 5.22 1.23 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 0.00 0.00 78 V 8.87 4.81 2.27 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 0.76 0.00 0.00 1.26 0.00 0.00 79 A 9.31 4.37 1.19 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 0.00 0.00 80 G 8.65 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 0.00 0.00 0.00 81 L 8.44 4.12 0.00 1.68 1.65 0.93 0.91 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 82 T 8.90 3.87 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 1.31 0.00 0.00 83 A 8.01 4.00 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 84 D 8.13 4.44 0.00 2.94 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 85 A 7.94 3.97 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 86 E 8.32 3.81 0.00 2.11 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 2.08 2.46 0.00 87 I 7.47 3.67 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.45 0.98 0.00 0.00 88 L 7.48 3.85 0.00 1.83 1.69 0.57 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.15 3.50 1.78 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 0.76 0.00 0.00 90 N 8.12 4.27 0.00 2.82 2.92 0.00 0.00 7.02 7.07 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 91 T 7.69 3.96 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 1.23 0.00 0.00 92 A 8.07 3.97 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 93 R 8.24 3.91 0.00 2.02 2.00 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 94 I 7.62 3.70 2.05 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 1.72 0.96 0.94 0.00 0.00 95 H 8.60 4.15 0.00 3.30 3.47 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.10 3.96 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 97 Q 7.98 4.03 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 98 N 8.52 4.34 0.00 2.92 2.88 0.00 0.00 6.60 8.34 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 99 Y 8.01 3.91 0.00 3.19 3.10 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 0.00 100 L 8.08 4.39 0.00 1.92 1.88 1.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.04 3.97 0.00 1.84 1.93 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.44 7.81 102 T 7.48 3.76 3.50 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 0.06 0.00 0.00 103 Y 7.51 4.56 0.00 2.61 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 0.00 104 N 8.34 4.41 0.00 2.90 2.92 0.00 0.00 6.71 7.19 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 0.00 105 E 7.88 4.84 0.00 2.14 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 2.35 2.55 0.00 106 D 8.60 4.56 0.00 2.70 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 0.00 107 I 8.02 2.89 1.50 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 0.93 -0.36 0.76 0.00 0.00 108 P 0.00 4.18 0.00 2.02 1.82 0.00 2.92 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 109 V 8.48 3.49 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 0.91 0.00 0.00 0.87 0.00 0.00 110 E 8.01 3.80 0.00 1.98 1.83 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 2.29 2.32 0.00 111 I 7.35 3.68 1.77 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 1.36 0.88 0.91 0.00 0.00 112 L 7.60 3.98 0.00 1.59 1.67 0.88 0.79 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 0.00 113 V 7.53 2.96 1.86 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 0.53 0.00 0.00 -0.16 0.00 0.00 114 R 8.31 3.82 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 115 R 7.79 3.81 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.56 0.00 116 L 7.73 4.00 0.00 1.90 1.81 0.85 0.62 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 0.00 117 S 8.27 4.24 0.00 4.03 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 0.00 118 D 8.47 4.39 0.00 2.90 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 0.00 119 I 7.56 3.83 2.04 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 1.79 0.73 0.99 0.00 0.00 120 K 8.05 4.26 0.00 2.09 1.94 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.56 7.81 121 Q 8.57 4.18 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 122 G 8.27 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 0.00 0.00 0.00 123 Y 7.87 4.02 0.00 3.15 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 0.00 124 T 7.91 4.32 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 1.14 0.00 0.00 125 Q 7.81 4.46 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 126 H 7.66 4.79 0.00 3.17 3.19 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.97 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 0.00 128 G 7.83 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 0.00 0.00 0.00 0.00 129 L 6.88 4.71 0.00 1.70 1.58 0.82 0.81 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 0.00 130 R 8.13 4.11 0.00 1.90 1.92 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 131 P 0.00 4.52 0.00 2.07 2.07 0.00 3.66 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 0.00 132 F 8.38 4.33 0.00 2.87 2.84 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 0.00 133 G 8.86 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 0.00 134 V 7.25 4.82 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 -0.32 0.00 0.00 0.77 0.00 0.00 135 S 8.42 4.61 0.00 3.70 3.62 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 0.00 136 F 8.75 5.41 0.00 2.45 1.86 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 0.00 137 I 8.30 4.50 1.88 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 0.73 0.95 0.00 0.00 138 Y 8.88 5.06 0.00 2.77 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 0.00 139 A 9.37 4.73 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 0.00 140 G 8.52 4.99 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 0.00 0.00 0.00 141 Y 8.41 4.99 0.00 2.97 2.77 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 0.00 142 D 7.47 4.65 0.00 2.60 2.43 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 0.00 143 D 8.50 4.49 0.00 2.82 2.84 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 0.00 144 R 8.32 4.09 0.00 1.65 1.84 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00