NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 I 4.1141 8.0093 114.2685 60.5831 40.3124 176.1499 12 N 4.4909 7.7527 121.4479 50.8334 35.9308 174.1084 13 L 3.8802 8.4434 126.3050 58.3917 43.1929 179.6452 14 D 4.2891 8.0194 118.5636 57.5156 40.8569 178.4288 15 E 3.9346 8.0000 119.1087 59.1163 29.4979 178.6830 16 I 3.5283 7.2156 118.6743 64.3546 37.2089 178.1595 17 L 3.9264 7.8253 118.4050 57.1739 41.5100 178.8318 18 A 4.4270 7.7894 119.7234 52.7205 18.8429 177.2529 19 N 4.7211 7.6858 115.0890 51.4006 39.8362 175.2184 20 K 3.8243 8.6308 127.6777 59.6368 32.2165 178.3061 21 R 3.9507 8.0581 117.6366 59.4733 29.9705 178.8738 22 L 4.1495 7.8644 117.9471 57.6895 41.7448 178.9411 23 L 3.9678 8.2041 120.6081 58.3332 41.9014 179.2454 24 V 3.6366 8.3172 118.2512 65.9150 31.4582 177.8464 25 A 3.9684 7.9795 120.1137 55.3883 18.1253 179.2967 26 Y 3.7436 8.4438 115.4240 61.0837 37.9039 178.7477 27 V 3.6655 8.3677 119.6633 66.1117 31.5407 177.8150 28 N 4.3633 8.5541 116.6092 56.2896 38.3514 176.5149 29 C 4.4980 8.2051 121.1689 59.2843 43.5618 175.8534 30 V 3.5856 7.8603 118.5927 66.1358 31.2202 177.0501 31 M 4.3959 8.3815 115.6294 54.6887 32.4443 175.7506 32 E 3.8737 8.2327 118.0522 57.6513 27.5010 175.0511 33 R 4.6848 8.3142 109.9117 55.2493 30.7834 174.8609 34 G 4.0153 7.6952 106.8451 45.5752 0.0000 174.3025 35 K 4.0615 8.5829 122.5975 54.5545 32.3187 178.0756 36 C 4.7257 8.4797 120.6020 54.7729 41.0911 174.7696 37 S 4.5200 8.0632 119.5967 56.7466 65.5449 173.4430 38 P 4.2060 0.0000 0.0000 65.7010 30.9349 178.5429 39 E 4.0907 8.2629 117.7593 59.2607 29.5891 178.8833 40 G 3.6079 8.0650 105.7560 47.8639 0.0000 175.8134 41 K 4.1152 8.5746 123.6829 59.6302 31.5104 180.0872 42 E 3.9393 8.0603 118.6024 60.9730 29.6607 181.6645 43 L 4.1794 8.1468 121.9727 57.7505 42.1929 178.8549 44 K 3.8083 8.4389 119.9950 59.4741 32.1179 178.0298 45 E 3.7822 8.0556 119.4291 59.9122 29.3899 178.6192 46 H 4.3752 7.6684 115.1228 58.3301 28.8786 177.5995 47 L 3.8898 8.2005 122.7585 58.0288 41.8586 178.7861 48 Q 3.5558 8.4171 119.9710 58.9903 28.8531 177.6259 49 D 4.2011 7.9945 118.9062 57.1129 41.0696 178.0692 50 A 3.9745 8.1090 121.5703 55.3910 18.2062 179.7066 51 I 4.1644 7.6093 116.8621 64.0922 37.3599 177.7019 52 E 4.6493 8.2665 120.9096 57.2390 29.8095 176.6232 53 N 4.8773 7.7019 114.6386 52.3932 40.2355 174.6873 54 G 2.1843 6.2207 103.0819 46.1800 0.0000 173.5821 55 C 4.2240 7.7113 112.8802 56.7633 37.9607 175.5115 56 K 3.6695 7.4813 120.3459 59.2123 31.8608 177.1351 57 K 4.4525 8.3807 114.8372 56.1433 32.5087 175.8920 58 C 4.4420 7.7890 117.5374 56.6610 41.7503 174.2753 59 T 4.2684 7.9940 113.7034 60.7171 71.1245 175.3062 60 E 3.9169 8.5714 120.4806 59.6938 29.5038 178.3533 61 N 4.3792 8.0406 115.9205 56.3892 38.5895 177.3349 62 Q 3.9781 8.0204 119.3895 58.6086 28.6428 178.2985 63 E 3.9199 8.2743 120.6053 59.2263 29.7438 179.0347 64 K 4.1507 8.3038 118.7227 59.1918 32.0279 179.7202 65 G 3.5183 8.1020 106.0508 47.6868 0.0000 175.6770 66 A 3.9436 8.2179 123.8860 55.0052 18.4057 179.1184 67 Y 3.7142 8.2450 118.2292 60.5326 38.8215 178.1387 68 R 3.6924 8.0345 119.7464 59.2797 30.1132 178.7253 69 V 3.4295 7.5991 117.9267 65.9372 31.4537 177.9653 70 I 3.3649 7.6975 119.9166 64.3388 36.8315 178.0745 71 E 3.4553 7.6463 120.2858 59.1567 29.2670 178.2699 72 H 3.9512 7.9320 118.3657 59.2055 29.8304 177.3217 73 L 4.0232 7.9817 120.8816 57.8359 41.2292 179.5527 74 I 3.4665 7.3684 119.1282 64.0437 36.9964 178.1167 75 K 4.0425 7.9167 119.6945 58.7295 32.1811 177.7494 76 N 4.8630 8.2833 114.4634 52.9015 41.6890 174.8133 77 E 4.7532 8.2511 119.5777 53.8378 30.5425 176.0878 78 I 3.8375 7.7808 120.9747 64.4296 38.4397 176.4997 79 E 4.0185 8.2246 118.9399 59.4272 29.2643 179.2266 80 I 3.7796 7.7811 119.3959 64.0797 37.3104 177.9833 81 W 4.4542 8.2913 129.1856 60.8037 30.5219 178.2532 82 R 3.7672 8.4462 118.1316 59.1253 29.4435 178.9448 83 E 3.9433 8.1650 118.5285 59.2459 29.3812 179.3115 84 L 4.0719 8.2355 119.6809 58.1245 41.6510 179.7631 85 T 3.7300 7.6066 109.3916 64.4148 68.4731 176.6364 86 A 3.8671 7.6537 123.0057 54.6507 18.4117 179.2645 87 K 3.7806 7.7240 117.2617 59.2732 32.4970 177.9461 88 Y 4.7345 8.1675 115.5745 57.9498 39.9198 175.2786 89 D 5.0169 8.3296 120.1041 52.1288 41.4774 174.3583 90 P 4.3068 0.0000 0.0000 66.1671 31.8949 178.4842 91 T 3.8595 7.8631 114.8054 64.6239 68.6892 175.5558 92 G 3.9982 8.4538 108.8459 45.9465 0.0000 175.0061 93 N 4.2101 7.8718 118.2049 55.8402 38.5038 177.2511 94 W 4.2853 7.9814 119.9972 59.4076 29.2234 178.2236 95 R 4.4120 8.9648 119.3212 59.7896 29.4239 178.4053 96 K 4.0169 8.3377 119.1759 59.4317 31.9916 178.8428 97 K 3.9116 7.7157 118.9105 59.7588 31.9911 178.9965 98 Y 4.4611 7.7832 116.9563 61.2062 37.7406 178.2568 99 E 4.1139 8.9175 119.9547 59.4829 29.5848 179.1135 100 D 4.3789 8.5711 119.4056 57.1738 40.6983 178.8312 101 R 3.8735 7.9357 119.2095 59.3894 30.1735 178.4403 102 A 4.0853 8.1841 120.6124 55.2329 18.3944 179.8190 103 K 4.5505 8.7644 118.4351 59.0057 31.8949 179.4529 104 A 4.1148 8.1251 119.8933 54.1598 18.2874 178.3953 105 A 4.4881 7.4295 117.8791 51.8484 19.2258 178.1383 106 G 3.9093 8.0684 107.3110 45.5864 0.0000 174.3151 107 I 3.9260 7.7681 122.1090 60.9554 37.6653 175.3702 108 V 4.2940 8.2413 118.8194 60.0914 32.6717 175.6522 109 I 4.3573 8.0806 125.5227 58.5234 37.8395 173.6628 110 P 4.4253 0.0000 0.0000 62.3820 31.8731 176.4523 111 E 4.2158 8.4847 120.8419 55.9742 30.3060 176.5181 112 E 4.1331 8.6408 121.1470 56.6106 29.7293 176.5334 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 11 I 8.01 4.11 1.86 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 1.47 1.12 0.92 0.00 0.00 12 N 7.75 4.49 0.00 2.91 2.99 0.00 0.00 6.83 5.79 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 13 L 8.44 3.88 0.00 1.63 1.66 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.02 4.29 0.00 2.64 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 15 E 8.00 3.93 0.00 1.99 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 2.53 0.00 16 I 7.22 3.53 1.58 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.02 0.48 0.00 0.00 17 L 7.83 3.93 0.00 1.48 1.44 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.79 4.43 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 19 N 7.69 4.72 0.00 2.91 2.77 0.00 0.00 6.47 8.59 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 20 K 8.63 3.82 0.00 1.87 1.84 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 21 R 8.06 3.95 0.00 1.92 2.00 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 22 L 7.86 4.15 0.00 1.86 1.86 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.20 3.97 0.00 1.93 1.82 0.90 1.22 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 24 V 8.32 3.64 2.12 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 1.07 0.00 0.00 1.03 0.00 0.00 25 A 7.98 3.97 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 26 Y 8.44 3.74 0.00 3.22 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 27 V 8.37 3.67 2.32 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 1.16 0.00 0.00 1.03 0.00 0.00 28 N 8.55 4.36 0.00 2.91 2.85 0.00 0.00 6.66 7.99 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 29 C 8.21 4.50 0.00 3.05 3.24 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 30 V 7.86 3.59 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 0.91 0.00 0.00 1.03 0.00 0.00 31 M 8.38 4.40 0.00 2.03 2.21 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 2.68 2.90 0.00 32 E 8.23 3.87 0.00 2.16 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 2.30 2.33 0.00 33 R 8.31 4.68 0.00 1.83 1.92 0.00 3.10 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 34 G 7.70 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 0.00 0.00 0.00 35 K 8.58 4.06 0.00 1.79 1.62 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 36 C 8.48 4.73 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 37 S 8.06 4.52 0.00 3.99 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 38 P 0.00 4.21 0.00 2.18 2.14 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 39 E 8.26 4.09 0.00 2.11 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 2.60 2.46 0.00 40 G 8.07 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 0.00 0.00 0.00 41 K 8.57 4.12 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 42 E 8.06 3.94 0.00 2.01 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 2.24 2.18 0.00 43 L 8.15 4.18 0.00 1.75 1.99 0.97 0.46 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 44 K 8.44 3.81 0.00 1.90 1.98 0.00 1.82 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 45 E 8.06 3.78 0.00 2.08 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 0.00 2.15 2.27 0.00 46 H 7.67 4.38 0.00 3.21 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.20 3.89 0.00 1.77 1.62 0.89 0.77 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 48 Q 8.42 3.56 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.18 1.16 0.00 49 D 7.99 4.20 0.00 2.96 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 50 A 8.11 3.97 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 51 I 7.61 4.16 1.90 0.00 0.00 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 1.67 0.95 1.00 0.00 0.00 52 E 8.27 4.65 0.00 2.02 2.07 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 2.37 2.44 0.00 53 N 7.70 4.88 0.00 2.83 2.67 0.00 0.00 6.86 8.38 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 54 G 6.22 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 0.00 0.00 0.00 55 C 7.71 4.22 0.00 3.08 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 56 K 7.48 3.67 0.00 1.84 1.82 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.44 7.81 57 K 8.38 4.45 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 58 C 7.79 4.44 0.00 2.94 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 59 T 7.99 4.27 4.21 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 1.18 0.00 0.00 60 E 8.57 3.92 0.00 2.09 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 2.37 2.46 0.00 61 N 8.04 4.38 0.00 2.78 2.82 0.00 0.00 7.14 7.51 0.00 0.00 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 Q 8.02 3.98 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 63 E 8.27 3.92 0.00 2.14 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 2.36 2.38 0.00 64 K 8.30 4.15 0.00 2.00 1.87 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.75 7.81 65 G 8.10 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 66 A 8.22 3.94 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 67 Y 8.24 3.71 0.00 3.15 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 68 R 8.03 3.69 0.00 2.02 1.96 0.00 3.12 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 69 V 7.60 3.43 2.11 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 1.00 0.00 0.00 0.89 0.00 0.00 70 I 7.70 3.36 1.34 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.33 0.02 0.00 0.00 71 E 7.65 3.46 0.00 1.16 1.57 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 2.16 2.17 0.00 72 H 7.93 3.95 0.00 3.22 3.34 0.00 5.64 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 73 L 7.98 4.02 0.00 1.82 1.82 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.37 3.47 1.51 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.36 0.75 0.00 0.00 75 K 7.92 4.04 0.00 1.71 1.74 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 76 N 8.28 4.86 0.00 2.52 2.72 0.00 0.00 6.83 7.20 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 77 E 8.25 4.75 0.00 1.96 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 2.23 2.43 0.00 78 I 7.78 3.84 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.96 0.00 0.00 79 E 8.22 4.02 0.00 2.14 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 2.43 2.50 0.00 80 I 7.78 3.78 2.12 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 1.58 1.05 1.02 0.00 0.00 81 W 8.29 4.45 0.00 3.37 3.31 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 82 R 8.45 3.77 0.00 2.06 1.94 0.00 3.44 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.05 0.00 83 E 8.17 3.94 0.00 2.21 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 2.32 2.57 0.00 84 L 8.24 4.07 0.00 1.80 1.76 1.10 0.75 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 85 T 7.61 3.73 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 -0.20 0.00 0.00 86 A 7.65 3.87 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 87 K 7.72 3.78 0.00 1.57 1.52 0.00 1.52 0.00 0.00 1.20 0.00 0.00 3.11 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.99 7.81 88 Y 8.17 4.73 0.00 3.23 2.93 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 89 D 8.33 5.02 0.00 3.06 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.20 2.30 0.00 3.86 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 2.00 1.98 0.00 91 T 7.86 3.86 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 1.17 0.00 0.00 92 G 8.45 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 93 N 7.87 4.21 0.00 2.27 2.38 0.00 0.00 7.10 7.68 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 94 W 7.98 4.29 0.00 3.80 3.29 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 95 R 8.96 4.41 0.00 1.91 2.23 0.00 2.95 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 96 K 8.34 4.02 0.00 1.97 1.93 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.52 7.81 97 K 7.72 3.91 0.00 1.70 1.67 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.57 7.81 98 Y 7.78 4.46 0.00 3.51 3.06 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 99 E 8.92 4.11 0.00 2.16 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 0.00 2.62 3.06 0.00 100 D 8.57 4.38 0.00 2.88 2.73 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 0.00 101 R 7.94 3.87 0.00 1.94 2.19 0.00 2.21 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 102 A 8.18 4.09 1.37 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 0.00 0.00 103 K 8.76 4.55 0.00 1.83 1.89 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.51 7.81 104 A 8.13 4.11 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 0.00 105 A 7.43 4.49 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 0.00 106 G 8.07 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 0.00 107 I 7.77 3.93 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.13 0.87 0.00 0.00 108 V 8.24 4.29 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 0.72 0.00 0.00 0.93 0.00 0.00 109 I 8.08 4.36 1.92 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 1.52 0.48 1.01 0.00 0.00 110 P 0.00 4.43 0.00 2.20 2.07 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 111 E 8.48 4.22 0.00 2.00 1.94 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 2.35 2.32 0.00 112 E 8.64 4.13 0.00 1.95 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 2.31 2.33 0.00