NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3619 8.2649 123.5820 52.6904 20.6620 176.4091 15 N 4.8547 8.0228 112.1066 50.4355 39.7208 175.3861 16 C 4.2815 8.1638 120.4325 59.8409 39.3506 174.1423 17 S 4.1167 7.9875 115.5120 61.4672 62.7476 176.4457 18 I 3.7699 7.6287 122.9554 64.2411 36.6177 178.1343 19 M 4.2025 7.5379 117.0435 58.1906 32.0267 177.7471 20 I 4.0070 7.5619 120.6195 63.4556 37.4741 177.2652 21 D 4.4031 7.9797 119.0864 57.0435 41.2965 178.3102 22 E 3.9421 8.1075 120.0589 59.3418 29.6718 178.6450 23 I 3.8291 7.7271 119.3128 64.0639 37.2210 178.2503 24 I 3.7162 7.3582 120.3885 64.4213 36.5674 177.8212 25 H 3.9914 7.8149 118.9530 59.3667 29.7482 175.5696 26 H 4.6271 8.0086 113.4933 55.9362 29.0160 175.7478 27 L 4.3609 7.0493 119.1983 52.7398 41.5551 178.6185 28 K 4.6170 7.0406 117.7201 55.5111 33.9503 176.4538 29 R 4.6526 7.1766 120.6561 54.2505 32.1077 172.4873 30 P 4.4671 0.0000 0.0000 61.4776 31.8231 175.0050 31 P 4.4632 0.0000 0.0000 63.7704 32.2169 175.5696 32 N 4.9865 7.4051 116.9606 50.0291 42.9618 172.4818 33 P 4.4454 0.0000 0.0000 62.6022 31.9825 175.5325 34 L 4.9710 8.2714 122.8427 53.1279 45.0128 176.1163 35 L 4.7407 8.2097 117.9650 55.0914 41.8608 176.8649 36 D 4.6413 7.8866 118.1619 53.4030 41.4736 175.6660 37 P 4.1963 0.0000 0.0000 63.8566 31.6874 176.0390 38 N 4.3617 7.2442 117.6553 52.8897 35.5013 173.3640 39 N 4.4254 7.9493 121.3992 53.9757 41.7470 173.2520 40 L 4.6865 8.4340 121.9898 54.0115 43.1930 174.9629 41 N 4.9882 7.9036 117.2044 52.0424 41.2754 175.2066 42 S 4.1532 8.5847 113.5172 61.6586 62.6794 175.9405 43 E 4.0984 8.1125 121.6252 59.4506 29.6532 178.4301 44 D 4.4339 8.1437 118.3973 57.4724 40.9198 178.5533 45 M 4.3372 7.8490 119.2742 58.7424 32.0275 178.4752 46 D 4.5778 7.9619 118.3672 57.8693 40.6498 178.2861 47 I 3.8529 7.5627 119.9410 63.8584 37.1860 177.8505 48 L 5.0743 7.9571 123.2687 57.2448 41.7578 178.7156 49 M 4.1829 7.7891 116.8135 56.4004 32.6841 175.6572 50 E 4.0053 7.9878 119.7279 56.3222 29.8468 177.4507 51 R 3.8727 8.9410 121.7691 59.3498 29.3820 178.5497 52 N 4.3299 8.1326 115.5606 55.8380 39.1379 174.9738 53 L 4.5526 7.6446 116.4634 54.9471 42.0464 178.3724 54 R 4.5082 8.0396 121.4620 60.0069 30.0652 178.4694 55 T 4.0427 8.0526 115.3167 66.3358 68.6494 174.6046 56 P 4.3262 0.0000 0.0000 65.9352 31.2122 178.1845 57 N 4.1221 8.0999 116.0026 55.8869 38.4334 177.0401 58 L 4.3863 8.2203 121.8079 58.0332 41.9837 179.1103 59 L 4.0080 7.7845 118.6915 57.5984 41.6079 178.8048 60 A 4.0810 7.5955 118.7721 53.6670 18.6707 178.8229 61 F 4.6119 7.8289 116.2887 59.4233 39.1008 177.9849 62 V 3.8814 7.8394 117.1096 65.1246 31.5743 178.1928 63 R 4.0548 7.8359 117.7430 59.2398 30.1716 178.7707 64 A 4.0995 7.8788 120.4008 55.0334 18.4317 179.9746 65 V 3.2494 8.0246 117.1153 64.4809 31.0310 178.8303 66 K 3.9957 7.6939 118.7517 59.3736 32.1098 177.9991 67 H 4.8380 8.1044 114.0753 55.1779 29.0628 174.7548 68 L 4.5807 7.3089 125.6036 51.5927 41.8359 174.8118 69 E 3.8359 7.8709 126.7616 57.5717 30.0769 176.1476 70 N 4.3756 9.0093 121.8033 54.3700 37.4364 173.7617 71 A 4.9826 7.6833 116.7299 51.0097 20.0812 179.0457 72 S 4.3796 8.5921 116.8821 62.4085 62.8818 176.1921 73 A 4.0364 8.1003 124.3850 54.6989 17.9777 179.5630 74 I 3.7778 7.6764 118.2511 64.4004 37.1039 178.0466 75 E 4.0605 8.1565 118.5567 59.6873 28.8835 179.6045 76 S 4.1692 7.6077 115.2873 61.7382 63.2332 176.1913 77 I 3.8734 7.5716 122.9206 63.8131 36.8164 178.0259 78 L 4.0658 8.2332 119.7343 58.1346 41.5493 179.9459 79 K 3.9692 8.0296 118.1184 60.2975 32.1606 178.5098 80 N 4.6005 7.9425 115.4854 54.6766 38.9078 176.2958 81 L 4.2873 8.0672 121.4688 56.0389 42.2270 178.1000 82 L 4.0483 7.5236 118.3120 57.7840 41.5223 177.2852 83 P 4.5337 0.0000 0.0000 64.5906 31.7403 177.1078 84 C 4.6936 7.9604 116.5035 56.9164 40.0796 173.0928 85 L 4.8026 7.1301 118.6544 52.1588 43.2780 174.7775 86 P 4.6114 0.0000 0.0000 62.7460 32.4217 176.5239 87 L 4.6486 7.9089 117.8406 52.0101 42.1433 176.7262 88 A 3.9968 8.3768 124.7893 55.0647 18.6908 180.3617 89 T 4.3843 7.2698 107.8807 67.3239 68.2919 176.4213 90 A 3.6622 7.1103 120.1052 51.4997 15.1477 177.0511 91 A 4.3164 7.1311 120.6158 50.3108 22.0670 175.4744 92 P 4.7306 0.0000 0.0000 62.7198 33.3029 174.9364 93 T 4.6890 8.2977 104.4261 62.6658 73.9914 173.3817 94 R 4.6686 7.5211 115.3771 53.2883 32.7339 174.2574 95 H 4.4183 8.3497 115.1822 55.2969 29.3222 175.0610 96 P 4.5466 0.0000 0.0000 62.0903 33.2708 174.8477 97 I 3.8381 7.7828 118.4273 61.9712 38.8388 175.2319 98 H 4.4393 8.0632 120.3922 55.6999 31.1051 173.3222 99 I 3.9023 7.6870 129.9750 60.0074 39.8441 173.2766 100 K 4.7146 7.4756 121.8973 55.5599 34.4017 176.4008 101 D 4.4699 8.8316 115.9711 56.8951 40.9853 175.1423 102 G 3.5522 6.7029 106.9813 46.3457 0.0000 172.8152 103 D 4.9161 8.1295 120.1841 52.0967 42.8539 178.2602 104 W 4.7456 8.7509 123.0935 59.5712 28.8462 178.5253 105 N 4.5254 8.3703 116.7869 56.1586 37.9581 176.6253 106 E 3.9208 8.3054 120.6602 59.4915 29.9186 178.8489 107 F 4.5045 8.4184 116.4576 59.7630 39.0173 177.5062 108 R 4.1327 8.4238 118.9449 59.3934 29.8282 179.0700 109 R 4.0178 8.0892 117.4095 59.3538 30.2483 179.2891 110 K 4.2309 8.1679 118.2438 59.6133 32.1627 179.2584 111 L 3.8430 8.2935 120.4070 58.4741 42.0745 178.8048 112 T 3.8803 8.1038 115.7268 67.0437 68.6093 176.2495 113 F 4.5366 8.3587 122.2607 61.6942 39.5075 175.5878 114 Y 4.0841 8.5752 120.1070 58.3524 38.0842 177.0692 115 L 3.5154 7.4004 120.2722 57.9876 42.5779 179.3376 116 K 3.8335 7.8238 118.8478 59.8132 32.4148 178.8334 117 T 3.7850 7.5977 112.9420 65.2482 67.0731 175.0679 118 L 3.8146 7.5468 122.8312 57.7317 40.7618 178.2675 119 E 3.9803 8.2006 119.3835 58.7517 29.4370 179.1697 120 N 4.4032 7.7767 115.6661 56.1242 38.8447 176.3800 121 A 4.3640 7.4695 118.1254 52.6765 19.1885 178.4778 122 Q 4.0507 7.8406 118.4029 58.5386 29.1871 174.7067 123 A 4.3032 7.2877 119.2823 49.1337 21.9036 173.7340 124 Q 3.1651 8.4670 129.4056 55.9435 27.2612 173.8641 125 Q 3.8259 8.4897 123.5086 56.3250 30.0440 173.1890 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 14 A 8.26 4.36 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 15 N 8.02 4.85 0.00 2.79 2.71 0.00 0.00 6.47 6.77 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 16 C 8.16 4.28 0.00 2.98 3.08 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 17 S 7.99 4.12 0.00 4.07 4.09 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 18 I 7.63 3.77 1.98 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 1.51 0.96 0.90 0.00 0.00 19 M 7.54 4.20 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 20 I 7.56 4.01 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.82 0.00 0.00 21 D 7.98 4.40 0.00 2.97 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 22 E 8.11 3.94 0.00 2.20 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 2.26 2.30 0.00 23 I 7.73 3.83 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.92 0.00 0.00 24 I 7.36 3.72 2.03 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 1.56 1.40 0.89 0.00 0.00 25 H 7.81 3.99 0.00 3.06 3.34 0.00 5.94 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 26 H 8.01 4.63 0.00 3.11 3.10 0.00 5.68 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 27 L 7.05 4.36 0.00 1.74 1.54 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.04 4.62 0.00 1.58 1.58 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.41 7.81 29 R 7.18 4.65 0.00 1.65 1.75 0.00 3.19 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 30 P 0.00 4.47 0.00 2.20 2.09 0.00 3.75 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 1.99 1.95 0.00 31 P 0.00 4.46 0.00 2.24 2.14 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 32 N 7.41 4.99 0.00 2.70 2.72 0.00 0.00 6.93 8.03 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 33 P 0.00 4.45 0.00 2.19 2.08 0.00 3.72 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 1.99 1.99 0.00 34 L 8.27 4.97 0.00 1.63 1.64 0.95 1.01 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 35 L 8.21 4.74 0.00 1.59 1.65 0.93 1.01 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 36 D 7.89 4.64 0.00 2.80 2.59 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 0.00 0.00 0.00 0.00 37 P 0.00 4.20 0.00 2.15 2.15 0.00 3.78 0.00 0.00 3.70 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 38 N 7.24 4.36 0.00 2.84 2.95 0.00 0.00 6.77 7.96 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 39 N 7.95 4.43 0.00 2.63 2.67 0.00 0.00 7.21 7.79 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 40 L 8.43 4.69 0.00 1.81 1.66 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.90 4.99 0.00 2.87 2.75 0.00 0.00 7.61 7.35 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 42 S 8.58 4.15 0.00 3.88 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 43 E 8.11 4.10 0.00 2.04 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 2.39 2.41 0.00 44 D 8.14 4.43 0.00 3.07 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 M 7.85 4.34 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 46 D 7.96 4.58 0.00 2.92 2.92 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 47 I 7.56 3.85 2.15 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 1.55 0.74 0.91 0.00 0.00 48 L 7.96 5.07 0.00 1.80 1.93 1.28 1.44 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 49 M 7.79 4.18 0.00 2.18 2.51 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 50 E 7.99 4.01 0.00 2.41 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 2.36 2.32 0.00 51 R 8.94 3.87 0.00 1.97 2.19 0.00 2.97 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 52 N 8.13 4.33 0.00 2.72 2.90 0.00 0.00 6.97 7.85 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 53 L 7.64 4.55 0.00 1.74 1.70 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.04 4.51 0.00 1.92 1.98 0.00 2.21 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 1.41 1.79 0.00 55 T 8.05 4.04 4.30 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 1.26 0.00 0.00 56 P 0.00 4.33 0.00 2.26 2.33 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 57 N 8.10 4.12 0.00 3.06 2.66 0.00 0.00 6.54 7.36 0.00 0.00 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 L 8.22 4.39 0.00 2.01 1.85 1.16 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.78 4.01 0.00 1.96 1.66 0.95 0.48 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 60 A 7.60 4.08 0.95 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 0.00 0.00 61 F 7.83 4.61 0.00 3.24 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 62 V 7.84 3.88 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 0.96 0.00 0.00 1.06 0.00 0.00 63 R 7.84 4.05 0.00 1.89 1.90 0.00 3.30 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 64 A 7.88 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.25 2.20 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 0.92 0.00 0.00 0.75 0.00 0.00 66 K 7.69 4.00 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.53 7.81 67 H 8.10 4.84 0.00 3.21 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.31 4.58 0.00 1.17 0.89 -2.39 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.87 3.84 0.00 1.90 1.80 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 2.28 2.28 0.00 70 N 9.01 4.38 0.00 2.99 3.18 0.00 0.00 6.85 8.00 0.00 0.00 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 A 7.68 4.98 0.94 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 0.00 0.00 72 S 8.59 4.38 0.00 4.11 4.12 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 73 A 8.10 4.04 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 74 I 7.68 3.78 2.23 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.75 1.05 0.00 0.00 75 E 8.16 4.06 0.00 2.23 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 2.43 2.38 0.00 76 S 7.61 4.17 0.00 4.06 3.98 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 77 I 7.57 3.87 2.01 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 1.80 1.30 0.97 0.00 0.00 78 L 8.23 4.07 0.00 1.80 1.88 1.04 0.99 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 79 K 8.03 3.97 0.00 2.05 2.21 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.52 7.81 80 N 7.94 4.60 0.00 3.06 2.93 0.00 0.00 7.20 7.81 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 81 L 8.07 4.29 0.00 1.99 1.74 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.52 4.05 0.00 1.96 1.77 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.53 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 84 C 7.96 4.69 0.00 3.15 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 85 L 7.13 4.80 0.00 1.68 1.56 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.61 0.00 2.17 2.03 0.00 3.68 0.00 0.00 3.63 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 87 L 7.91 4.65 0.00 1.67 1.58 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.38 4.00 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 89 T 7.27 4.38 4.25 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 1.26 0.00 0.00 90 A 7.11 3.66 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 91 A 7.13 4.32 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 92 P 0.00 4.73 0.00 2.20 2.12 0.00 3.77 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 1.99 1.96 0.00 93 T 8.30 4.69 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 94 R 7.52 4.67 0.00 1.85 1.89 0.00 3.06 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 95 H 8.35 4.42 0.00 3.13 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.55 0.00 2.08 2.07 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 97 I 7.78 3.84 1.67 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 0.61 0.25 0.00 0.00 98 H 8.06 4.44 0.00 3.00 3.07 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.69 3.90 1.50 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 0.94 0.73 -0.51 0.00 0.00 100 K 7.48 4.71 0.00 1.78 1.59 0.00 1.53 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 101 D 8.83 4.47 0.00 2.69 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 0.00 102 G 6.70 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 0.00 103 D 8.13 4.92 0.00 2.85 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 0.00 104 W 8.75 4.75 0.00 3.43 3.22 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 0.00 105 N 8.37 4.53 0.00 2.87 2.94 0.00 0.00 6.89 7.74 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 0.00 106 E 8.31 3.92 0.00 2.03 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 1.97 2.06 0.00 107 F 8.42 4.50 0.00 3.64 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 4.13 0.00 2.23 2.07 0.00 3.16 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 109 R 8.09 4.02 0.00 1.89 2.04 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 110 K 8.17 4.23 0.00 2.13 2.17 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.75 7.81 111 L 8.29 3.84 0.00 2.00 1.91 -0.21 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.10 3.88 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 113 F 8.36 4.54 0.00 3.06 3.34 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 0.00 114 Y 8.58 4.08 0.00 3.30 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 0.00 115 L 7.40 3.52 0.00 1.71 1.68 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.82 3.83 0.00 2.12 1.82 0.00 1.53 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.49 7.81 117 T 7.60 3.78 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 0.91 0.00 0.00 118 L 7.55 3.81 0.00 1.27 1.46 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.20 3.98 0.00 1.96 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 2.27 2.31 0.00 120 N 7.78 4.40 0.00 2.96 2.84 0.00 0.00 6.91 6.90 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 0.00 121 A 7.47 4.36 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 0.00 122 Q 7.84 4.05 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 123 A 7.29 4.30 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 0.00 124 Q 8.47 3.17 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.20 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 125 Q 8.49 3.83 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00