NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5111 8.1933 115.4072 57.7719 64.9519 175.0710 2 D 4.2772 8.1104 120.8366 55.9043 40.8808 175.3702 3 K 4.6196 8.7309 118.8489 55.9079 33.6440 175.1138 4 I 4.7954 7.3182 118.6036 59.5879 40.3778 175.0170 5 I 4.3789 8.4544 126.4442 60.0296 39.2454 174.0265 6 H 5.1029 8.8356 127.1050 54.9188 30.6428 174.0722 7 L 4.8572 8.5621 126.0461 53.3643 43.9795 175.6970 8 T 4.9882 8.7987 109.5583 57.9031 72.0113 174.8145 9 D 4.5044 8.7368 122.5140 56.8631 40.3784 178.9231 10 D 4.3726 7.9889 118.6758 57.3770 41.4420 178.3556 11 S 4.3172 7.9889 112.7819 59.7544 63.0138 175.7619 12 F 3.8004 7.9639 125.5297 61.3899 39.1289 176.2011 13 D 4.3772 8.2095 117.1118 57.8974 40.8710 178.1257 14 T 3.8370 7.6912 114.1875 66.8455 68.7851 176.3803 15 D 4.3835 8.0173 119.9590 56.5310 40.9128 176.7674 16 V 3.8354 7.2834 115.8583 63.9813 33.1228 177.2172 17 L 3.8906 7.2453 118.4179 57.6823 41.7677 178.8618 18 K 4.1412 8.2017 115.6689 57.1614 32.5625 177.2706 19 A 4.0116 7.0252 122.0839 52.4565 18.7301 176.2430 20 D 4.7632 8.6519 120.0480 52.6659 41.3226 177.1133 21 G 3.9053 8.7214 107.7443 44.3254 0.0000 172.4690 22 A 4.3773 8.3614 120.5076 51.9906 19.7262 176.5664 23 I 4.7223 8.9154 123.5874 59.3806 40.4547 174.4601 24 L 4.9712 8.9664 130.7663 53.8977 43.3395 175.1083 25 V 4.7631 9.0242 127.5283 61.2204 34.1372 173.8642 26 D 5.0695 9.1650 128.4453 52.9224 42.1801 175.0353 27 F 5.1025 9.1560 127.0155 56.4263 40.5092 175.3919 28 W 5.4515 9.3652 120.8159 55.3818 32.1755 173.1722 29 A 4.2863 8.6637 119.9083 50.2221 21.5950 176.2619 30 E 3.7896 8.6153 119.8383 59.0812 29.5137 179.3271 31 W 4.9090 7.7867 115.7977 56.9851 29.8534 177.3333 32 C 4.8650 8.1420 119.7835 54.9367 38.6863 173.2451 33 V 3.5462 8.3433 129.8291 64.8338 30.5985 178.2044 34 W 4.5283 8.1481 118.9701 59.5617 28.7035 179.0434 35 C 4.4732 8.3251 116.3325 60.1457 39.5790 176.1498 36 K 3.6509 7.7198 118.3756 59.3202 31.6660 178.7370 37 M 4.2394 7.8848 117.4675 57.3413 32.5048 177.1730 38 I 4.2048 7.5011 111.2448 61.2562 38.1617 177.1868 39 A 3.8324 7.2051 122.5950 55.1869 18.5378 177.5548 40 P 4.3262 0.0000 0.0000 65.4983 31.5068 178.8944 41 I 4.1388 7.5038 119.7033 63.9035 37.0733 178.2723 42 L 4.0230 8.3414 120.2205 57.5937 41.3691 179.3881 43 D 4.2978 7.8307 118.6213 57.4547 40.7018 178.5598 44 E 3.9859 8.1224 118.4596 59.5525 29.5506 179.3949 45 I 3.8766 7.8484 119.5661 64.2293 36.7918 178.1277 46 A 4.0215 7.8418 121.2412 55.4926 17.9890 179.2633 47 D 4.4814 7.8453 114.8631 57.5357 41.4029 177.9574 48 E 4.1668 8.3586 117.8835 58.2589 29.6673 177.6976 49 Y 4.5710 8.3354 116.3063 56.6481 38.5646 175.2308 50 Q 4.2305 6.9824 120.1636 57.7876 29.3179 175.5372 51 G 4.2147 9.2109 109.7961 45.2046 0.0000 174.3055 52 K 4.4133 7.7355 116.5175 56.8655 33.6180 176.0563 53 L 5.0180 8.3204 119.0090 53.6546 45.6892 175.5605 54 T 4.6077 8.5882 120.8432 61.7727 71.4478 173.1218 55 V 4.7091 8.3823 126.1437 61.3557 33.5725 174.2914 56 A 5.2202 9.0773 128.7810 50.2346 23.0102 174.7194 57 K 5.1105 9.1132 119.2843 54.5889 36.2483 175.4864 58 L 4.7716 9.1551 124.1940 53.5609 45.4488 175.0787 59 N 4.2351 8.7464 126.9485 52.1923 38.8687 175.3401 60 I 4.6836 8.0279 121.0946 62.9562 37.5766 177.5054 61 D 4.3860 8.6281 123.8779 56.9113 40.7017 177.0993 62 Q 4.4982 7.8809 113.7407 55.9286 28.7475 176.3891 63 N 5.2499 7.5105 116.4711 52.3085 40.1665 172.6039 64 P 4.5954 0.0000 0.0000 62.9054 32.3120 177.6509 65 G 3.9752 8.0751 106.7539 46.2998 0.0000 175.3349 66 T 3.8720 8.2386 116.8599 66.8649 68.8354 176.4669 67 A 3.8847 8.2046 122.5745 55.1040 18.3585 177.3836 68 P 4.0931 0.0000 0.0000 66.0198 31.2207 178.9036 69 K 3.7687 7.6743 115.4227 58.8406 31.9034 177.9064 70 Y 4.5624 8.0928 114.7004 57.0287 38.1762 176.2493 71 G 3.7923 7.6165 107.7193 45.8189 0.0000 173.8202 72 I 3.5346 7.6454 120.0878 61.6847 37.1209 175.5246 73 R 4.2888 8.5434 125.7443 57.5176 31.0701 175.7412 74 G 4.2196 7.5405 103.7694 44.5327 0.0000 171.4807 75 I 4.8034 7.9548 112.3430 57.8526 40.5189 173.5621 76 P 4.9515 0.0000 0.0000 63.2648 33.1434 175.0013 77 T 5.0192 8.5911 116.3943 61.8765 72.7161 172.7610 78 L 5.3226 8.9490 125.7921 53.0087 44.5589 175.2300 79 L 5.0178 9.2124 124.2035 52.8703 44.4795 175.1637 80 L 5.0001 8.9676 126.8747 53.8088 43.4175 175.1638 81 F 5.2215 9.4419 126.0948 56.3932 41.8490 175.7267 82 K 4.5995 9.2810 121.1562 55.6005 36.4925 176.0432 83 N 3.9824 9.9379 125.0755 54.7206 37.3473 174.4640 84 G 4.0731 8.6171 100.7009 45.7508 0.0000 173.6025 85 E 4.8945 8.1380 118.2409 53.9247 33.1238 175.3289 86 V 3.4846 8.4056 122.0319 62.6933 32.1358 175.4159 87 A 4.5633 9.0296 129.5213 53.4408 20.4030 176.6411 88 A 4.7537 7.4892 114.6147 51.4511 22.6374 175.4650 89 T 5.2695 8.4731 108.3428 60.2220 72.4945 173.2260 90 K 4.3724 8.8610 123.5064 54.8876 35.6427 174.8536 91 V 4.1809 8.5037 127.6773 62.7154 32.5406 176.7169 92 G 3.8567 8.9456 112.5441 44.8908 0.0000 172.8476 93 A 4.0394 7.6156 121.6430 52.1623 18.8147 176.6720 94 L 4.4762 7.7064 119.2874 53.4744 43.4085 175.6378 95 S 4.5503 8.7957 115.4385 57.1490 65.5978 175.0962 96 K 4.0446 8.4911 121.7257 59.5934 31.9243 178.6529 97 G 3.6770 8.1454 105.5546 47.8680 0.0000 175.5800 98 Q 4.0217 7.9610 120.0550 58.6397 28.8134 178.1546 99 L 3.9506 8.2018 121.7633 58.0087 42.0268 178.7271 100 K 3.9630 8.2860 119.5881 59.8070 32.1540 178.3113 101 E 3.9979 8.0446 118.1126 59.4616 28.9277 179.1562 102 F 4.1000 8.3945 120.4368 61.2874 38.6482 177.1845 103 L 3.6229 8.0752 118.3773 58.0311 41.2562 179.1919 104 D 5.2248 8.2749 117.3740 57.3505 40.8068 178.4369 105 A 4.1514 7.7898 119.5324 53.6787 18.5521 177.6283 106 N 4.6010 6.9910 113.2018 53.9124 40.5502 175.8249 107 L 3.9533 9.1346 118.5372 54.3797 42.0572 176.9880 108 A 4.1568 8.7162 125.4547 52.6716 18.2202 176.9015 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 S 8.19 4.51 0.00 3.99 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 2 D 8.11 4.28 0.00 2.74 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 3 K 8.73 4.62 0.00 1.69 1.78 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.48 7.81 4 I 7.32 4.80 1.84 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 1.19 0.82 0.86 0.00 0.00 5 I 8.45 4.38 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.87 0.00 0.00 6 H 8.84 5.10 0.00 3.14 3.24 0.00 5.90 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 7 L 8.56 4.86 0.00 1.62 1.60 0.85 0.62 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 8 T 8.80 4.99 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 1.12 0.00 0.00 9 D 8.74 4.50 0.00 2.72 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 10 D 7.99 4.37 0.00 2.64 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 11 S 7.99 4.32 0.00 4.24 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 12 F 7.96 3.80 0.00 3.34 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 13 D 8.21 4.38 0.00 2.92 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 14 T 7.69 3.84 4.33 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 1.17 0.00 0.00 15 D 8.02 4.38 0.00 2.53 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 16 V 7.28 3.84 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 0.00 0.00 -0.18 0.00 0.00 -0.07 0.00 0.00 17 L 7.25 3.89 0.00 1.81 1.76 1.24 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.20 4.14 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 A 7.03 4.01 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 20 D 8.65 4.76 0.00 2.75 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 21 G 8.72 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 22 A 8.36 4.38 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 23 I 8.92 4.72 1.87 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 1.30 0.81 0.86 0.00 0.00 24 L 8.97 4.97 0.00 1.76 1.54 1.03 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 25 V 9.02 4.76 2.31 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 0.60 0.00 0.00 0.89 0.00 0.00 26 D 9.16 5.07 0.00 2.79 2.53 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 27 F 9.16 5.10 0.00 3.39 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 28 W 9.37 5.45 0.00 3.59 3.40 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 29 A 8.66 4.29 1.13 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 0.00 0.00 30 E 8.62 3.79 0.00 1.74 1.46 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 1.47 1.76 0.00 31 W 7.79 4.91 0.00 3.37 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 32 C 8.14 4.87 0.00 3.13 3.36 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 0.00 0.00 0.00 0.00 33 V 8.34 3.55 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 0.47 0.00 0.00 0.67 0.00 0.00 34 W 8.15 4.53 0.00 3.44 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 35 C 8.33 4.47 0.00 3.43 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 36 K 7.72 3.65 0.00 1.84 1.84 0.00 1.94 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.50 7.81 37 M 7.88 4.24 0.00 2.35 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 2.68 2.78 0.00 38 I 7.50 4.20 1.86 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 1.72 1.17 0.94 0.00 0.00 39 A 7.21 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.33 0.00 2.08 2.08 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 41 I 7.50 4.14 2.02 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 1.67 1.46 0.91 0.00 0.00 42 L 8.34 4.02 0.00 1.76 1.65 0.81 0.89 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 43 D 7.83 4.30 0.00 2.93 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 44 E 8.12 3.99 0.00 2.04 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 2.55 2.52 0.00 45 I 7.85 3.88 2.02 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 1.47 0.57 0.80 0.00 0.00 46 A 7.84 4.02 1.47 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 0.00 0.00 47 D 7.85 4.48 0.00 2.70 2.86 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 48 E 8.36 4.17 0.00 2.18 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 2.32 2.45 0.00 49 Y 8.34 4.57 0.00 3.02 2.96 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 0.00 0.00 0.00 50 Q 6.98 4.23 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 51 G 9.21 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 0.00 0.00 0.00 0.00 52 K 7.74 4.41 0.00 2.06 1.97 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 53 L 8.32 5.02 0.00 1.60 1.72 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.59 4.61 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 1.17 0.00 0.00 55 V 8.38 4.71 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 0.94 0.00 0.00 0.92 0.00 0.00 56 A 9.08 5.22 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 0.00 0.00 0.00 0.00 0.00 57 K 9.11 5.11 0.00 1.94 1.65 0.00 1.45 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.30 1.29 7.81 58 L 9.16 4.77 0.00 1.53 1.07 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.75 4.24 0.00 2.09 2.43 0.00 0.00 6.90 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 60 I 8.03 4.68 1.90 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 1.39 0.57 1.09 0.00 0.00 61 D 8.63 4.39 0.00 2.67 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 62 Q 7.88 4.50 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 63 N 7.51 5.25 0.00 2.83 2.98 0.00 0.00 7.35 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 64 P 0.00 4.60 0.00 2.15 2.15 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 65 G 8.08 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 0.00 0.00 0.00 66 T 8.24 3.87 4.26 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 0.59 0.00 0.00 67 A 8.20 3.88 1.32 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 0.00 0.00 0.00 68 P 0.00 4.09 0.00 2.10 2.10 0.00 3.49 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 2.24 2.18 0.00 69 K 7.67 3.77 0.00 1.16 1.36 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.63 7.81 70 Y 8.09 4.56 0.00 2.78 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 71 G 7.62 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 72 I 7.65 3.53 1.71 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.12 0.79 0.00 0.00 73 R 8.54 4.29 0.00 1.71 1.92 0.00 3.30 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 74 G 7.54 4.22 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 0.00 75 I 7.95 4.80 2.04 0.00 0.00 1.00 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 0.90 1.07 0.00 0.00 76 P 0.00 4.95 0.00 2.22 2.36 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 77 T 8.59 5.02 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 1.20 0.00 0.00 78 L 8.95 5.32 0.00 1.45 1.58 0.78 0.70 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 79 L 9.21 5.02 0.00 1.97 1.37 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.97 5.00 0.00 1.83 1.54 0.96 0.59 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 81 F 9.44 5.22 0.00 2.92 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 82 K 9.28 4.60 0.00 1.66 1.69 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 83 N 9.94 3.98 0.00 2.83 2.87 0.00 0.00 7.25 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 84 G 8.62 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 85 E 8.14 4.89 0.00 2.03 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 2.45 2.41 0.00 86 V 8.41 3.48 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 0.52 0.00 0.00 -0.20 0.00 0.00 87 A 9.03 4.56 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 88 A 7.49 4.75 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 89 T 8.47 5.27 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 1.19 0.00 0.00 90 K 8.86 4.37 0.00 0.79 1.20 0.00 1.30 0.00 0.00 1.39 0.00 0.00 2.63 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.02 0.76 7.81 91 V 8.50 4.18 2.03 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 0.79 0.00 0.00 0.89 0.00 0.00 92 G 8.95 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 93 A 7.62 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.71 4.48 0.00 1.80 1.47 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.80 4.55 0.00 4.08 4.05 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 0.00 0.00 0.00 96 K 8.49 4.04 0.00 1.87 1.86 0.00 1.78 0.00 0.00 2.02 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.54 7.81 97 G 8.15 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 0.00 0.00 0.00 98 Q 7.96 4.02 0.00 2.32 2.13 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 2.38 2.35 0.00 99 L 8.20 3.95 0.00 1.71 1.79 0.94 0.46 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 0.00 100 K 8.29 3.96 0.00 2.06 2.05 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.80 7.81 101 E 8.04 4.00 0.00 2.30 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 2.37 2.53 0.00 102 F 8.39 4.10 0.00 3.20 3.28 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 0.00 103 L 8.08 3.62 0.00 1.71 1.41 0.22 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.27 5.22 0.00 2.82 2.79 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 0.00 105 A 7.79 4.15 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 0.00 106 N 6.99 4.60 0.00 2.38 2.68 0.00 0.00 6.99 7.73 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 0.00 107 L 9.13 3.95 0.00 1.71 1.67 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.72 4.16 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