NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8345 8.3544 109.7367 45.8315 0.0000 172.2705 2 M 4.0756 8.0632 124.0458 54.7282 30.9473 173.8862 3 N 4.6572 8.3054 123.5536 52.0034 38.5540 174.4699 4 N 4.6128 7.9032 122.2444 52.2856 37.8798 174.7475 5 N 4.6243 7.7298 120.6887 52.2840 37.8920 173.9644 6 M 4.3387 7.6672 120.2744 53.7469 31.2911 176.3984 7 S 4.1803 8.3196 117.0649 60.2480 63.1878 174.2441 8 L 4.5741 7.4380 119.5916 53.8222 44.7132 174.6034 9 Q 4.6543 8.4836 120.0421 57.2517 32.3249 175.2390 10 D 4.8742 7.6088 114.4799 53.6806 42.3725 174.7441 11 A 4.2143 7.8316 125.0617 51.7697 19.6596 178.9910 12 E 4.2717 7.9659 118.5834 55.6723 28.6750 177.6273 13 W 5.0484 7.9130 120.2231 58.6466 37.6271 174.2839 14 Y 4.7561 7.5198 118.8347 58.4792 38.7043 174.8640 15 W 4.6739 9.0075 124.3449 58.6967 32.1287 176.0438 16 G 3.7420 8.1112 108.8261 43.3394 0.0000 173.9909 17 D 4.8066 8.2760 126.6520 51.0812 41.3228 176.4873 18 I 4.2989 7.6383 121.4836 60.0971 41.0649 172.0522 19 S 5.1037 8.0159 117.0909 57.7230 64.9410 175.4896 20 R 4.0289 8.6732 115.2971 59.3395 29.7929 179.0353 21 E 3.8729 8.0362 118.8061 59.5115 29.7643 178.5687 22 E 4.1215 7.9802 117.3965 58.7252 29.5330 179.1886 23 V 3.6402 7.7022 118.4584 65.5687 31.3595 177.0909 24 N 4.2259 8.5530 116.6942 56.7409 38.8439 176.0385 25 E 4.0976 7.6794 118.7753 59.2798 29.8368 178.7448 26 K 4.1805 7.8500 116.9687 58.9102 33.7304 178.6128 27 L 4.2380 7.7903 119.5712 52.8960 39.2745 175.5056 28 R 4.1896 6.8469 118.4646 56.5916 32.3649 176.2511 29 D 4.5080 8.3541 119.7977 57.5254 41.8545 177.9105 30 T 3.8609 7.5945 107.5970 61.9596 69.3583 173.8012 31 A 4.8043 8.0252 121.3181 51.2460 20.3514 174.8959 32 D 4.8694 7.5340 113.3711 55.4825 43.8957 175.9569 33 G 4.2081 8.4179 109.9840 46.6619 0.0000 173.3337 34 T 4.9583 7.3396 117.9332 60.9953 68.2088 174.1832 35 F 4.8570 8.4480 121.0276 56.9312 39.2230 174.5645 36 L 4.6900 8.5517 120.1870 57.7693 47.4873 175.7920 37 V 4.0880 8.6879 124.4023 63.1630 29.5116 169.6431 38 R 4.9966 8.7644 124.6442 54.4152 31.6828 175.4000 39 D 5.0727 8.1975 121.7790 52.9214 40.0478 177.3852 40 A 4.0409 8.7726 115.7405 52.6047 16.6160 178.1750 41 S 4.5619 7.4856 110.6728 59.5329 64.4227 176.4858 42 T 4.4845 7.4924 115.3937 60.0665 68.0187 172.5925 43 K 4.5271 8.2030 128.8534 57.5128 39.5999 175.8197 44 M 4.0251 7.4860 118.2518 55.9363 31.9817 175.7901 45 H 4.5199 9.2087 121.4134 54.1604 30.4004 169.8875 46 G 3.7772 7.7194 113.0015 44.0708 0.0000 170.0042 47 D 4.2920 7.5466 126.1749 54.3907 42.5263 176.1395 48 Y 4.7908 6.6796 115.0208 57.3633 40.9770 174.3249 49 T 4.4347 9.0839 117.3252 61.6702 70.9835 173.1839 50 L 4.7698 8.5587 130.0376 54.8995 40.5891 173.7408 51 T 4.5117 8.2112 118.5933 62.9907 70.0780 172.7108 52 L 5.3074 8.9344 129.1825 51.8091 45.1381 175.5330 53 R 4.5660 8.5690 126.7376 56.5577 31.4928 175.2504 54 K 4.4560 8.7829 125.1296 54.6473 35.9526 176.6430 55 G 4.0401 9.7782 115.8482 46.4182 0.0000 173.6379 56 G 3.9686 9.0256 106.5455 44.4154 0.0000 173.3905 57 N 5.0713 7.8830 118.1391 51.4036 42.7937 173.5125 58 N 4.9961 8.8640 122.4850 52.5815 37.1311 172.9196 59 K 4.3064 8.7955 128.0451 55.2330 33.7735 175.2192 60 S 4.5260 8.9116 124.4073 59.4621 62.3396 174.2758 61 I 4.5907 7.9166 128.1601 58.8815 35.3036 175.6900 62 K 4.4572 8.2707 123.3979 56.9094 33.6675 177.9204 63 I 4.3453 8.6650 122.7854 61.3532 38.9464 175.9055 64 F 4.9799 8.5745 127.6464 56.7237 37.8244 175.7597 65 H 4.1746 8.0139 121.4957 55.7577 29.9127 177.8907 66 R 3.4493 7.4924 117.4920 56.6433 29.3565 175.7403 67 D 4.4567 9.0712 119.8089 54.2347 42.3439 177.8173 68 G 4.6674 6.6620 119.1929 45.8960 0.0000 173.2374 69 K 4.4542 7.0209 123.0610 56.3077 34.2609 174.6933 70 Y 4.8297 8.3080 114.2211 56.0269 41.7779 174.2078 71 G 5.4307 7.3926 121.0726 46.3468 0.0000 171.7374 72 F 4.2862 8.1653 126.5817 60.1150 40.4442 177.2124 73 S 4.1379 8.9070 116.2126 60.2660 62.4681 173.8724 74 D 4.7938 7.6154 118.4502 51.6649 43.1059 174.8640 75 P 4.5705 0.0000 0.0000 63.8727 29.5199 176.1805 76 L 3.7484 7.8213 123.1836 56.8625 39.6825 175.6228 77 T 4.7217 9.1325 111.4952 63.6096 71.9379 176.0536 78 F 4.3430 9.1458 120.2444 59.8179 38.9388 176.3206 79 N 4.5751 8.6527 113.7436 53.7045 36.7539 174.4258 80 S 4.1767 7.8491 114.0076 57.7658 66.6960 175.4936 81 V 3.0725 7.6042 126.3941 65.9668 31.5471 177.0289 82 V 3.7424 7.8206 118.7322 66.0569 31.1986 177.4014 83 E 4.0769 7.9239 117.8884 58.3943 29.8878 176.5272 84 L 4.7422 8.2527 121.7219 54.5710 42.0619 175.9116 85 I 4.1152 8.0485 120.8328 60.8412 44.5120 174.6881 86 N 4.2073 7.6042 117.2130 57.3872 38.0829 176.3022 87 H 4.1112 8.3726 119.3430 59.5338 30.3996 176.4743 88 Y 4.3197 8.0356 117.4687 60.1010 38.3415 177.9655 89 R 4.6907 8.2995 117.5809 58.1358 29.6279 176.2306 90 N 4.7736 7.7463 116.5328 53.0180 38.5322 174.5913 91 E 4.6890 6.8294 117.2868 54.4223 37.4300 173.9964 92 S 4.5970 7.7049 111.8046 58.0827 66.5328 176.7754 93 L 4.4520 7.9614 125.5417 54.7722 41.9825 178.1428 94 A 4.4370 8.2307 122.1000 53.9122 18.5838 178.9681 95 Q 4.0684 7.5723 114.1260 59.1190 28.3847 176.9270 96 Y 4.0273 7.5816 119.0420 58.9429 39.2788 175.1024 97 N 4.9214 8.8025 125.2426 50.9409 41.7952 174.2900 98 P 4.7080 0.0000 0.0000 62.2997 29.8114 176.5766 99 K 4.7697 7.5277 112.2522 56.2232 34.7102 176.9379 100 L 4.5125 8.3940 119.0221 57.4143 46.5027 175.9952 101 D 4.4109 6.8713 117.5108 55.5112 38.7952 176.1719 102 V 4.1549 7.5859 120.1324 61.6353 33.7280 176.7333 103 K 4.4446 8.6627 110.8436 59.4953 33.0080 175.0173 104 L 3.7497 7.7867 110.6902 56.5181 39.7842 175.6034 105 L 4.4449 7.8961 115.4469 55.7459 41.3493 176.7776 106 Y 4.9696 7.9078 119.7199 56.4010 39.2187 172.4890 107 P 4.2151 0.0000 0.0000 62.5079 32.6836 176.0781 108 V 4.5609 7.4398 118.7899 61.6884 34.4221 175.0055 109 S 4.7717 8.4361 109.1872 58.1806 63.2319 173.9603 110 K 4.3802 8.5681 132.3772 57.4291 31.9210 174.9768 111 Y 4.3176 7.5580 122.6274 57.7211 39.0609 174.7651 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 8.35 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 0.00 0.00 0.00 2 M 8.06 4.08 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 3 N 8.31 4.66 0.00 2.75 2.76 0.00 0.00 7.35 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 4 N 7.90 4.61 0.00 2.66 2.74 0.00 0.00 7.19 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 5 N 7.73 4.62 0.00 2.70 2.72 0.00 0.00 7.30 7.64 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 6 M 7.67 4.34 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 7 S 8.32 4.18 0.00 3.80 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 8 L 7.44 4.57 0.00 1.46 1.35 0.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.48 4.65 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 10 D 7.61 4.87 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.21 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 12 E 7.97 4.27 0.00 1.18 1.53 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 2.08 2.05 0.00 13 W 7.91 5.05 0.00 3.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.52 4.76 0.00 3.24 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 15 W 9.01 4.67 0.00 3.31 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 16 G 8.11 3.74 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 0.00 0.00 0.00 17 D 8.28 4.81 0.00 2.59 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 18 I 7.64 4.30 1.22 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.45 -0.62 0.00 0.00 19 S 8.02 5.10 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.03 0.00 1.87 1.88 0.00 3.39 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 21 E 8.04 3.87 0.00 2.04 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 2.35 2.39 0.00 22 E 7.98 4.12 0.00 1.80 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 0.00 2.42 2.27 0.00 23 V 7.70 3.64 2.25 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 1.21 0.00 0.00 0.96 0.00 0.00 24 N 8.55 4.23 0.00 2.85 3.02 0.00 0.00 7.16 8.13 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 25 E 7.68 4.10 0.00 1.99 2.19 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 2.38 2.40 0.00 26 K 7.85 4.18 0.00 1.94 1.87 0.00 2.01 0.00 0.00 2.05 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.60 7.81 27 L 7.79 4.24 0.00 1.77 1.58 0.94 0.90 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 28 R 6.85 4.19 0.00 2.00 1.74 0.00 3.34 0.00 0.00 3.25 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 29 D 8.35 4.51 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.59 3.86 3.90 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 0.00 0.00 0.00 0.15 0.00 0.00 31 A 8.03 4.80 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 32 D 7.53 4.87 0.00 2.71 2.47 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 33 G 8.42 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 34 T 7.34 4.96 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 1.09 0.00 0.00 35 F 8.45 4.86 0.00 2.94 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 36 L 8.55 4.69 0.00 2.01 2.04 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.69 4.09 2.36 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 1.54 0.00 0.00 1.44 0.00 0.00 38 R 8.76 5.00 0.00 2.01 2.06 0.00 2.88 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 39 D 8.20 5.07 0.00 2.85 2.46 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 0.00 40 A 8.77 4.04 1.36 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 0.00 0.00 41 S 7.49 4.56 0.00 4.05 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 42 T 7.49 4.48 4.29 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 1.18 0.00 0.00 43 K 8.20 4.53 0.00 1.67 1.71 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.47 7.81 44 M 7.49 4.03 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 45 H 9.21 4.52 0.00 3.11 2.52 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.72 3.78 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 0.00 0.00 0.00 47 D 7.55 4.29 0.00 2.18 1.67 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 48 Y 6.68 4.79 0.00 3.19 3.30 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 49 T 9.08 4.43 4.49 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 1.30 0.00 0.00 50 L 8.56 4.77 0.00 1.96 1.94 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.21 4.51 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 1.23 0.00 0.00 52 L 8.93 5.31 0.00 1.64 1.45 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.57 4.57 0.00 1.91 1.80 0.00 3.18 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 54 K 8.78 4.46 0.00 1.66 1.65 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.51 7.81 55 G 9.78 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 56 G 9.03 3.97 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 0.00 0.00 0.00 57 N 7.88 5.07 0.00 2.75 2.60 0.00 0.00 6.90 7.45 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 58 N 8.86 5.00 0.00 2.75 2.85 0.00 0.00 5.96 7.13 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 59 K 8.80 4.31 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.43 7.81 60 S 8.91 4.53 0.00 3.84 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 61 I 7.92 4.59 1.98 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 1.51 0.81 0.84 0.00 0.00 62 K 8.27 4.46 0.00 2.08 1.96 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.53 7.81 63 I 8.66 4.35 1.96 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 1.45 1.41 1.04 0.00 0.00 64 F 8.57 4.98 0.00 1.55 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 65 H 8.01 4.17 0.00 3.08 3.20 0.00 6.30 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.49 3.45 0.00 1.21 1.38 0.00 2.96 0.00 0.00 2.99 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.00 67 D 9.07 4.46 0.00 2.60 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 68 G 6.66 4.67 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 0.00 0.00 0.00 69 K 7.02 4.45 0.00 2.14 1.89 0.00 1.49 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.43 7.81 70 Y 8.31 4.83 0.00 3.23 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 71 G 7.39 5.43 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 0.00 72 F 8.17 4.29 0.00 2.92 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 73 S 8.91 4.14 0.00 3.70 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.62 4.79 0.00 2.03 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 0.00 0.00 0.00 0.00 75 P 0.00 4.57 0.00 2.24 2.10 0.00 3.98 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 2.01 0.00 76 L 7.82 3.75 0.00 1.73 1.66 0.60 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.13 4.72 4.54 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 1.29 0.00 0.00 78 F 9.15 4.34 0.00 3.32 3.21 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 79 N 8.65 4.58 0.00 2.99 3.01 0.00 0.00 7.26 7.63 0.00 0.00 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 S 7.85 4.18 0.00 3.86 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 81 V 7.60 3.07 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 0.56 0.00 0.00 0.16 0.00 0.00 82 V 7.82 3.74 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 0.86 0.00 0.00 0.96 0.00 0.00 83 E 7.92 4.08 0.00 1.79 1.64 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 1.90 1.82 0.00 84 L 8.25 4.74 0.00 1.92 1.65 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.05 4.12 1.69 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 0.92 0.00 0.00 86 N 7.60 4.21 0.00 2.99 2.89 0.00 0.00 7.11 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 87 H 8.37 4.11 0.00 3.60 3.86 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.04 4.32 0.00 2.97 2.89 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 89 R 8.30 4.69 0.00 2.05 2.00 0.00 3.06 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 90 N 7.75 4.77 0.00 2.75 2.94 0.00 0.00 6.92 8.19 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 91 E 6.83 4.69 0.00 1.88 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 92 S 7.70 4.60 0.00 3.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.45 0.00 1.79 1.58 0.45 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.23 4.44 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 95 Q 7.57 4.07 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 96 Y 7.58 4.03 0.00 2.97 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 97 N 8.80 4.92 0.00 2.86 2.80 0.00 0.00 7.47 7.94 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 98 P 0.00 4.71 0.00 2.19 2.23 0.00 3.75 0.00 0.00 3.86 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 99 K 7.53 4.77 0.00 1.73 1.79 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.37 7.81 100 L 8.39 4.51 0.00 1.80 1.83 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 101 D 6.87 4.41 0.00 2.68 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 0.00 102 V 7.59 4.15 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 0.84 0.00 0.00 0.88 0.00 0.00 103 K 8.66 4.44 0.00 2.00 1.88 0.00 1.62 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.41 7.81 104 L 7.79 3.75 0.00 1.62 1.75 0.52 0.92 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 0.00 105 L 7.90 4.44 0.00 1.69 1.71 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.91 4.97 0.00 2.85 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 0.00 107 P 0.00 4.22 0.00 1.43 1.54 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.09 0.00 108 V 7.44 4.56 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 1.07 0.00 0.00 0.81 0.00 0.00 109 S 8.44 4.77 0.00 3.83 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 0.00 110 K 8.57 4.38 0.00 1.98 2.01 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.77 7.81 111 Y 7.56 4.32 0.00 2.86 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