NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4160 8.3044 120.3284 54.8841 33.4871 174.1671 2 E 3.9128 8.3088 120.2136 55.0179 30.2615 174.6369 3 A 4.0852 9.2582 128.8017 52.9572 19.7886 177.2733 4 L 4.1573 8.5134 120.4884 55.2256 42.3181 177.5006 5 G 3.7512 8.9800 105.1569 45.9933 0.0000 172.8090 6 A 4.4873 7.4868 116.2310 51.0372 22.0448 176.4616 7 D 4.7054 8.5716 121.8788 53.3861 42.4352 175.7169 8 V 4.5635 8.4275 123.3382 61.4786 33.8482 175.2768 9 T 4.4297 7.7929 122.1172 61.6732 68.9346 174.1239 10 Q 3.8603 8.7041 125.0251 56.8773 28.9305 177.5805 11 G 4.0448 9.0185 109.7361 46.0434 0.0000 172.6991 12 L 5.0665 8.4160 120.7206 52.8722 45.7947 175.1876 13 E 5.1337 8.7953 118.6520 53.9905 34.3301 175.4336 14 K 3.9674 8.4546 123.2647 58.3802 32.4234 177.0140 15 G 4.0858 8.9648 115.1858 45.2799 0.0000 174.0942 16 S 4.2962 8.4886 116.7148 58.7016 64.2117 173.3737 17 L 5.0991 8.4378 123.1795 53.3003 43.0335 175.6161 18 I 4.6179 8.8663 117.5055 59.0896 41.6569 174.3243 19 T 4.4708 8.9060 118.7958 63.0101 70.0423 174.5046 20 C 4.8425 8.3626 126.3637 57.3307 31.1670 173.9898 21 A 4.5157 8.5114 133.4146 49.9530 15.6090 174.6834 22 D 5.3603 7.5432 119.3264 53.7879 41.9209 176.2225 23 N 4.8572 8.3068 114.8379 52.8931 37.3945 176.5677 24 T 3.8091 7.9543 110.6404 63.8292 68.8631 175.0567 25 G 3.8863 8.1282 109.4676 44.9285 0.0000 172.4369 26 A 4.8455 7.2986 122.1469 50.7927 20.4526 176.9746 27 R 4.3049 8.9193 122.7742 58.1909 31.7473 176.2014 28 E 5.0746 8.0637 119.1529 54.2166 32.7601 174.1307 29 L 5.2532 8.8815 125.9310 52.7457 45.6564 175.2073 30 K 4.9860 8.6436 123.6944 54.3086 34.6309 175.4960 31 V 3.9701 8.7636 128.7710 63.6215 32.0738 175.7573 32 I 4.2988 8.5313 127.1911 62.7158 39.5493 175.6740 33 S 4.7503 7.8105 115.1331 57.1545 67.8001 172.9801 34 V 4.6280 8.1869 120.2557 61.0074 33.9389 174.1008 35 H 4.1599 9.3271 129.1664 57.0583 30.3226 175.0683 36 G 3.9112 8.6607 113.7315 46.9109 0.0000 172.4405 37 Y 4.7080 7.7826 118.7598 55.0693 41.2024 174.5428 38 S 4.4416 7.8600 120.9751 56.3074 66.4828 172.8716 39 G 4.1340 7.7157 119.2369 44.7863 0.0000 174.9207 40 T 4.4422 8.3959 117.3605 59.8485 69.9092 172.0469 41 K 3.8762 8.4685 126.7625 58.3393 32.3651 176.2087 42 N 4.6681 9.0330 122.8710 53.4902 37.3605 174.6922 43 R 4.0040 7.8348 118.8407 55.7772 30.4188 175.8004 44 L 4.1821 8.5102 126.3490 53.4809 42.2622 174.7567 45 P 4.6114 0.0000 0.0000 63.7211 31.7039 175.5280 46 K 5.0063 8.2054 123.1935 55.6580 34.9002 175.6071 47 A 4.5165 8.7376 122.3938 51.1682 23.2927 176.2194 48 G 3.7771 9.6999 108.4776 44.4109 0.0000 171.8166 49 L 3.9009 8.6436 119.2803 56.6799 41.9273 178.1929 50 G 4.0650 8.6249 109.8128 45.9390 0.0000 172.9832 51 D 4.9447 7.7488 119.2988 52.7149 43.4968 175.4946 52 K 4.8262 8.6452 123.2828 55.0582 33.7655 175.1138 53 I 4.9245 8.3082 121.0684 59.5027 41.1054 174.7344 54 T 4.7614 8.6188 119.7490 62.8175 70.6774 174.1927 55 V 5.0477 8.8886 123.2874 61.6953 35.8777 173.3009 56 S 5.2570 8.7555 118.5174 56.3621 66.3811 173.3113 57 V 4.0467 8.3923 123.1164 63.1443 31.6471 176.5262 58 T 4.0715 8.7372 125.7070 65.8449 69.0376 175.5084 59 K 4.5723 8.5563 119.0092 54.8741 36.5589 176.4047 60 G 4.1468 8.6863 107.7861 44.0651 0.0000 173.2640 61 T 3.9910 8.2382 110.7370 60.8851 68.2022 173.4263 62 P 4.1559 0.0000 0.0000 66.0476 30.9955 178.6330 63 E 3.9728 8.0416 115.9377 59.8548 29.6853 178.7710 64 M 4.2025 8.2337 118.4577 56.7276 32.2694 177.2070 65 R 4.0979 6.5907 114.4442 57.7934 30.6917 177.3806 66 R 3.9681 8.4312 118.0198 56.7035 29.1968 176.8172 67 Q 4.2710 7.5852 117.5871 55.5225 30.4653 175.5266 68 V 5.1781 8.2386 121.8318 60.8197 32.6014 174.2703 69 L 4.8784 8.2337 126.7891 52.7808 46.0094 175.2218 70 E 5.0020 8.4816 118.3861 55.6399 32.1325 175.1625 71 A 4.8800 8.6962 122.6892 51.0030 23.8528 174.9779 72 V 4.4811 8.0668 117.8690 60.8986 34.9588 174.8280 73 V 4.0835 8.4276 128.0050 63.0284 31.5127 176.2434 74 V 3.9996 8.8593 129.1222 64.2663 33.3679 175.7583 75 R 4.0529 7.3523 117.8212 54.4526 34.7444 174.1532 76 Q 4.8553 8.0461 119.2621 54.6919 31.9562 176.2171 77 R 4.3156 9.2396 120.0040 58.4750 30.4843 177.8278 78 K 4.1920 7.8559 118.4033 55.6620 31.6881 175.3415 79 P 4.9356 0.0000 0.0000 62.7741 32.8151 175.0915 80 I 4.9140 8.5715 114.5748 59.2384 41.4695 173.9298 81 R 4.9962 9.0853 124.0467 54.9522 32.2890 175.2703 82 R 4.8989 8.4343 124.3282 53.7562 32.4921 175.5548 83 P 3.8887 0.0000 0.0000 65.6599 31.4103 176.9319 84 D 4.6473 8.1291 115.1574 52.9119 39.6903 175.6578 85 G 4.2225 8.9444 110.8427 46.0395 0.0000 174.8328 86 T 3.9942 7.4874 114.9994 64.3501 69.5840 173.8097 87 R 5.0695 8.4405 122.5905 54.8728 32.8412 175.9670 88 V 4.4666 8.7222 121.2489 61.1393 34.6130 174.3737 89 K 5.1175 8.5455 125.8342 55.2879 36.1861 175.0896 90 F 4.7424 8.7238 119.1457 55.5230 41.9352 176.4082 91 E 4.1533 9.0399 120.0796 58.8227 29.6912 175.0018 92 D 4.6898 7.7186 115.5866 52.9628 42.5765 173.5550 93 N 5.1370 8.7342 115.1661 51.7602 40.7963 174.2005 94 A 5.2610 9.2027 124.6941 50.4188 23.3162 174.4270 95 A 4.9736 9.3050 120.3366 50.4627 23.7494 175.3202 96 V 4.4584 8.2386 119.4160 60.6822 34.0860 175.2881 97 I 4.1590 8.2017 129.1681 62.0572 38.0772 175.3495 98 V 4.9323 8.7814 124.9256 61.5754 35.3472 174.8507 99 D 4.9267 8.0883 123.8633 51.9366 41.8480 176.5409 100 E 3.9567 8.7756 117.1227 59.9409 29.4405 177.6450 101 N 4.5996 8.8208 113.7166 53.0791 38.8658 175.0993 102 E 3.8450 8.0526 116.7772 57.2565 27.4896 173.5873 103 D 5.4197 8.2680 117.8528 50.9646 42.5248 174.4184 104 P 4.5937 0.0000 0.0000 63.1556 31.7048 176.4014 105 R 3.9180 8.6892 122.4205 59.3162 30.2402 177.0382 106 G 3.9894 7.6777 104.6170 45.1310 0.0000 172.3771 107 T 4.5025 8.4981 113.3129 63.4037 70.3529 174.4028 108 E 4.6836 9.1561 121.5268 54.5242 34.0704 174.5526 109 L 5.1892 8.4293 124.1621 52.4766 42.3681 176.5881 110 K 4.0385 8.5332 124.3071 57.1298 32.8561 178.3563 111 G 3.9371 8.8498 113.1415 43.8364 0.0000 170.7526 112 P 4.7354 0.0000 0.0000 62.7224 32.7498 175.2386 113 I 4.7948 8.1177 118.2671 59.6238 42.2961 174.6276 114 A 5.0847 8.1208 126.0096 51.3501 19.4265 179.2216 115 R 3.9536 9.0845 119.2426 59.5383 29.2360 179.3986 116 E 4.0267 8.2386 118.7254 59.1168 29.4067 179.1911 117 V 3.6238 7.8752 117.9433 65.5469 31.6039 177.8486 118 A 3.9993 7.8409 120.5937 55.5065 18.0882 179.4831 119 Q 3.9744 7.3562 114.3704 58.7211 28.7327 179.1741 120 R 4.1273 7.0712 116.6771 56.6650 31.8734 177.2709 121 F 4.7573 7.9242 121.9652 54.8970 38.9888 176.3412 122 G 3.6924 8.4985 111.9117 47.8659 0.0000 172.4738 123 S 3.8274 8.1777 118.3319 60.0742 62.4054 176.7971 124 V 3.5444 7.7563 120.3570 65.7387 31.7074 177.2761 125 A 4.2093 8.2643 121.0956 54.9759 18.6600 180.9283 126 S 4.6140 9.0288 113.9524 57.4177 62.2176 175.4139 127 A 4.5561 7.5613 118.9814 53.5237 23.6057 177.0971 128 A 4.2414 8.4688 120.5423 52.1408 19.1632 178.0560 129 T 4.1307 8.6116 119.4286 66.1823 68.9844 174.9504 130 M 4.9142 7.7454 118.8757 53.7802 36.4292 175.3956 131 I 4.8118 8.1276 121.3067 60.0688 39.8300 175.3079 132 V 3.8922 8.7964 126.5836 62.8820 31.5326 175.4630 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 M 8.30 4.42 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 2 E 8.31 3.91 0.00 1.93 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 0.00 2.24 2.33 0.00 3 A 9.26 4.09 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 4 L 8.51 4.16 0.00 1.65 1.74 0.95 0.95 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 5 G 8.98 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 0.00 0.00 0.00 6 A 7.49 4.49 1.21 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 7 D 8.57 4.71 0.00 2.63 2.61 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 8 V 8.43 4.56 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 0.81 0.00 0.00 0.95 0.00 0.00 9 T 7.79 4.43 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 1.22 0.00 0.00 10 Q 8.70 3.86 0.00 1.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 11 G 9.02 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 12 L 8.42 5.07 0.00 1.60 1.50 0.87 0.73 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 13 E 8.80 5.13 0.00 1.85 1.76 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 2.19 2.21 0.00 14 K 8.45 3.97 0.00 1.73 1.76 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 15 G 8.96 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 0.00 0.00 0.00 16 S 8.49 4.30 0.00 3.78 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 17 L 8.44 5.10 0.00 1.50 1.72 0.95 0.76 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 18 I 8.87 4.62 2.00 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 1.32 0.98 0.88 0.00 0.00 19 T 8.91 4.47 4.31 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 1.20 0.00 0.00 20 C 8.36 4.84 0.00 2.99 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 21 A 8.51 4.52 1.31 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 0.00 0.00 22 D 7.54 5.36 0.00 2.77 2.61 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 23 N 8.31 4.86 0.00 2.87 3.04 0.00 0.00 5.70 7.22 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 24 T 7.95 3.81 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 1.24 0.00 0.00 25 G 8.13 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 0.00 0.00 0.00 26 A 7.30 4.85 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 27 R 8.92 4.30 0.00 1.77 1.96 0.00 3.06 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 28 E 8.06 5.07 0.00 2.00 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 2.24 2.43 0.00 29 L 8.88 5.25 0.00 1.56 1.48 0.88 0.90 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 30 K 8.64 4.99 0.00 1.78 1.75 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.76 3.97 2.21 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 0.86 0.00 0.00 0.90 0.00 0.00 32 I 8.53 4.30 1.87 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 1.23 0.96 0.92 0.00 0.00 33 S 7.81 4.75 0.00 3.74 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 34 V 8.19 4.63 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 0.94 0.00 0.00 0.88 0.00 0.00 35 H 9.33 4.16 0.00 3.26 3.32 0.00 6.15 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.66 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 37 Y 7.78 4.71 0.00 2.92 3.02 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 38 S 7.86 4.44 0.00 3.79 3.63 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 0.00 0.00 0.00 0.00 39 G 7.72 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 0.00 0.00 0.00 40 T 8.40 4.44 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 1.23 0.00 0.00 41 K 8.47 3.88 0.00 1.74 1.75 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.03 4.67 0.00 2.95 3.05 0.00 0.00 7.06 7.66 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 43 R 7.83 4.00 0.00 1.80 2.04 0.00 3.37 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 44 L 8.51 4.18 0.00 1.87 1.62 1.02 1.17 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 45 P 0.00 4.61 0.00 2.21 2.49 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 46 K 8.21 5.01 0.00 1.64 1.75 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.11 1.07 7.81 47 A 8.74 4.52 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.70 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 49 L 8.64 3.90 0.00 1.59 1.66 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.62 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 0.00 0.00 0.00 0.00 51 D 7.75 4.94 0.00 2.73 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 52 K 8.65 4.83 0.00 1.89 1.73 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.44 7.81 53 I 8.31 4.92 1.98 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 1.16 0.55 0.87 0.00 0.00 54 T 8.62 4.76 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 1.21 0.00 0.00 55 V 8.89 5.05 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 0.99 0.00 0.00 0.89 0.00 0.00 56 S 8.76 5.26 0.00 3.90 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 57 V 8.39 4.05 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 0.91 0.00 0.00 0.94 0.00 0.00 58 T 8.74 4.07 4.38 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 1.34 0.00 0.00 59 K 8.56 4.57 0.00 1.73 1.64 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.53 7.81 60 G 8.69 4.15 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 0.00 61 T 8.24 3.99 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 62 P 0.00 4.16 0.00 2.17 2.18 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 63 E 8.04 3.97 0.00 1.93 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 2.31 2.34 0.00 64 M 8.23 4.20 0.00 2.00 2.09 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 2.73 2.71 0.00 65 R 6.59 4.10 0.00 1.77 1.88 0.00 3.26 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 66 R 8.43 3.97 0.00 1.99 2.09 0.00 3.15 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.59 4.27 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 68 V 8.24 5.18 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 0.95 0.00 0.00 0.93 0.00 0.00 69 L 8.23 4.88 0.00 1.57 1.50 0.90 0.90 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 70 E 8.48 5.00 0.00 2.02 1.78 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 2.31 2.28 0.00 71 A 8.70 4.88 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.07 4.48 1.70 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 0.32 0.00 0.00 -0.11 0.00 0.00 73 V 8.43 4.08 2.15 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 0.78 0.00 0.00 0.90 0.00 0.00 74 V 8.86 4.00 1.97 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 0.79 0.00 0.00 0.91 0.00 0.00 75 R 7.35 4.05 0.00 1.50 1.35 0.00 3.20 0.00 0.00 3.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.29 0.00 76 Q 8.05 4.86 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.61 0.00 77 R 9.24 4.32 0.00 1.84 2.06 0.00 3.14 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 78 K 7.86 4.19 0.00 1.76 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.55 7.81 79 P 0.00 4.94 0.00 2.13 1.97 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.57 4.91 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.98 0.00 0.00 81 R 9.09 5.00 0.00 1.86 1.81 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 82 R 8.43 4.90 0.00 1.93 1.81 0.00 3.22 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 83 P 0.00 3.89 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 84 D 8.13 4.65 0.00 2.78 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 85 G 8.94 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 86 T 7.49 3.99 4.34 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 1.19 0.00 0.00 87 R 8.44 5.07 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 88 V 8.72 4.47 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 0.77 0.00 0.00 0.91 0.00 0.00 89 K 8.55 5.12 0.00 2.01 1.73 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.40 7.81 90 F 8.72 4.74 0.00 3.31 3.05 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 91 E 9.04 4.15 0.00 1.96 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 2.31 2.26 0.00 92 D 7.72 4.69 0.00 2.69 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 93 N 8.73 5.14 0.00 2.62 2.72 0.00 0.00 6.46 7.21 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 94 A 9.20 5.26 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 95 A 9.31 4.97 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 96 V 8.24 4.46 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 0.98 0.00 0.00 0.91 0.00 0.00 97 I 8.20 4.16 1.83 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 1.07 0.64 0.92 0.00 0.00 98 V 8.78 4.93 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 0.75 0.00 0.00 0.86 0.00 0.00 99 D 8.09 4.93 0.00 2.92 2.80 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 0.00 0.00 0.00 100 E 8.78 3.96 0.00 1.98 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 2.31 2.34 0.00 101 N 8.82 4.60 0.00 2.96 2.86 0.00 0.00 7.14 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 0.00 102 E 8.05 3.84 0.00 2.29 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 0.00 2.29 2.33 0.00 103 D 8.27 5.42 0.00 2.87 2.57 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 0.00 0.00 0.00 104 P 0.00 4.59 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 105 R 8.69 3.92 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.68 3.99 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 0.00 107 T 8.50 4.50 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 0.00 108 E 9.16 4.68 0.00 1.80 1.77 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 2.21 2.27 0.00 109 L 8.43 5.19 0.00 1.52 1.62 0.99 1.00 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 0.00 110 K 8.53 4.04 0.00 1.63 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 111 G 8.85 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 0.00 0.00 0.00 112 P 0.00 4.74 0.00 2.25 2.17 0.00 3.79 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 2.16 2.11 0.00 113 I 8.12 4.79 2.04 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 1.14 0.97 0.93 0.00 0.00 114 A 8.12 5.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.08 3.95 0.00 2.07 2.38 0.00 2.80 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.24 4.03 0.00 2.12 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 2.44 2.54 0.00 117 V 7.88 3.62 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 1.26 0.00 0.00 1.04 0.00 0.00 118 A 7.84 4.00 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 0.00 119 Q 7.36 3.97 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 120 R 7.07 4.13 0.00 1.49 0.66 0.00 3.03 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 121 F 7.92 4.76 0.00 3.10 2.95 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 0.00 122 G 8.50 3.69 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 0.00 0.00 0.00 123 S 8.18 3.83 0.00 4.08 4.19 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 0.00 124 V 7.76 3.54 2.42 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 0.86 0.00 0.00 0.94 0.00 0.00 125 A 8.26 4.21 1.40 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 0.00 0.00 126 S 9.03 4.61 0.00 3.94 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 0.00 127 A 7.56 4.56 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 0.00 128 A 8.47 4.24 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 0.00 129 T 8.61 4.13 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 1.22 0.00 0.00 130 M 7.75 4.91 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.13 4.81 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 1.27 0.52 0.95 0.00 0.00 132 V 8.80 3.89 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 0.89 0.00 0.00 0.99 0.00 0.00