NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.4736 8.2993 120.1345 56.5235 33.6355 175.5141 6 T 4.2497 8.9909 114.3153 59.6704 70.4881 174.6323 7 F 4.1373 10.3982 124.7908 61.7259 39.9070 178.5158 8 K 4.0127 7.6332 116.7363 59.2005 31.8474 178.7991 9 Q 4.1864 7.7901 117.1647 57.6697 28.9306 177.5314 10 R 4.2775 7.4209 116.8971 55.9487 30.8538 176.6281 11 R 4.5199 6.9442 116.9909 53.0877 34.0154 175.6275 12 S 4.4178 8.4194 117.1942 57.7915 65.1037 175.2559 13 F 4.2092 8.7389 123.5359 61.7258 39.1914 176.8703 14 E 3.8139 8.3327 117.6208 59.3838 29.1978 178.9788 15 Q 3.9692 8.0494 119.4990 59.3360 29.0669 178.6857 16 R 4.4848 8.1811 120.5683 58.7818 30.1688 179.0448 17 V 3.8694 7.6951 119.6438 65.4567 31.4283 177.7623 18 E 3.9358 8.2336 118.9146 59.1291 29.2141 178.3802 19 D 4.4204 8.3077 119.3054 57.4680 40.9907 179.0648 20 V 3.2528 7.7637 118.6940 65.7652 31.3475 177.8632 21 R 3.8527 7.9192 118.4444 59.4866 29.8816 178.4829 22 L 3.9480 7.8931 118.5902 57.8917 41.5842 179.4061 23 I 3.7772 7.7839 118.5615 64.0686 37.4093 178.1513 24 R 3.8630 8.4937 119.3287 58.7036 29.5596 178.6735 25 E 3.9617 7.6820 118.6962 59.3045 29.8652 178.4783 26 Q 4.1680 7.9131 116.4167 57.7753 30.3175 176.5505 27 H 4.9457 8.2672 117.2643 53.0502 29.8488 172.0094 28 P 4.4063 0.0000 0.0000 64.4508 31.7921 178.2272 29 T 4.8035 7.7961 107.1730 60.3296 69.0910 173.3431 30 K 5.0337 7.8804 120.9863 55.0047 34.9364 175.4754 31 I 4.0784 8.8690 125.6706 58.7519 39.6221 173.0643 32 P 4.9848 0.0000 0.0000 62.3938 32.6517 175.1458 33 V 4.8686 9.1241 125.3023 60.8953 34.9187 174.0867 34 I 4.5986 8.5312 128.8415 59.7689 38.8553 174.6020 35 I 4.9673 8.7247 128.8848 59.6447 39.0680 175.1267 36 E 4.8878 9.0198 125.8002 54.0190 34.2011 175.1548 37 R 2.5745 8.1302 122.0330 55.5765 30.8398 175.5824 38 Y 4.3894 8.6143 128.1790 57.7865 39.2975 177.4681 39 K 3.5920 8.5157 124.6609 59.3706 32.6269 177.7099 40 G 3.5549 5.3800 105.5794 44.8004 0.0000 172.3772 41 E 4.5688 7.8059 121.7573 54.6830 30.4824 175.8442 42 K 4.5962 8.4495 122.9001 56.1030 34.7087 177.4847 43 Q 4.1154 8.4600 119.3886 58.9212 29.2686 176.3881 44 L 4.2923 8.4559 117.4337 53.7670 42.1733 175.2935 45 P 4.6399 0.0000 0.0000 62.3992 32.4993 175.2495 46 V 4.7184 7.8663 117.1425 60.3274 32.8144 175.4194 47 L 4.3475 8.5186 126.1505 54.6881 42.2845 176.8824 48 D 4.4572 8.8335 123.4941 56.7879 41.5759 177.4421 49 K 4.5833 7.8717 119.5248 52.8470 34.9524 178.5235 50 T 4.9736 8.5024 112.4465 60.5522 70.5598 173.5125 51 K 4.5651 7.7171 122.3687 55.0177 33.5813 175.6136 52 F 4.7531 9.5806 124.0872 55.3556 42.8407 174.4054 53 L 5.0114 8.6322 123.8405 53.6073 43.6134 175.2546 54 V 4.3982 8.6225 127.7016 60.1332 34.0117 173.2521 55 P 4.7824 0.0000 0.0000 62.8768 31.5012 176.9820 56 D 4.5505 9.0595 123.8598 55.9264 39.6360 178.1005 57 H 4.3813 8.1316 114.3153 57.5129 29.5123 176.1415 58 V 3.7631 7.3011 120.5737 63.0078 31.8948 174.9355 59 N 5.2186 9.1397 124.9442 51.3864 40.7378 176.0496 60 M 4.0021 8.3110 120.1277 58.6572 32.0895 178.8588 61 S 4.0865 8.2919 113.2395 61.6641 62.6124 176.2756 62 E 3.9357 8.8899 121.3519 59.2354 29.1781 179.0145 63 L 3.8868 8.0156 120.3808 58.2863 42.0735 178.9235 64 I 3.7891 8.4567 122.4390 65.1166 37.0563 179.1730 65 K 3.8640 7.8882 123.9083 59.6675 31.4247 181.1787 66 I 3.8404 7.5400 120.5303 64.3957 36.9823 178.6636 67 I 3.5513 7.6855 120.6767 64.2595 36.7519 178.6662 68 R 3.2694 7.7848 121.5884 59.5764 29.7486 179.9932 69 R 3.8209 7.7499 120.2401 61.4876 29.2244 180.8107 70 R 4.1309 7.9184 118.2992 59.0846 30.2359 178.5578 71 L 4.1219 7.8264 115.4584 54.2981 42.3661 176.6081 72 Q 3.4279 7.9420 117.6758 56.7673 26.7749 173.6900 73 L 4.4271 7.7785 116.1648 53.5852 43.5401 176.6873 74 N 4.6183 8.2775 119.1158 52.3695 39.9470 176.0269 75 A 4.0395 8.5012 126.6004 55.1448 18.5499 178.6982 76 N 4.5032 9.0563 112.4900 55.0746 38.8561 175.1283 77 Q 4.4349 7.9518 118.2641 53.8937 30.0362 175.3755 78 A 4.0587 8.4874 124.7843 52.3362 19.0630 176.5684 79 F 4.8214 7.6737 123.5579 56.8458 42.8268 173.4547 80 F 4.6634 8.2791 123.4857 55.5029 43.5042 173.2783 81 L 4.8558 8.5868 124.5790 53.4459 43.7546 175.1215 82 L 4.8898 8.9887 127.1909 52.8951 44.8055 175.7312 83 V 4.4803 8.6558 123.3308 61.3154 33.8847 175.3434 84 N 4.0511 9.9262 126.2184 54.4990 35.9508 175.3699 85 G 3.9622 9.1144 104.5168 45.6010 0.0000 173.5841 86 H 4.9324 7.7024 114.2142 53.4794 31.7114 173.2018 87 S 4.7000 8.4308 117.2374 58.2643 63.5040 174.3131 88 M 4.2232 8.4141 123.5224 55.2972 32.3466 176.8400 89 V 3.7256 8.6243 122.8343 65.3181 32.1318 176.2618 90 S 4.6706 7.7476 113.2894 56.3386 64.9582 174.6703 91 V 3.8690 8.4274 120.4825 63.4288 31.6777 177.5456 92 S 4.4556 7.5338 111.9642 58.9454 63.6083 174.6379 93 T 3.9899 7.6994 119.9543 63.0473 68.8030 172.2026 94 P 4.7287 0.0000 0.0000 62.1032 32.4047 177.2291 95 I 3.7288 9.0244 122.6554 64.3211 37.8954 178.4301 96 S 4.2875 7.8259 114.3738 61.7007 62.7061 176.5680 97 E 4.0466 8.2424 122.0403 59.0034 29.1999 179.3151 98 V 3.6390 7.7213 117.9060 66.1495 31.7766 177.1948 99 Y 4.1464 8.6885 119.6148 60.8050 38.3995 177.7627 100 E 3.9086 8.1634 119.0923 58.5456 29.8720 177.9834 101 S 4.6487 7.8721 111.0781 58.3235 64.1782 174.2882 102 E 4.6459 8.3337 120.2681 55.5372 31.2071 176.4981 103 R 4.1015 7.4171 115.4039 56.0948 29.9861 176.1481 104 D 4.7488 9.3321 119.8925 53.7855 42.0399 177.1337 105 E 4.1716 8.8362 121.9810 59.2818 29.6683 178.2373 106 D 4.3112 9.3993 118.0059 53.9479 39.8676 177.6457 107 G 4.0246 8.1718 108.1583 45.3579 0.0000 174.0993 108 F 4.6635 9.2262 118.8184 56.8601 41.0433 174.4108 109 L 5.0284 8.6929 123.3825 53.9645 43.6237 174.6940 110 Y 5.1978 8.8568 123.8784 56.9858 40.1212 175.0378 111 M 5.1813 9.1278 121.3446 54.0991 37.2366 174.4116 112 V 5.7359 9.0430 113.9320 58.7703 36.1650 174.1764 113 Y 5.2740 7.9603 120.3001 55.5366 41.2559 174.1446 114 A 5.1805 8.7411 121.8682 50.2745 23.6782 178.8978 115 S 4.9533 9.6774 113.1412 58.5501 62.6127 177.6860 116 Q 4.6587 8.7579 113.5927 53.4196 32.1237 174.1287 117 E 4.0215 8.7892 121.7343 56.4553 30.3291 176.1235 118 T 4.7758 7.8220 113.6137 59.9740 71.3857 173.5156 119 F 4.8963 8.5756 119.6348 55.9266 43.0833 175.2967 120 G 3.7848 8.5842 110.8378 45.9700 0.0000 172.4578 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 5 K 8.30 4.47 0.00 1.77 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 6 T 8.99 4.25 4.45 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 0.00 0.00 0.00 1.22 0.00 0.00 7 F 10.40 4.14 0.00 3.13 3.25 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 0.00 8 K 7.63 4.01 0.00 1.96 1.86 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.60 1.48 7.81 9 Q 7.79 4.19 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 10 R 7.42 4.28 0.00 1.68 1.91 0.00 3.11 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 11 R 6.94 4.52 0.00 1.25 1.60 0.00 3.10 0.00 0.00 2.68 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.00 12 S 8.42 4.42 0.00 4.10 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 13 F 8.74 4.21 0.00 3.16 3.17 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 14 E 8.33 3.81 0.00 2.13 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 2.46 2.52 0.00 15 Q 8.05 3.97 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 16 R 8.18 4.48 0.00 2.13 2.45 0.00 3.78 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 17 V 7.70 3.87 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 1.23 0.00 0.00 0.25 0.00 0.00 18 E 8.23 3.94 0.00 2.18 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 0.00 2.30 2.40 0.00 19 D 8.31 4.42 0.00 3.23 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 20 V 7.76 3.25 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 0.82 0.00 0.00 -0.05 0.00 0.00 21 R 7.92 3.85 0.00 1.98 2.02 0.00 3.14 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 1.61 1.66 0.00 22 L 7.89 3.95 0.00 2.09 1.70 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.78 3.78 1.96 0.00 0.00 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 1.54 1.48 0.88 0.00 0.00 24 R 8.49 3.86 0.00 1.83 1.93 0.00 3.21 0.00 0.00 2.89 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 25 E 7.68 3.96 0.00 2.03 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 2.29 2.32 0.00 26 Q 7.91 4.17 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 27 H 8.27 4.95 0.00 3.20 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.41 0.00 2.16 2.18 0.00 3.34 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 29 T 7.80 4.80 4.32 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 1.21 0.00 0.00 30 K 7.88 5.03 0.00 1.74 1.66 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 31 I 8.87 4.08 1.73 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 0.51 0.00 0.00 32 P 0.00 4.98 0.00 2.09 2.11 0.00 2.96 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.73 0.00 33 V 9.12 4.87 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 1.02 0.00 0.00 0.99 0.00 0.00 34 I 8.53 4.60 1.12 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 0.18 -0.36 0.72 0.00 0.00 35 I 8.72 4.97 1.78 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.46 1.06 0.00 0.00 36 E 9.02 4.89 0.00 1.89 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 2.29 2.30 0.00 37 R 8.13 2.57 0.00 1.49 1.64 0.00 3.46 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 38 Y 8.61 4.39 0.00 2.94 2.85 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 39 K 8.52 3.59 0.00 1.67 1.75 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.85 0.90 7.81 40 G 5.38 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 41 E 7.81 4.57 0.00 2.09 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 2.55 2.42 0.00 42 K 8.45 4.60 0.00 1.73 1.78 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.30 7.81 43 Q 8.46 4.12 0.00 2.04 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 44 L 8.46 4.29 0.00 1.98 1.86 1.24 1.09 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 45 P 0.00 4.64 0.00 2.24 2.13 0.00 3.83 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 2.03 1.97 0.00 46 V 7.87 4.72 2.16 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 47 L 8.52 4.35 0.00 1.89 1.87 1.36 1.12 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 48 D 8.83 4.46 0.00 2.65 2.68 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 49 K 7.87 4.58 0.00 1.76 1.51 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 0.95 7.81 50 T 8.50 4.97 4.41 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 1.38 0.00 0.00 51 K 7.72 4.57 0.00 1.50 1.65 0.00 1.73 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.87 1.06 7.81 52 F 9.58 4.75 0.00 3.00 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 53 L 8.63 5.01 0.00 1.56 1.51 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.62 4.40 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 0.87 0.00 0.00 0.96 0.00 0.00 55 P 0.00 4.78 0.00 1.81 1.91 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 56 D 9.06 4.55 0.00 2.79 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 57 H 8.13 4.38 0.00 3.28 3.47 0.00 5.54 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.30 3.76 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 0.93 0.00 0.00 0.81 0.00 0.00 59 N 9.14 5.22 0.00 3.17 2.94 0.00 0.00 6.77 7.23 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 60 M 8.31 4.00 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.87 0.00 61 S 8.29 4.09 0.00 3.88 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 62 E 8.89 3.94 0.00 2.17 1.96 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 2.32 2.56 0.00 63 L 8.02 3.89 0.00 1.71 1.81 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.46 3.79 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 1.01 0.00 0.00 65 K 7.89 3.86 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 66 I 7.54 3.84 1.96 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 1.68 0.73 0.92 0.00 0.00 67 I 7.69 3.55 1.57 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 0.73 0.00 0.00 68 R 7.78 3.27 0.00 1.76 1.68 0.00 2.92 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.78 0.00 69 R 7.75 3.82 0.00 1.83 1.94 0.00 3.28 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 1.56 1.54 0.00 70 R 7.92 4.13 0.00 1.88 2.07 0.00 3.35 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 71 L 7.83 4.12 0.00 1.48 1.58 0.35 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.94 3.43 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 73 L 7.78 4.43 0.00 1.44 1.50 0.76 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.28 4.62 0.00 2.70 2.65 0.00 0.00 6.87 8.54 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 75 A 8.50 4.04 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 76 N 9.06 4.50 0.00 2.89 2.89 0.00 0.00 6.95 8.31 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 77 Q 7.95 4.43 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 78 A 8.49 4.06 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 79 F 7.67 4.82 0.00 2.87 2.68 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 80 F 8.28 4.66 0.00 2.98 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 81 L 8.59 4.86 0.00 1.65 1.58 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.99 4.89 0.00 1.52 1.43 0.87 0.41 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 83 V 8.66 4.48 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 1.01 0.00 0.00 0.93 0.00 0.00 84 N 9.93 4.05 0.00 3.05 2.93 0.00 0.00 7.28 7.65 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 85 G 9.11 3.96 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 0.00 0.00 0.00 86 H 7.70 4.93 0.00 3.27 3.31 0.00 5.27 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.43 4.70 0.00 3.89 3.87 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 88 M 8.41 4.22 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 89 V 8.62 3.73 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 0.77 0.00 0.00 0.95 0.00 0.00 90 S 7.75 4.67 0.00 3.85 3.65 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 91 V 8.43 3.87 2.17 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 0.75 0.00 0.00 0.95 0.00 0.00 92 S 7.53 4.46 0.00 4.03 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 93 T 7.70 3.99 4.32 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 1.24 0.00 0.00 94 P 0.00 4.73 0.00 2.20 1.98 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 95 I 9.02 3.73 1.93 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 1.56 0.68 0.98 0.00 0.00 96 S 7.83 4.29 0.00 4.15 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 0.00 97 E 8.24 4.05 0.00 2.25 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 2.36 2.34 0.00 98 V 7.72 3.64 2.29 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 1.15 0.00 0.00 1.04 0.00 0.00 99 Y 8.69 4.15 0.00 3.12 3.17 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 0.00 100 E 8.16 3.91 0.00 2.20 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 2.35 2.37 0.00 101 S 7.87 4.65 0.00 4.10 3.96 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 0.00 102 E 8.33 4.65 0.00 2.06 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 2.34 2.38 0.00 103 R 7.42 4.10 0.00 1.75 1.36 0.00 2.56 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 0.00 104 D 9.33 4.75 0.00 3.12 3.33 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 0.00 105 E 8.84 4.17 0.00 2.25 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 2.38 2.37 0.00 106 D 9.40 4.31 0.00 2.87 3.14 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 0.00 107 G 8.17 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 0.00 108 F 9.23 4.66 0.00 3.19 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 0.00 0.00 0.00 0.00 109 L 8.69 5.03 0.00 2.19 1.81 1.03 1.17 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 0.00 110 Y 8.86 5.20 0.00 2.93 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 0.00 111 M 9.13 5.18 0.00 1.94 1.91 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 2.55 2.55 0.00 112 V 9.04 5.74 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 0.83 0.00 0.00 0.89 0.00 0.00 113 Y 7.96 5.27 0.00 2.56 2.90 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 0.00 114 A 8.74 5.18 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 0.00 115 S 9.68 4.95 0.00 4.08 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 0.00 116 Q 8.76 4.66 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 117 E 8.79 4.02 0.00 1.86 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 1.47 1.98 0.00 118 T 7.82 4.78 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 1.23 0.00 0.00 119 F 8.58 4.90 0.00 2.93 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 0.00 120 G 8.58 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