NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9450 8.1976 109.7379 45.4978 0.0000 173.7704 4 I 4.1087 8.2835 120.1565 59.8363 37.5660 175.5610 5 A 4.1945 8.5398 125.4532 56.0732 18.4447 181.5094 6 L 4.1872 7.9268 116.0212 56.7529 41.6883 179.6810 7 S 4.1114 7.7996 114.5286 61.3523 63.4739 176.0088 8 R 3.8962 8.6070 124.0241 59.0753 29.6698 178.4231 9 L 4.0578 8.0176 117.7432 57.5099 41.5997 179.1667 10 A 4.0996 7.6536 120.4652 54.6201 18.3018 179.1587 11 Q 4.1184 8.1935 118.1043 58.6092 29.1236 178.0569 12 E 4.0654 8.5348 120.3660 59.3111 29.5856 178.7161 13 R 4.1985 8.5159 118.9483 59.7868 29.9215 177.8050 14 K 3.8540 8.2451 118.7305 59.9878 32.2242 178.2512 15 A 4.0853 8.5292 120.6884 54.9135 18.1436 179.3843 16 W 4.1963 8.7023 126.2313 60.8099 30.9397 177.7962 17 R 4.1291 8.2005 116.7757 59.5451 29.6094 178.4539 18 K 4.2530 7.6296 117.8803 57.8022 32.3304 176.4241 19 D 4.4491 7.8833 121.9473 52.6982 43.1712 174.1462 20 H 4.3957 7.8313 121.0516 52.2449 31.3299 171.3845 21 P 4.0642 0.0000 0.0000 62.5028 31.9124 176.0757 22 F 4.2549 8.6869 122.9362 59.4884 39.9451 176.7083 23 G 3.7662 7.9274 115.9053 46.1616 0.0000 174.1669 24 F 4.6935 8.3234 117.1926 57.8689 39.9703 175.2540 25 V 4.9064 9.1126 119.6297 62.0079 35.4002 174.3261 26 A 5.0356 8.6000 124.9538 51.4906 20.4826 174.8344 27 V 4.1492 8.5327 113.8751 58.8885 35.5302 173.6036 28 P 3.9448 0.0000 0.0000 62.6796 31.4112 176.5857 29 T 4.0112 9.0010 121.3433 63.9511 69.9961 173.1053 30 K 5.1605 8.2484 122.8313 54.5853 33.7252 176.4942 31 N 4.5038 9.2851 123.9814 52.2854 39.1281 174.4947 32 P 4.4035 0.0000 0.0000 65.7703 31.3233 177.3474 33 D 4.3945 8.1263 117.8137 55.8775 39.4037 175.9086 34 G 3.4238 7.7307 111.0150 45.6636 0.0000 173.8106 35 T 4.2850 8.9565 116.2776 61.5019 69.1222 173.5036 36 M 4.5403 8.3311 123.5074 55.0164 33.1504 177.0212 37 N 4.7094 9.6095 123.8423 51.7276 37.8108 175.4439 38 L 4.1710 8.3786 121.5017 56.3469 42.4482 178.0338 39 M 4.4143 8.5209 118.7595 56.0966 33.0009 175.1171 40 N 5.7139 8.8311 118.2333 51.6161 41.4330 173.6277 41 W 5.3322 9.6089 125.9570 54.9589 33.4624 174.1517 42 E 4.9778 9.0401 121.8141 55.0495 31.9669 175.1373 43 C 5.3563 9.1521 120.9720 58.3489 33.3603 172.5053 44 A 5.1577 8.8191 119.6845 51.2418 22.6596 175.5634 45 I 3.9231 9.3764 123.6298 58.6802 40.7297 172.9714 46 P 5.0812 0.0000 0.0000 61.0471 32.6784 176.1146 47 G 4.7176 9.0344 111.4393 45.9340 0.0000 172.8015 48 K 4.4543 8.9100 125.1238 56.1231 33.5559 176.0073 49 K 4.3131 8.6952 127.7225 57.7674 32.9251 175.3615 50 G 4.2380 11.1470 113.6952 45.8194 0.0000 174.3037 51 T 4.4330 7.5325 108.4592 59.9624 69.7591 173.9239 52 P 4.4469 0.0000 0.0000 64.7371 31.3133 176.8772 53 W 4.4275 8.2219 118.3969 57.2922 29.6417 175.9171 54 E 4.4086 7.8582 119.6136 57.3139 29.3365 176.2468 55 G 4.1420 9.2159 113.7321 45.2747 0.0000 173.9919 56 G 3.3916 7.8978 106.6487 45.8256 0.0000 172.9356 57 L 4.7262 8.8676 125.2293 52.9470 43.1212 176.1258 58 F 4.9850 9.2033 124.8306 55.8163 40.8466 175.5662 59 K 5.1501 9.0049 124.0327 55.6965 33.8954 175.9255 60 L 5.1366 8.7194 122.5919 54.6598 44.5447 174.3090 61 R 4.9837 9.3120 121.3132 54.9105 32.8391 174.3592 62 M 4.3912 8.8617 125.8842 53.6142 34.2827 174.8689 63 L 4.9110 7.8637 124.5087 53.0834 43.7873 175.6072 64 F 4.5846 9.5602 124.5961 56.1024 40.8101 176.4738 65 K 4.5363 8.3037 121.8710 54.8701 34.2797 176.9802 66 D 4.5937 8.5498 118.6167 57.5235 41.0928 177.9132 67 D 4.5140 8.2962 118.8474 57.1898 41.0766 176.2215 68 Y 4.9270 7.3186 117.6515 56.9526 39.1626 174.3609 69 P 4.0793 0.0000 0.0000 63.2580 31.6299 178.5464 70 S 4.2156 8.4798 116.9626 60.9528 62.5480 174.6944 71 S 4.8400 8.0278 113.6260 55.7134 65.1457 171.4958 72 P 3.0082 0.0000 0.0000 60.4964 32.3383 173.1437 73 P 4.0525 0.0000 0.0000 61.7665 33.1170 175.9612 74 K 4.1454 8.2195 121.9538 54.6742 32.8825 173.5460 75 C 4.6018 7.9301 124.0555 59.0596 29.5836 172.5032 76 K 4.9709 9.0145 123.3353 54.2661 35.3486 175.6912 77 F 4.9074 9.7759 125.5433 57.6411 39.6376 174.9452 78 E 4.8193 9.2946 123.1894 53.8719 31.8671 174.2259 79 P 4.7092 0.0000 0.0000 60.8743 32.6114 174.3686 80 P 4.5406 0.0000 0.0000 63.1555 31.4793 176.2210 81 L 4.3481 8.2375 121.3454 53.5036 43.0943 176.0234 82 F 4.5811 9.8108 123.7767 57.8397 38.9146 174.6863 83 H 4.2613 8.1699 123.9149 54.5087 32.6754 172.7073 84 P 4.1050 0.0000 0.0000 65.6013 31.0739 176.9563 85 N 4.7738 8.3440 114.8648 52.5531 38.7661 173.8595 86 V 4.5489 7.7427 118.5308 60.8737 33.6380 175.1924 87 Y 4.7504 8.1073 124.5829 56.9240 38.2755 175.8607 88 P 4.6904 0.0000 0.0000 65.0374 31.5857 178.1242 89 S 4.2252 8.0729 112.1889 59.4641 63.3425 175.1479 90 G 4.1881 8.8343 109.2050 45.0708 0.0000 173.3914 91 T 4.2179 7.9670 116.7051 63.4925 69.8674 173.5295 92 V 4.4327 7.9576 124.6662 61.5677 33.0698 174.6792 93 C 4.6546 8.2636 125.9220 57.9752 29.6394 173.2704 94 L 4.5067 8.0562 125.7287 53.4461 45.5632 175.9442 95 S 4.1134 9.1092 122.7556 61.9793 62.7639 176.8710 96 I 4.3352 7.7763 110.1069 62.6421 37.5396 175.8750 97 L 4.4883 7.9093 121.8702 53.9793 41.9693 176.3769 98 E 4.6060 7.8172 117.0732 55.0915 33.6292 175.9840 99 E 4.2423 9.0642 124.0134 59.9899 29.7121 181.3368 100 D 4.9750 7.9285 116.5353 53.6447 41.0503 176.6201 101 K 4.2894 8.4740 128.8537 57.0821 39.2409 176.4211 102 D 4.6690 8.8122 127.9535 55.2514 40.1913 175.8825 103 W 4.7897 7.7032 130.1206 57.2765 30.2708 175.0378 104 R 3.9381 5.8400 116.3904 54.7499 33.0972 174.5943 105 P 4.1662 0.0000 0.0000 65.2945 31.6685 177.9176 106 A 3.9654 7.8300 119.3152 55.1723 18.2573 178.2369 107 I 3.7424 6.2488 114.5022 62.6362 37.8562 175.9793 108 T 4.9191 9.2834 118.4835 59.9030 70.8592 175.2123 109 I 3.6188 8.2757 125.6298 64.5567 37.0688 178.1436 110 K 4.1928 8.3894 119.5255 60.1523 32.0132 178.5780 111 Q 4.0744 8.2141 117.3660 59.1532 28.5585 178.3682 112 I 3.8248 7.7844 121.0831 64.1308 37.3205 178.0996 113 L 4.0491 8.5357 120.0842 58.1784 41.6458 179.9872 114 L 4.3446 8.4556 119.1502 57.7055 41.7054 179.6171 115 G 3.6778 8.2692 105.7298 47.8309 0.0000 175.8462 116 I 3.7759 8.0489 122.1193 64.0538 36.8558 178.2397 117 Q 3.9850 7.8098 119.5372 58.9951 29.0377 177.4966 118 E 4.0494 8.2024 120.5039 58.9253 29.4257 178.5014 119 L 3.8757 7.4793 119.7307 57.7456 42.1507 177.7972 120 L 3.1560 7.0147 117.7850 57.2125 41.3544 177.7938 121 N 4.7616 7.4747 113.0688 53.8971 39.8539 174.5299 122 E 4.7078 7.3138 116.8252 53.9589 29.5428 173.6786 123 P 4.3749 0.0000 0.0000 62.5492 32.3087 177.5335 124 N 4.5580 10.0038 120.9730 52.1101 37.4775 175.4955 125 I 3.6700 7.9136 125.4885 63.9466 37.5602 178.0177 126 Q 4.1269 8.0219 118.0378 58.2267 28.7229 176.0707 127 D 4.5267 7.3265 116.0939 51.1530 41.2260 172.9261 128 P 4.3809 0.0000 0.0000 61.9591 32.2951 176.1640 129 A 4.3581 9.0199 122.2318 51.8802 21.0046 176.5523 130 Q 4.7119 7.4895 112.4767 53.3745 32.1322 175.9083 131 A 4.0847 8.7933 122.1988 55.4227 18.5786 179.6931 132 E 3.9616 8.2663 117.0855 59.5796 29.9168 178.6242 133 A 3.8207 8.1913 120.4820 55.1142 18.2205 178.7608 134 Y 4.0479 7.5942 117.2829 61.3771 38.8494 178.1850 135 T 3.6989 8.1179 116.3325 67.1885 68.7828 176.5230 136 I 3.7779 8.0138 121.2030 64.5263 36.9070 177.9937 137 Y 3.7263 7.8960 119.8350 60.5532 38.6055 177.6617 138 C 4.1737 7.5226 116.2809 62.5348 28.4589 175.3109 139 Q 4.4478 7.4769 116.4571 54.4014 30.1476 175.7973 140 N 4.6511 7.3628 116.3538 51.8667 42.0489 174.7370 141 R 3.7138 7.4173 123.4134 59.6788 30.4467 176.9891 142 V 4.3394 7.7813 118.5072 65.5986 31.3398 177.4014 143 E 3.8975 8.2881 118.2471 59.3161 29.3666 177.9918 144 Y 4.2132 8.1648 119.5135 60.8537 38.8884 177.7677 145 E 3.9199 8.7179 119.7668 59.5579 29.6666 178.8903 146 K 3.6668 8.0690 119.1656 60.1590 32.1912 178.7790 147 R 3.6473 8.0433 117.9017 58.9514 29.8935 179.3356 148 V 3.0633 7.4973 118.2663 65.9195 31.3847 178.4138 149 R 3.7335 7.6691 117.5002 59.0610 29.8774 178.8929 150 A 3.8466 7.8989 120.5988 55.0773 18.4267 179.4125 151 Q 4.0140 7.9952 117.8648 58.8392 28.8391 177.8989 152 A 4.3724 7.4528 121.1285 54.5026 18.7094 179.1346 153 K 4.0528 8.6119 118.2569 59.2586 32.5409 178.7438 154 K 4.1040 8.1159 120.0512 59.5460 31.9877 178.8705 155 F 4.1216 8.6164 116.0058 56.7603 39.3837 174.3914 156 A 4.8746 7.2413 122.0888 49.2265 20.4037 175.9388 157 P 4.0914 0.0000 0.0000 63.5255 31.3465 176.2873 158 S 4.3132 8.5648 116.7015 58.1345 62.3265 173.4082 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 3 G 8.20 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 4 I 8.28 4.11 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.89 0.00 0.00 5 A 8.54 4.19 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 0.00 0.00 0.00 0.00 0.00 6 L 7.93 4.19 0.00 1.73 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.80 4.11 0.00 4.06 4.11 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 8 R 8.61 3.90 0.00 1.90 2.01 0.00 3.29 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.78 0.00 9 L 8.02 4.06 0.00 1.82 1.93 0.91 -0.50 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 10 A 7.65 4.10 1.45 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 0.00 0.00 0.00 11 Q 8.19 4.12 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 12 E 8.53 4.07 0.00 2.34 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 2.68 2.45 0.00 13 R 8.52 4.20 0.00 1.95 2.26 0.00 2.86 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 14 K 8.25 3.85 0.00 2.22 2.09 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.58 7.81 15 A 8.53 4.09 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 0.00 0.00 0.00 0.00 0.00 16 W 8.70 4.20 0.00 3.56 3.53 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 17 R 8.20 4.13 0.00 2.19 2.06 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 18 K 7.63 4.25 0.00 1.75 2.06 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 19 D 7.88 4.45 0.00 2.56 2.45 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 0.00 20 H 7.83 4.40 0.00 1.40 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.06 0.00 0.72 1.41 0.00 3.27 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.78 0.00 22 F 8.69 4.25 0.00 3.07 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 23 G 7.93 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.32 4.69 0.00 3.26 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 25 V 9.11 4.91 2.28 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 1.06 0.00 0.00 1.10 0.00 0.00 26 A 8.60 5.04 0.24 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 V 8.53 4.15 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 0.82 0.00 0.00 0.91 0.00 0.00 28 P 0.00 3.94 0.00 1.39 1.26 0.00 3.04 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.44 0.00 29 T 9.00 4.01 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 1.27 0.00 0.00 30 K 8.25 5.16 0.00 1.59 1.70 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.39 7.81 31 N 9.29 4.50 0.00 2.98 2.73 0.00 0.00 6.29 8.04 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 32 P 0.00 4.40 0.00 2.17 2.20 0.00 3.77 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 1.99 1.97 0.00 33 D 8.13 4.39 0.00 2.80 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 34 G 7.73 3.42 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 0.00 0.00 0.00 35 T 8.96 4.29 4.23 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 1.33 0.00 0.00 36 M 8.33 4.54 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 37 N 9.61 4.71 0.00 2.78 2.77 0.00 0.00 7.07 6.54 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 38 L 8.38 4.17 0.00 1.72 1.82 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.52 4.41 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 40 N 8.83 5.71 0.00 2.81 2.72 0.00 0.00 6.86 7.46 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 41 W 9.61 5.33 0.00 3.17 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 42 E 9.04 4.98 0.00 1.93 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 2.26 2.28 0.00 43 C 9.15 5.36 0.00 2.79 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 44 A 8.82 5.16 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 45 I 9.38 3.92 1.94 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 1.05 0.93 0.72 0.00 0.00 46 P 0.00 5.08 0.00 2.00 1.98 0.00 2.46 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 47 G 9.03 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.45 0.00 1.95 1.80 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.56 7.81 49 K 8.70 4.31 0.00 1.87 1.78 0.00 1.88 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.90 7.81 50 G 11.15 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 0.00 0.00 0.00 51 T 7.53 4.43 4.61 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 1.34 0.00 0.00 52 P 0.00 4.45 0.00 2.06 2.25 0.00 4.00 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 53 W 8.22 4.43 0.00 3.52 3.46 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 54 E 7.86 4.41 0.00 2.24 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 2.42 2.36 0.00 55 G 9.22 4.14 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 0.00 0.00 0.00 56 G 7.90 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.87 4.73 0.00 1.37 1.55 0.87 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 58 F 9.20 4.99 0.00 3.25 3.01 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 0.00 0.00 0.00 59 K 9.00 5.15 0.00 2.08 1.87 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.53 7.81 60 L 8.72 5.14 0.00 1.31 1.31 0.53 0.66 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 61 R 9.31 4.98 0.00 1.84 1.76 0.00 3.05 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 1.48 1.85 0.00 62 M 8.86 4.39 0.00 1.29 1.80 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 63 L 7.86 4.91 0.00 1.34 1.48 0.89 1.32 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 64 F 9.56 4.58 0.00 2.78 2.77 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 0.00 0.00 0.00 65 K 8.30 4.54 0.00 1.83 1.77 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.36 7.81 66 D 8.55 4.59 0.00 2.71 2.77 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 0.00 0.00 0.00 67 D 8.30 4.51 0.00 2.77 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 68 Y 7.32 4.93 0.00 3.10 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 69 P 0.00 4.08 0.00 2.00 1.64 0.00 3.47 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.11 0.00 70 S 8.48 4.22 0.00 4.03 4.01 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 0.00 0.00 0.00 71 S 8.03 4.84 0.00 3.97 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 72 P 0.00 3.01 0.00 1.29 0.49 0.00 3.46 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 73 P 0.00 4.05 0.00 0.88 0.49 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.00 74 K 8.22 4.15 0.00 1.59 1.52 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.26 7.81 75 C 7.93 4.60 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.97 0.00 1.56 1.65 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.46 7.81 77 F 9.78 4.91 0.00 2.97 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 78 E 9.29 4.82 0.00 1.91 1.94 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 2.30 2.40 0.00 79 P 0.00 4.71 0.00 2.37 2.18 0.00 4.15 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 2.57 2.05 0.00 80 P 0.00 4.54 0.00 2.31 2.28 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 81 L 8.24 4.35 0.00 1.28 1.44 -1.11 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.81 4.58 0.00 2.73 3.01 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 0.00 0.00 0.00 83 H 8.17 4.26 0.00 3.21 3.00 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.10 0.00 2.10 2.24 0.00 3.41 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 1.71 1.58 0.00 85 N 8.34 4.77 0.00 2.78 2.88 0.00 0.00 6.56 7.68 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 86 V 7.74 4.55 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 1.06 0.00 0.00 0.95 0.00 0.00 87 Y 8.11 4.75 0.00 3.13 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 88 P 0.00 4.69 0.00 2.10 2.19 0.00 3.83 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 89 S 8.07 4.23 0.00 3.97 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 90 G 8.83 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 0.00 0.00 0.00 91 T 7.97 4.22 4.55 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 1.26 0.00 0.00 92 V 7.96 4.43 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 0.61 0.00 0.00 0.56 0.00 0.00 93 C 8.26 4.65 0.00 2.77 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 94 L 8.06 4.51 0.00 1.61 1.37 0.87 0.74 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 95 S 9.11 4.11 0.00 3.93 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 96 I 7.78 4.34 2.13 0.00 0.00 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 1.46 0.59 1.05 0.00 0.00 97 L 7.91 4.49 0.00 1.63 1.53 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.82 4.61 0.00 2.13 1.79 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 2.26 2.28 0.00 99 E 9.06 4.24 0.00 2.07 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 0.00 2.55 2.32 0.00 100 D 7.93 4.97 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.47 4.29 0.00 1.55 1.12 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.38 7.81 102 D 8.81 4.67 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.70 4.79 0.00 3.45 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 0.00 104 R 5.84 3.94 0.00 1.39 1.36 0.00 3.04 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 105 P 0.00 4.17 0.00 1.87 2.00 0.00 3.52 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 106 A 7.83 3.97 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 107 I 6.25 3.74 1.31 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 1.08 0.28 1.13 0.00 0.00 108 T 9.28 4.92 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 1.34 0.00 0.00 109 I 8.28 3.62 1.80 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.49 0.00 0.00 110 K 8.39 4.19 0.00 2.18 1.99 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.67 7.81 111 Q 8.21 4.07 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 112 I 7.78 3.82 2.09 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 1.68 0.95 0.80 0.00 0.00 113 L 8.54 4.05 0.00 1.95 2.16 0.93 0.81 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 0.00 114 L 8.46 4.34 0.00 1.94 1.75 0.92 0.58 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 0.00 115 G 8.27 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 0.00 116 I 8.05 3.78 2.02 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.12 0.82 0.00 0.00 117 Q 7.81 3.99 0.00 2.33 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 118 E 8.20 4.05 0.00 2.12 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 2.28 2.31 0.00 119 L 7.48 3.88 0.00 1.75 1.74 0.99 0.94 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 0.00 120 L 7.01 3.16 0.00 0.62 0.13 0.57 0.47 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 0.00 121 N 7.47 4.76 0.00 2.56 2.80 0.00 0.00 6.74 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 0.00 122 E 7.31 4.71 0.00 2.03 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 2.21 0.00 123 P 0.00 4.37 0.00 1.82 1.75 0.00 3.81 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 124 N 10.00 4.56 0.00 2.54 2.78 0.00 0.00 7.29 7.70 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 0.00 125 I 7.91 3.67 1.83 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 1.03 0.00 0.00 126 Q 8.02 4.13 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.20 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 127 D 7.33 4.53 0.00 2.47 2.41 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 0.00 128 P 0.00 4.38 0.00 1.65 1.61 0.00 3.30 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 129 A 9.02 4.36 0.43 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 0.00 130 Q 7.49 4.71 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 131 A 8.79 4.08 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 0.00 132 E 8.27 3.96 0.00 2.17 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 0.00 2.75 2.56 0.00 133 A 8.19 3.82 0.80 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 0.00 0.00 134 Y 7.59 4.05 0.00 3.22 3.23 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 0.00 135 T 8.12 3.70 4.46 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 1.27 0.00 0.00 136 I 8.01 3.78 2.26 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 1.18 0.00 0.00 137 Y 7.90 3.73 0.00 2.54 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 0.00 138 C 7.52 4.17 0.00 2.81 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 0.00 139 Q 7.48 4.45 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.50 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 140 N 7.36 4.65 0.00 2.75 2.78 0.00 0.00 6.82 7.53 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 0.00 141 R 7.42 3.71 0.00 1.71 1.83 0.00 2.99 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 142 V 7.78 4.34 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 1.10 0.00 0.00 0.97 0.00 0.00 143 E 8.29 3.90 0.00 2.29 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 0.00 2.32 2.37 0.00 144 Y 8.16 4.21 0.00 3.37 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 0.00 145 E 8.72 3.92 0.00 2.18 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 2.44 2.70 0.00 146 K 8.07 3.67 0.00 1.77 1.97 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.43 7.81 147 R 8.04 3.65 0.00 1.32 0.99 0.00 3.11 0.00 0.00 2.66 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.38 0.00 148 V 7.50 3.06 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 -0.10 0.00 0.00 0.26 0.00 0.00 149 R 7.67 3.73 0.00 1.81 1.87 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 150 A 7.90 3.85 1.25 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 0.00 0.00 151 Q 8.00 4.01 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.06 2.31 0.00 152 A 7.45 4.37 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 0.00 153 K 8.61 4.05 0.00 1.79 1.83 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 154 K 8.12 4.10 0.00 2.10 2.27 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.42 7.81 155 F 8.62 4.12 0.00 2.89 2.99 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 0.00 156 A 7.24 4.87 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 0.00 157 P 0.00 4.09 0.00 2.17 2.09 0.00 3.88 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 158 S 8.56 4.31 0.00 3.81 3.73 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