NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1401 8.0549 114.0557 60.9922 33.0213 175.0918 2 L 3.9401 8.2732 124.5692 52.3985 42.3627 176.0291 3 S 4.5206 9.1067 118.6137 57.7434 66.2744 174.8408 4 E 4.3098 8.7386 121.4890 59.3608 29.3878 178.6937 5 G 3.6047 8.0890 105.4709 47.6573 0.0000 175.4835 6 E 3.9723 8.0587 120.7511 59.0075 29.4062 179.3510 7 W 4.3819 8.1728 119.0629 59.8596 29.0449 178.5385 8 Q 4.1331 8.6257 118.3519 59.0296 28.1052 178.8668 9 L 4.0698 7.9040 119.5530 57.7062 41.6479 179.8149 10 V 3.7437 7.8591 117.9449 66.1742 31.6182 178.0485 11 L 4.3681 8.4126 118.2544 57.2348 41.3042 178.9216 12 H 4.1671 8.3230 118.2402 59.2992 30.1866 177.1413 13 V 3.6986 7.8469 119.7957 65.6676 31.3655 177.7626 14 W 3.8209 8.5303 128.0245 60.2671 30.3136 177.7806 15 A 4.0415 7.9903 119.9223 54.6825 18.0530 179.5309 16 K 3.9326 7.8271 117.5058 59.5112 32.1423 179.5570 17 V 2.9049 7.0616 117.9339 65.7246 31.0078 177.3068 18 E 3.9398 7.6335 115.9583 57.8572 29.3813 178.4337 19 A 4.1793 7.4386 120.5256 53.9157 20.0732 177.6858 20 D 4.6643 7.8474 115.9768 52.4067 43.0718 175.6427 21 V 3.4485 7.8047 123.1283 65.7254 32.1082 176.8411 22 A 4.0677 7.9532 120.2246 54.9326 18.2788 179.7288 23 G 3.4914 8.4262 104.4640 48.1163 0.0000 175.7894 24 H 4.1459 8.2099 118.6025 58.5453 28.6732 178.1800 25 G 3.5600 8.3626 107.8329 47.6640 0.0000 175.7161 26 Q 3.9009 7.9974 120.4391 59.0048 28.7897 178.7856 27 D 4.2960 7.9245 119.6710 57.3530 40.7415 179.1456 28 I 3.6594 7.6521 120.2354 64.3348 37.0945 178.4877 29 L 3.3961 7.7504 119.7868 57.5870 41.2696 179.7057 30 I 3.6026 7.6197 119.7504 64.1475 36.9434 178.2834 31 R 3.7852 7.9315 119.6056 59.3597 29.7837 178.1039 32 L 3.9135 7.8020 119.9566 58.4811 41.8428 179.0974 33 F 4.5630 8.0950 117.6600 60.3518 38.5806 178.0802 34 K 4.0302 8.1635 117.8420 59.5186 31.9672 179.3250 35 S 4.3277 8.0957 114.6659 60.1116 63.9955 174.1937 36 H 4.6073 8.2084 119.3009 52.0917 29.2234 171.9871 37 P 4.5684 0.0000 0.0000 64.5108 30.9199 177.5099 38 E 4.0971 8.2917 116.4196 59.5795 29.2893 179.1754 39 T 3.9857 8.0940 110.7324 64.3691 68.8302 176.4055 40 L 3.6712 7.9302 123.0690 57.6871 41.8310 178.1681 41 E 4.0863 7.7495 117.0318 58.3458 29.6039 178.1215 42 K 4.4125 8.0506 116.7777 56.9494 32.7979 176.5346 43 F 4.5206 8.0700 119.0098 55.3297 39.0311 175.7292 44 D 4.4202 8.6519 127.4576 57.2262 40.7935 179.2377 45 R 4.0548 7.7414 113.1646 57.4898 30.0521 176.7175 46 F 5.0435 7.6616 116.0779 57.0410 40.2155 177.2213 47 K 3.9840 7.7849 120.2180 59.5157 31.9032 177.8548 48 H 4.3857 8.1372 112.4218 56.9704 28.9350 175.1849 49 L 4.1645 7.6386 121.6091 54.4140 41.4804 176.5512 50 K 4.3872 9.7255 124.2776 56.7089 33.8528 176.8149 51 T 4.7304 7.4923 107.8813 59.0024 73.1291 174.2738 52 E 3.9429 8.5854 120.7709 59.1774 29.5853 178.5500 53 A 3.9695 7.9054 120.6384 55.1140 18.2960 179.2797 54 E 3.9632 8.0717 116.2793 59.6547 29.6920 179.2519 55 M 4.1520 8.0426 118.8372 58.4056 31.8715 179.0025 56 K 3.9811 8.1825 117.1574 58.7784 32.2508 178.3495 57 A 4.4861 7.4404 118.5739 51.5234 19.4529 176.9688 58 S 4.3172 7.3685 113.6430 57.3478 62.7451 174.4985 59 E 4.0321 8.8368 129.2126 59.0892 29.4472 178.0569 60 D 4.4195 8.1160 117.9673 57.1937 41.4039 177.5706 61 L 3.5237 8.1003 120.9028 58.0701 42.1013 178.9000 62 K 3.8853 7.9426 119.0088 59.4935 32.1466 178.9175 63 K 4.0510 8.4072 118.9437 59.8463 31.9825 179.0599 64 H 4.4456 8.6512 116.5786 58.4120 28.6421 178.0481 65 G 3.6192 8.3919 108.1497 47.6942 0.0000 175.9444 66 V 3.6502 7.7853 120.2425 65.9776 31.5765 178.1973 67 T 3.8804 7.7936 115.0703 66.6856 68.3295 176.7225 68 V 3.6758 7.8908 119.9293 66.2016 31.5570 178.1410 69 L 4.2945 8.1029 118.6072 57.9197 41.5010 179.5987 70 T 3.9788 8.3473 116.0231 66.4843 68.3129 176.5891 71 A 4.0714 8.0214 122.3731 54.8397 18.3951 179.4911 72 L 3.8097 8.2343 119.1814 58.0828 42.2383 179.3613 73 G 3.2166 8.4357 105.7837 47.6798 0.0000 175.4781 74 A 4.0241 7.7079 122.0022 54.8092 18.5719 179.6389 75 I 3.8086 7.3926 118.0241 64.5480 37.2354 178.4622 76 L 3.9291 7.8005 120.0398 57.7383 41.1997 179.3123 77 K 4.0632 7.5569 115.6969 57.7153 32.3537 178.5342 78 K 3.9749 7.9999 118.7816 55.7047 33.0998 176.1760 79 K 2.0000 7.9701 118.3335 56.5473 29.4670 175.7675 80 G 3.7901 7.5427 102.0570 46.3867 0.0000 173.3864 81 H 4.7443 7.8266 117.7884 54.7077 27.7860 174.1813 82 H 5.0963 7.3814 112.2020 55.2349 29.9017 177.1004 83 E 3.9613 8.5038 121.5375 60.4170 29.0496 178.7604 84 A 4.0352 7.9149 118.7600 55.2509 17.2225 179.0643 85 E 4.0903 8.0902 116.6733 59.2730 29.6109 178.9580 86 L 4.3197 8.2400 120.5590 57.5388 42.1815 178.8096 87 K 3.9454 8.0056 119.6654 59.0448 32.2088 177.1572 88 P 4.3033 0.0000 0.0000 65.1021 31.2702 178.4406 89 L 3.9959 7.4897 117.7097 58.1843 42.0142 178.9202 90 A 4.1310 8.3329 121.1045 55.2226 18.2614 179.6055 91 Q 3.8239 8.2299 116.8591 59.1283 28.7559 179.2659 92 S 4.0103 8.0375 115.1741 61.6794 63.1138 176.1419 93 H 4.3190 8.5784 119.3001 57.8297 27.1260 177.6709 94 A 2.9654 7.9873 123.4954 54.7144 17.9625 179.3434 95 T 3.8256 7.2543 106.0577 62.4741 69.5696 175.7693 96 K 4.1103 7.4170 121.1227 58.6345 32.9200 177.2253 97 H 4.2614 8.0176 114.5571 56.3582 29.3951 175.5047 98 K 3.7605 6.9339 115.3148 57.3749 29.3501 175.9220 99 I 4.2681 7.8728 118.8260 58.6627 38.8971 175.1026 100 P 4.6273 0.0000 0.0000 62.2065 32.2378 177.3720 101 I 3.4912 8.3606 120.5669 64.4534 36.8411 178.4163 102 K 3.6654 7.9060 119.9841 59.7823 31.9316 178.2255 103 Y 4.0592 8.0116 116.7719 60.7179 37.7527 178.1035 104 L 4.2197 7.8745 119.9799 57.3004 41.6415 179.0380 105 E 3.9629 7.9038 119.2856 59.1484 29.7860 178.5884 106 F 4.4723 7.7318 117.8756 60.8749 38.9452 177.6016 107 I 3.8718 8.1465 118.0356 63.8271 37.7084 178.0031 108 S 4.1712 8.2223 116.4588 61.8276 62.7423 176.5686 109 E 4.1012 8.4058 120.8494 59.2247 29.0764 179.3377 110 A 4.0753 7.9923 120.8032 54.9945 18.4490 179.7338 111 I 3.6682 8.1099 118.6524 64.7554 37.2723 178.8158 112 I 3.8856 7.8915 120.6425 64.4309 36.8885 178.0602 113 H 4.1597 8.4486 119.3207 59.3304 29.7322 177.5898 114 V 3.5713 8.0458 120.1947 65.8909 31.3112 177.9918 115 L 3.7817 7.8977 118.8714 57.8726 41.0433 178.9820 116 H 4.4108 7.7900 116.9760 59.1135 29.8753 177.2964 117 S 4.1890 7.8050 116.3266 61.7057 62.8059 176.4952 118 R 4.0431 7.7659 118.8709 57.7411 31.0330 176.5202 119 H 5.0018 8.1791 115.6374 53.4331 29.8420 172.7378 120 P 4.1764 0.0000 0.0000 66.0464 31.2934 178.9076 121 G 3.7323 8.0639 105.7598 47.0506 0.0000 173.6539 122 D 4.9001 8.3108 117.9522 54.1627 41.7419 176.1023 123 F 4.9706 7.9842 120.8600 56.5862 39.6778 174.4810 124 G 3.9286 7.6601 108.6973 44.0298 0.0000 172.0768 125 A 3.8774 8.4440 120.8001 55.1383 18.3701 179.7243 126 D 4.2124 7.9485 116.9910 56.5733 39.4695 178.5867 127 A 3.9090 7.7269 121.8577 54.6705 18.3880 179.0892 128 Q 3.1714 7.6874 118.3950 59.0572 29.0277 178.9269 129 G 3.4792 8.3495 106.8805 47.6660 0.0000 175.6032 130 A 3.8844 7.8652 123.1092 55.0175 18.3003 179.4605 131 M 4.0027 8.3275 117.0614 58.7388 32.3200 177.9380 132 N 4.3168 8.4782 117.5533 56.6431 39.0964 177.0418 133 K 4.0533 8.1062 119.7243 59.3063 32.0921 179.1967 134 A 3.8676 8.0190 121.1945 55.1893 18.3138 179.7451 135 L 4.0766 8.2633 117.6393 57.6701 41.5711 179.5700 136 E 4.0074 8.4478 118.9902 59.2215 29.3176 178.9604 137 L 3.9641 8.0929 120.4112 58.0794 42.2518 178.5379 138 F 4.1476 8.2944 120.5791 61.7308 39.1986 177.4619 139 R 3.6449 8.1915 117.3970 58.8734 29.9722 178.9593 140 K 3.8493 8.3204 119.8201 59.7198 32.0734 178.7045 141 D 4.3893 8.3395 119.3046 57.1524 40.5841 178.8919 142 I 3.5609 7.4153 120.1789 64.1353 37.0410 178.2946 143 A 3.6366 8.0109 121.5153 54.7633 18.1758 179.5800 144 A 3.9662 7.8462 119.2583 55.1408 18.3529 180.0609 145 K 3.9850 7.7621 117.1343 59.7242 32.1257 179.0593 146 Y 4.1496 8.4460 117.3576 61.0287 37.9155 178.6825 147 K 3.9261 8.3184 120.3566 59.5498 32.1055 177.9532 148 E 3.9314 7.8136 117.9399 59.6962 29.6085 178.6589 149 L 4.3479 7.6662 115.5317 55.6788 41.8355 177.8920 150 G 3.9474 7.9804 107.2359 45.5850 0.0000 173.7452 151 Y 4.2438 7.8939 116.8449 58.3117 39.6116 178.0051 152 Q 3.4399 7.4639 119.6059 56.8232 26.3918 176.5159 153 G 4.2310 8.9555 109.7404 45.4290 0.0000 171.0169 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 V 8.05 4.14 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 0.93 0.00 0.00 0.94 0.00 0.00 2 L 8.27 3.94 0.00 0.75 0.67 0.50 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.11 4.52 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 4.31 0.00 2.19 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 2.43 2.52 0.00 5 G 8.09 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 0.00 0.00 0.00 6 E 8.06 3.97 0.00 1.94 1.73 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 2.21 2.26 0.00 7 W 8.17 4.38 0.00 3.55 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 8 Q 8.63 4.13 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 9 L 7.90 4.07 0.00 1.88 1.76 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.86 3.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.91 0.00 0.00 11 L 8.41 4.37 0.00 1.87 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.32 4.17 0.00 3.31 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 3.70 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 0.81 0.00 0.00 1.40 0.00 0.00 14 W 8.53 3.82 0.00 3.72 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 15 A 7.99 4.04 1.39 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 16 K 7.83 3.93 0.00 1.57 1.57 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.45 7.81 17 V 7.06 2.90 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 0.00 0.00 -0.02 0.00 0.00 0.17 0.00 0.00 18 E 7.63 3.94 0.00 2.01 1.93 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 2.24 2.17 0.00 19 A 7.44 4.18 1.28 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 0.00 0.00 20 D 7.85 4.66 0.00 2.70 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 21 V 7.80 3.45 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 0.90 0.00 0.00 22 A 7.95 4.07 1.30 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 0.00 0.00 23 G 8.43 3.49 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 0.00 0.00 0.00 0.00 24 H 8.21 4.15 0.00 3.28 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.36 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.90 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 27 D 7.92 4.30 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 28 I 7.65 3.66 1.81 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 1.50 0.61 0.87 0.00 0.00 29 L 7.75 3.40 0.00 1.34 0.90 0.72 0.39 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 30 I 7.62 3.60 1.85 0.00 0.00 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 1.36 0.58 0.87 0.00 0.00 31 R 7.93 3.79 0.00 1.89 2.01 0.00 3.11 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 32 L 7.80 3.91 0.00 1.74 1.43 1.04 0.93 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 33 F 8.10 4.56 0.00 3.01 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 K 8.16 4.03 0.00 1.77 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 35 S 8.10 4.33 0.00 3.68 3.64 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 36 H 8.21 4.61 0.00 3.00 2.89 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.29 4.10 0.00 2.28 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 0.00 2.25 2.51 0.00 39 T 8.09 3.99 4.47 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 0.85 0.00 0.00 40 L 7.93 3.67 0.00 1.45 1.76 0.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.09 0.00 2.20 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 2.37 2.44 0.00 42 K 8.05 4.41 0.00 1.72 1.53 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.88 7.81 43 F 8.07 4.52 0.00 3.23 2.82 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 0.00 0.00 0.00 44 D 8.65 4.42 0.00 2.67 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 45 R 7.74 4.05 0.00 1.64 1.84 0.00 2.75 0.00 0.00 2.84 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 46 F 7.66 5.04 0.00 2.92 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 47 K 7.78 3.98 0.00 1.81 1.91 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.46 7.81 48 H 8.14 4.39 0.00 3.29 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.64 4.16 0.00 1.63 1.58 0.82 0.63 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 50 K 9.73 4.39 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 51 T 7.49 4.73 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 1.21 0.00 0.00 52 E 8.59 3.94 0.00 2.04 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 0.00 2.35 2.35 0.00 53 A 7.91 3.97 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 54 E 8.07 3.96 0.00 2.11 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 2.35 2.35 0.00 55 M 8.04 4.15 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 56 K 8.18 3.98 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.67 7.81 57 A 7.44 4.49 1.34 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 0.00 0.00 58 S 7.37 4.32 0.00 3.86 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 59 E 8.84 4.03 0.00 2.14 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 0.00 2.40 2.46 0.00 60 D 8.12 4.42 0.00 2.97 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 61 L 8.10 3.52 0.00 1.37 1.67 0.24 0.26 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 62 K 7.94 3.89 0.00 1.88 1.97 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 63 K 8.41 4.05 0.00 2.21 1.90 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 64 H 8.65 4.45 0.00 3.63 3.59 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 3.62 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 0.00 0.00 0.00 66 V 7.79 3.65 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 1.12 0.00 0.00 0.99 0.00 0.00 67 T 7.79 3.88 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 1.28 0.00 0.00 68 V 7.89 3.68 2.27 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 1.11 0.00 0.00 1.15 0.00 0.00 69 L 8.10 4.29 0.00 1.83 1.89 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.35 3.98 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 1.26 0.00 0.00 71 A 8.02 4.07 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 72 L 8.23 3.81 0.00 1.73 1.60 0.17 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 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 0.00 0.00 0.00 74 A 7.71 4.02 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 75 I 7.39 3.81 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.95 0.00 0.00 76 L 7.80 3.93 0.00 1.32 1.53 -0.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.56 4.06 0.00 1.68 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.47 7.81 78 K 8.00 3.97 0.00 1.85 1.81 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.75 7.81 79 K 7.97 2.00 0.00 1.20 0.74 0.00 1.59 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.81 7.81 80 G 7.54 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 81 H 7.83 4.74 0.00 3.10 3.21 0.00 5.80 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 82 H 7.38 5.10 0.00 3.26 3.43 0.00 5.49 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.50 3.96 0.00 2.09 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 2.42 2.47 0.00 84 A 7.91 4.04 1.30 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 0.00 0.00 85 E 8.09 4.09 0.00 2.24 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 2.40 2.43 0.00 86 L 8.24 4.32 0.00 1.79 1.64 0.71 0.44 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 87 K 8.01 3.95 0.00 2.06 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.49 7.81 88 P 0.00 4.30 0.00 2.22 2.09 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 2.12 2.14 0.00 89 L 7.49 4.00 0.00 1.75 1.82 1.08 0.82 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 90 A 8.33 4.13 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 91 Q 8.23 3.82 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 92 S 8.04 4.01 0.00 3.96 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 93 H 8.58 4.32 0.00 3.47 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.99 2.97 0.09 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 95 T 7.25 3.83 4.12 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 0.86 0.00 0.00 96 K 7.42 4.11 0.00 1.55 1.56 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.22 1.35 7.81 97 H 8.02 4.26 0.00 3.03 3.21 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.93 3.76 0.00 1.83 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 99 I 7.87 4.27 2.05 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 1.43 1.02 1.08 0.00 0.00 100 P 0.00 4.63 0.00 1.96 2.01 0.00 2.87 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.39 0.00 101 I 8.36 3.49 1.75 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.74 0.00 0.00 102 K 7.91 3.67 0.00 1.74 1.68 0.00 1.48 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 0.70 7.81 103 Y 8.01 4.06 0.00 3.17 3.07 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 0.00 104 L 7.87 4.22 0.00 1.84 1.83 0.67 0.90 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 0.00 105 E 7.90 3.96 0.00 1.95 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 0.00 2.45 2.43 0.00 106 F 7.73 4.47 0.00 3.24 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 I 8.15 3.87 2.01 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 1.57 1.64 1.05 0.00 0.00 108 S 8.22 4.17 0.00 4.19 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 0.00 109 E 8.41 4.10 0.00 2.27 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 2.65 2.60 0.00 110 A 7.99 4.08 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 0.00 111 I 8.11 3.67 2.09 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 1.59 1.02 1.03 0.00 0.00 112 I 7.89 3.89 2.00 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 1.71 1.11 1.14 0.00 0.00 113 H 8.45 4.16 0.00 3.40 3.48 0.00 5.78 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 0.00 114 V 8.05 3.57 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 0.89 0.00 0.00 0.99 0.00 0.00 115 L 7.90 3.78 0.00 0.78 0.42 0.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.79 4.41 0.00 3.47 3.55 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.19 0.00 3.94 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 0.00 118 R 7.77 4.04 0.00 1.47 1.53 0.00 2.64 0.00 0.00 2.85 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 119 H 8.18 5.00 0.00 3.17 3.19 0.00 5.65 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 0.00 120 P 0.00 4.18 0.00 2.19 2.26 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 121 G 8.06 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 0.00 0.00 0.00 122 D 8.31 4.90 0.00 2.75 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 0.00 123 F 7.98 4.97 0.00 3.01 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 0.00 124 G 7.66 3.93 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 0.00 0.00 0.00 125 A 8.44 3.88 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 0.00 126 D 7.95 4.21 0.00 2.83 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 0.00 127 A 7.73 3.91 1.28 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 0.00 0.00 128 Q 7.69 3.17 0.00 1.43 1.99 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 2.24 2.27 0.00 129 G 8.35 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.87 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 0.00 131 M 8.33 4.00 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.85 0.00 132 N 8.48 4.32 0.00 2.94 2.92 0.00 0.00 7.23 7.81 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 0.00 133 K 8.11 4.05 0.00 1.87 1.66 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 A 8.02 3.87 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 0.00 135 L 8.26 4.08 0.00 1.73 1.77 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.45 4.01 0.00 2.17 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 0.00 2.35 2.62 0.00 137 L 8.09 3.96 0.00 1.81 1.96 0.99 1.01 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 0.00 138 F 8.29 4.15 0.00 3.10 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 0.00 139 R 8.19 3.64 0.00 2.18 1.89 0.00 3.15 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 140 K 8.32 3.85 0.00 1.90 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.34 4.39 0.00 2.77 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 0.00 142 I 7.42 3.56 1.50 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.01 0.34 0.00 0.00 143 A 8.01 3.64 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 0.00 144 A 7.85 3.97 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 0.00 145 K 7.76 3.98 0.00 2.11 1.97 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.45 4.15 0.00 3.10 3.15 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 0.00 147 K 8.32 3.93 0.00 1.98 2.02 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.81 3.93 0.00 2.06 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 2.36 2.40 0.00 149 L 7.67 4.35 0.00 1.82 1.94 0.82 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.98 3.95 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 0.00 0.00 0.00 151 Y 7.89 4.24 0.00 2.60 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 0.00 152 Q 7.46 3.44 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 153 G 8.96 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 0.00 0.00 0.00 0.00