NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1238 8.0549 120.3113 61.4166 32.7664 174.5579 2 L 4.3919 8.2026 122.5145 51.5272 43.1589 175.7851 3 S 4.4749 8.9180 118.0362 57.8476 66.1106 174.8466 4 E 4.2431 8.8661 122.7141 59.4700 29.3411 179.1245 5 G 3.6401 8.0944 105.2696 47.8524 0.0000 175.3295 6 E 3.9093 8.4298 121.4954 58.9278 29.3819 179.3714 7 W 4.2694 8.1962 119.0980 60.1296 29.0838 178.6126 8 Q 4.1401 8.4914 117.7555 58.5502 28.2014 178.6612 9 L 4.0327 8.0757 120.5373 57.6173 41.6439 179.5023 10 V 3.7495 7.8572 118.1633 66.3131 31.5788 178.2160 11 L 4.3091 8.4799 118.6552 57.6496 40.9162 179.0623 12 H 4.2067 8.6057 119.0968 59.2296 29.8564 177.7295 13 V 3.4504 7.9965 120.8597 64.4754 31.2478 178.1703 14 W 3.7321 8.4498 128.7902 59.9272 30.2498 177.8137 15 A 3.9874 7.9538 120.2094 54.7541 18.1442 179.3827 16 K 3.9647 7.3544 117.0989 59.1466 32.0190 179.5489 17 V 2.7573 7.1145 118.6119 65.8077 31.0711 177.7348 18 E 3.9502 7.7646 115.5032 57.9425 29.3624 178.1179 19 A 4.3208 7.4125 119.5951 52.6915 20.4622 177.5798 20 D 4.6645 7.8663 116.0465 52.1807 43.1662 175.6419 21 V 3.4785 7.8167 123.1936 65.7244 32.0373 176.8338 22 A 4.0518 7.9630 120.2264 54.9103 18.3153 179.7416 23 G 3.4366 8.3242 104.3173 48.2989 0.0000 175.7437 24 H 4.1617 8.2936 119.1686 58.3723 28.5986 178.1851 25 G 3.5511 8.3737 107.8925 47.8505 0.0000 175.8559 26 Q 3.9140 8.2539 120.5690 58.7084 28.7465 178.4415 27 D 4.2888 8.0639 119.8696 57.3913 40.8684 178.9571 28 I 3.6555 7.8528 120.3227 64.4758 37.0503 178.6154 29 L 3.5096 7.9600 119.9000 57.4993 41.3294 179.6484 30 I 3.7495 7.9610 120.2619 64.1803 36.9417 178.3541 31 R 3.8022 7.9655 119.5898 59.2482 29.8927 178.2997 32 L 3.8842 7.6636 119.9305 58.3881 42.1786 179.0848 33 F 4.7305 8.0642 117.8635 60.3841 38.5254 177.7788 34 K 4.1279 8.1203 117.5892 59.1834 32.0953 179.2227 35 S 4.2471 8.1054 114.9598 60.5684 64.2908 174.6055 36 H 4.7175 8.4627 118.4197 51.9704 29.5373 171.6930 37 P 4.7833 0.0000 0.0000 64.8378 31.5656 177.6145 38 E 4.3311 8.5649 117.3123 58.9881 29.3088 179.1716 39 T 3.6973 8.0158 110.7657 64.5129 68.6759 176.1384 40 L 3.7585 8.0366 122.9508 57.6016 41.8798 178.5742 41 E 4.0035 8.1242 118.5550 58.8298 29.1117 178.7190 42 K 4.3196 7.7392 116.5901 56.7999 32.7232 177.0177 43 F 4.3690 7.6487 119.1760 55.1987 38.6364 175.8018 44 D 4.4166 8.2619 125.8509 56.6789 40.9559 178.4225 45 R 4.2704 7.8560 117.1051 58.2745 30.6626 177.6225 46 F 5.0106 7.8939 112.3808 56.6998 38.5971 176.2171 47 K 4.0061 8.0863 120.9311 59.7912 32.5077 177.0004 48 H 4.5411 8.0020 115.3972 56.0506 29.2108 175.4601 49 L 4.2787 7.5401 120.0793 54.8814 42.0527 176.9747 50 K 4.4074 9.3870 119.6259 56.7580 35.6056 177.6707 51 T 4.5068 7.7484 108.2048 60.0925 71.9335 175.1535 52 E 3.9291 8.5792 121.4812 59.4041 29.6366 178.7064 53 A 3.9705 7.9620 120.3620 55.2456 18.3564 179.3302 54 E 3.9520 8.3943 117.1336 59.7260 29.2750 179.5128 55 M 4.0632 7.9414 118.0292 58.3552 32.1104 178.7127 56 K 4.0746 8.1886 117.7116 59.0430 32.2873 178.7873 57 A 4.2383 7.7740 119.7034 52.6545 19.0212 177.5575 58 S 4.1492 7.3404 114.0856 57.8866 63.1298 174.6229 59 E 3.9397 8.8211 128.4104 59.3575 29.4211 178.3973 60 D 4.3786 7.9621 118.6022 57.1766 40.9333 178.3822 61 L 2.8269 7.5281 120.8209 57.4936 42.0474 178.8103 62 K 3.8080 7.8827 119.5558 59.5798 32.1165 178.9109 63 K 3.9998 8.3739 119.1130 59.6882 31.9088 178.8998 64 H 4.3756 8.6262 119.0239 59.0747 29.8048 177.4855 65 G 3.5888 8.2018 107.7523 47.8193 0.0000 175.8528 66 V 3.6322 7.7733 120.5135 65.9181 31.5917 178.1875 67 T 3.8747 8.0470 115.5815 66.6202 68.2427 176.5467 68 V 3.5890 7.8047 119.9693 66.2953 31.5089 178.1310 69 L 4.2693 8.0963 118.3772 57.6798 41.5823 179.5502 70 T 3.9249 8.3609 116.1834 66.6720 68.4512 176.4721 71 A 3.9987 7.9656 122.5073 55.0890 18.3462 179.4879 72 L 3.7405 8.3019 119.3435 57.9319 42.0847 179.4162 73 G 3.0424 8.4554 105.9406 47.4301 0.0000 175.4771 74 A 3.9610 7.5358 121.7405 54.8982 18.7192 179.5130 75 I 3.7485 7.6542 118.1427 64.6202 37.1308 178.7594 76 L 4.0111 7.7700 119.9064 57.6197 41.1571 179.5916 77 K 3.9764 7.8111 117.1083 58.4393 32.2079 178.6866 78 K 3.9622 7.8063 118.0591 56.0339 32.4994 176.6212 79 K 2.0000 8.4977 118.8239 56.3235 29.8928 175.5880 80 G 3.8407 7.5854 106.1789 45.7050 0.0000 173.8257 81 H 4.4072 7.5710 121.9174 55.2288 28.2455 174.2556 82 H 5.4213 7.3637 112.5715 53.9256 29.7372 176.0214 83 E 3.8783 8.3897 123.0134 59.9755 28.9681 178.5650 84 A 3.9811 7.8612 119.3511 55.2861 17.2485 179.0163 85 E 4.0945 8.0821 116.5862 59.4484 29.6145 179.3542 86 L 4.3235 8.2233 119.2580 57.1909 41.6151 179.0115 87 K 3.8320 8.2470 120.2644 59.3108 32.1505 176.9924 88 P 4.3094 0.0000 0.0000 65.6329 31.1470 178.1229 89 L 3.9588 7.5050 118.5217 58.0452 42.0393 178.7727 90 A 4.0790 8.3816 121.1891 54.9756 18.2599 179.2559 91 Q 3.9297 8.1425 118.4551 59.6108 29.1551 178.9840 92 S 4.1101 8.0958 115.0638 61.7356 63.1841 176.0527 93 H 4.2548 8.7536 119.5967 58.1200 28.1942 177.4606 94 A 2.9123 8.3241 122.6408 53.8464 18.8078 178.7589 95 T 4.1879 7.6274 105.5055 61.7140 69.7000 174.5842 96 K 4.2439 7.4115 119.5051 58.3716 34.0364 176.7747 97 H 4.2282 8.2281 114.9467 56.5119 29.2287 175.6578 98 K 2.9131 7.3759 116.9776 56.8538 28.5764 174.0417 99 I 4.2648 7.7030 118.1220 58.7433 38.2072 174.8177 100 P 4.4226 0.0000 0.0000 62.2740 32.0631 177.7463 101 I 3.8175 8.2314 122.2093 64.5554 36.9415 179.0369 102 K 3.9954 7.8103 120.3637 59.5325 32.2291 178.7091 103 Y 4.1423 7.9196 117.9246 60.8004 37.7705 178.0163 104 L 4.2070 8.0456 119.5996 57.7903 41.4361 179.2359 105 E 4.0023 8.3228 118.5388 59.5042 29.5660 179.2412 106 F 4.6832 7.9531 117.8068 60.9816 38.9090 177.6416 107 I 3.9258 8.2483 117.9165 63.8227 37.7881 178.0356 108 S 4.2230 8.2961 116.4702 61.6455 62.5960 176.4273 109 E 4.0792 8.5476 121.0598 59.3645 29.1523 179.3014 110 A 4.0225 7.9982 120.5418 55.0501 18.3565 179.6707 111 I 3.6556 8.1225 118.6191 64.6994 37.2571 178.6444 112 I 3.7836 7.8922 120.4610 64.6204 36.9028 177.8627 113 H 4.0883 8.4541 119.0755 59.4363 29.6531 177.4876 114 V 3.5154 7.9943 119.9904 65.8928 31.3510 177.8730 115 L 3.7187 7.9121 118.9416 57.9378 41.0834 179.0922 116 H 4.4101 7.8772 117.0261 59.4208 29.9329 177.1840 117 S 4.1127 7.9008 116.0268 61.4787 62.7321 176.3959 118 R 4.0950 8.0040 119.3789 57.3830 31.0777 176.3289 119 H 5.0586 8.1694 116.0832 54.1841 29.5452 173.2652 120 P 4.3089 0.0000 0.0000 65.5352 32.0220 178.2448 121 G 3.9025 8.4182 107.7933 48.0475 0.0000 173.5885 122 D 4.8765 8.0318 114.7407 52.4121 40.6445 176.3618 123 F 4.5279 8.4967 124.5328 57.3022 38.0935 175.8783 124 G 4.0256 7.4666 111.5355 43.1824 0.0000 170.0504 125 A 3.9957 8.4019 120.4125 55.2473 18.2314 179.9551 126 D 4.1349 7.8394 116.6470 57.4437 41.0324 178.6571 127 A 3.8335 7.6430 120.7725 55.0681 18.3351 179.2740 128 Q 3.3442 7.8706 118.5891 58.9456 28.9681 178.7440 129 G 3.4672 8.1939 106.8509 47.6041 0.0000 175.6166 130 A 3.7844 8.0567 123.4144 55.0257 18.3142 179.4250 131 M 3.9882 8.3015 117.0756 58.7488 32.2750 178.0582 132 N 4.3567 8.4060 116.8607 56.4373 38.6814 177.5384 133 K 3.9175 8.2178 119.6230 59.3759 32.0540 179.3312 134 A 3.9976 8.0488 121.2314 55.1992 18.1936 179.7306 135 L 4.1074 8.3838 117.8633 57.7024 41.6090 179.2819 136 E 3.9731 8.5356 119.7561 59.0105 29.5083 178.6290 137 L 3.9682 8.3196 120.7408 58.0491 42.1491 178.4354 138 F 4.1490 8.5115 120.7758 61.7793 39.1911 177.4686 139 R 3.4351 8.3981 117.7041 58.6307 29.7735 178.9154 140 K 3.8171 8.2997 119.9770 59.7763 32.2905 178.6206 141 D 4.3593 8.1973 119.0252 56.9287 40.6769 178.9467 142 I 3.2941 7.5169 120.4553 64.1014 37.0223 178.0619 143 A 3.7631 7.8188 121.6406 55.2260 18.1400 179.5656 144 A 3.9421 7.9043 119.0693 55.2196 18.3480 180.0942 145 K 3.9868 7.9532 116.9500 59.5420 32.1105 178.9762 146 Y 4.5067 8.2665 117.5630 61.5471 37.9955 179.2749 147 K 4.0819 8.3641 119.0038 59.3407 31.8637 179.3228 148 E 4.0172 8.1116 118.3643 59.3314 29.5260 178.8051 149 L 4.3078 8.1202 116.7403 55.3465 41.9260 178.0659 150 G 3.8660 7.8393 107.0835 45.3460 0.0000 172.5655 151 Y 4.3712 8.1504 122.0706 56.9974 38.9126 175.5020 152 Q 4.3296 8.1556 125.3459 55.4351 29.5626 175.9530 153 G 3.4006 5.3800 113.0305 45.0320 0.0000 173.8977 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 4.12 2.12 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 0.93 0.00 0.00 0.99 0.00 0.00 2 L 8.20 4.39 0.00 1.04 0.92 0.56 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.92 4.47 0.00 4.06 3.98 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 4 E 8.87 4.24 0.00 2.19 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 2.43 2.51 0.00 5 G 8.09 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 0.00 0.00 0.00 6 E 8.43 3.91 0.00 2.04 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 2.22 2.27 0.00 7 W 8.20 4.27 0.00 3.56 3.24 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 8 Q 8.49 4.14 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 9 L 8.08 4.03 0.00 1.86 1.72 0.86 0.58 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 10 V 7.86 3.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.89 0.00 0.00 11 L 8.48 4.31 0.00 1.85 1.82 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.61 4.21 0.00 3.38 3.54 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.00 3.45 2.35 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 1.05 0.00 0.00 0.92 0.00 0.00 14 W 8.45 3.73 0.00 3.72 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 15 A 7.95 3.99 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 16 K 7.35 3.96 0.00 1.52 1.62 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.46 7.81 17 V 7.11 2.76 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 0.05 0.00 0.00 0.08 0.00 0.00 18 E 7.76 3.95 0.00 2.02 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 2.39 0.00 19 A 7.41 4.32 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 20 D 7.87 4.66 0.00 2.61 2.53 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 21 V 7.82 3.48 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 0.91 0.00 0.00 22 A 7.96 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.32 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.16 0.00 3.16 3.20 0.00 5.63 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 8.37 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 26 Q 8.25 3.91 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 D 8.06 4.29 0.00 2.84 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 7.85 3.66 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.89 0.00 0.00 29 L 7.96 3.51 0.00 1.49 1.21 0.93 0.69 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 30 I 7.96 3.75 1.89 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 1.44 0.69 0.96 0.00 0.00 31 R 7.97 3.80 0.00 1.95 2.10 0.00 3.02 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.66 3.88 0.00 1.68 1.39 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.06 4.73 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.12 4.13 0.00 1.72 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.69 7.81 35 S 8.11 4.25 0.00 3.84 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 36 H 8.46 4.72 0.00 2.96 2.82 0.00 5.64 0.00 0.00 0.00 0.00 6.88 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 4.78 0.00 2.16 2.12 0.00 3.85 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 2.10 2.12 0.00 38 E 8.56 4.33 0.00 2.27 2.30 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 2.47 2.43 0.00 39 T 8.02 3.70 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 40 L 8.04 3.76 0.00 1.35 1.70 0.09 0.80 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 41 E 8.12 4.00 0.00 2.20 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 2.31 2.42 0.00 42 K 7.74 4.32 0.00 1.32 1.30 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.76 7.81 43 F 7.65 4.37 0.00 2.08 1.52 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 44 D 8.26 4.42 0.00 2.63 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 45 R 7.86 4.27 0.00 1.99 2.35 0.00 3.32 0.00 0.00 3.55 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 46 F 7.89 5.01 0.00 3.10 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 47 K 8.09 4.01 0.00 1.74 2.06 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.18 7.81 48 H 8.00 4.54 0.00 3.18 3.40 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.54 4.28 0.00 1.68 1.63 0.92 1.02 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 50 K 9.39 4.41 0.00 1.75 1.78 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.57 7.81 51 T 7.75 4.51 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 52 E 8.58 3.93 0.00 2.05 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 0.00 2.37 2.38 0.00 53 A 7.96 3.97 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 54 E 8.39 3.95 0.00 2.19 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 2.33 2.35 0.00 55 M 7.94 4.06 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.63 0.00 56 K 8.19 4.07 0.00 1.84 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.57 7.81 57 A 7.77 4.24 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 7.34 4.15 0.00 3.83 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 59 E 8.82 3.94 0.00 2.10 1.91 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 2.37 2.45 0.00 60 D 7.96 4.38 0.00 2.75 2.94 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 61 L 7.53 2.83 0.00 0.96 1.45 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.88 3.81 0.00 1.88 1.86 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 63 K 8.37 4.00 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.55 7.81 64 H 8.63 4.38 0.00 3.51 3.31 0.00 5.79 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 8.20 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.63 2.23 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 1.13 0.00 0.00 0.93 0.00 0.00 67 T 8.05 3.87 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 V 7.80 3.59 2.24 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 1.17 0.00 0.00 0.92 0.00 0.00 69 L 8.10 4.27 0.00 1.82 1.88 0.90 0.73 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 70 T 8.36 3.92 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 1.25 0.00 0.00 71 A 7.97 4.00 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 72 L 8.30 3.74 0.00 1.70 1.64 0.35 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 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 0.00 0.00 0.00 74 A 7.54 3.96 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 75 I 7.65 3.75 1.83 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 1.50 0.88 0.89 0.00 0.00 76 L 7.77 4.01 0.00 1.17 1.60 -0.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.81 3.98 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.55 7.81 78 K 7.81 3.96 0.00 1.79 1.81 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.76 7.81 79 K 8.50 2.00 0.00 1.13 0.74 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.71 1.11 7.81 80 G 7.59 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 0.00 0.00 0.00 81 H 7.57 4.41 0.00 2.97 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.36 5.42 0.00 3.26 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.39 3.88 0.00 1.98 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 2.37 2.31 0.00 84 A 7.86 3.98 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 8.08 4.09 0.00 2.22 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 2.38 2.45 0.00 86 L 8.22 4.32 0.00 1.83 1.66 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.25 3.83 0.00 1.92 1.98 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 88 P 0.00 4.31 0.00 2.33 2.31 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 89 L 7.50 3.96 0.00 1.82 1.87 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.38 4.08 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 91 Q 8.14 3.93 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 92 S 8.10 4.11 0.00 4.03 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 93 H 8.75 4.25 0.00 3.62 3.70 0.00 5.80 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 8.32 2.91 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 95 T 7.63 4.19 4.16 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 1.23 0.00 0.00 96 K 7.41 4.24 0.00 1.54 1.68 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.11 1.31 7.81 97 H 8.23 4.23 0.00 2.94 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.38 2.91 0.00 1.71 1.69 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.86 1.15 7.81 99 I 7.70 4.26 2.12 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 1.26 0.87 1.20 0.00 0.00 100 P 0.00 4.42 0.00 1.73 1.72 0.00 2.72 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 1.25 1.85 0.00 101 I 8.23 3.82 1.85 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 1.61 0.94 0.92 0.00 0.00 102 K 7.81 4.00 0.00 1.52 1.91 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.33 7.81 103 Y 7.92 4.14 0.00 3.28 3.11 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 0.00 104 L 8.05 4.21 0.00 1.90 1.83 0.76 1.17 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 0.00 105 E 8.32 4.00 0.00 2.04 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 2.34 2.42 0.00 106 F 7.95 4.68 0.00 3.17 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 0.00 107 I 8.25 3.93 2.02 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 1.59 1.66 1.15 0.00 0.00 108 S 8.30 4.22 0.00 4.20 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 0.00 109 E 8.55 4.08 0.00 2.34 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 0.00 2.44 2.53 0.00 110 A 8.00 4.02 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 0.00 111 I 8.12 3.66 2.13 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 1.60 0.78 1.05 0.00 0.00 112 I 7.89 3.78 2.14 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 1.64 0.91 1.10 0.00 0.00 113 H 8.45 4.09 0.00 3.28 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.99 3.52 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 0.96 0.00 0.00 0.97 0.00 0.00 115 L 7.91 3.72 0.00 1.02 0.34 0.85 0.87 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 0.00 116 H 7.88 4.41 0.00 3.42 3.52 0.00 5.95 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 0.00 117 S 7.90 4.11 0.00 3.88 3.82 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 0.00 118 R 8.00 4.10 0.00 1.51 1.55 0.00 3.09 0.00 0.00 2.88 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 119 H 8.17 5.06 0.00 3.23 3.37 0.00 5.62 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 4.31 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 121 G 8.42 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.03 4.88 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 0.00 123 F 8.50 4.53 0.00 3.05 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 0.00 124 G 7.47 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.40 4.00 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 7.84 4.13 0.00 2.62 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 0.00 127 A 7.64 3.83 1.13 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 0.00 128 Q 7.87 3.34 0.00 1.52 1.84 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 2.30 2.42 0.00 129 G 8.19 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.06 3.78 1.22 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 0.00 131 M 8.30 3.99 0.00 2.39 2.44 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 N 8.41 4.36 0.00 3.02 2.86 0.00 0.00 7.05 8.72 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 0.00 133 K 8.22 3.92 0.00 1.76 1.73 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.49 7.81 134 A 8.05 4.00 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 8.38 4.11 0.00 1.78 1.86 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.54 3.97 0.00 2.13 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 0.00 2.32 2.33 0.00 137 L 8.32 3.97 0.00 1.95 2.02 0.99 1.36 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 0.00 138 F 8.51 4.15 0.00 3.12 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 0.00 139 R 8.40 3.44 0.00 1.98 1.86 0.00 3.21 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.04 0.00 140 K 8.30 3.82 0.00 1.89 2.02 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 141 D 8.20 4.36 0.00 2.65 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 0.00 142 I 7.52 3.29 1.17 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.26 0.01 0.00 0.00 143 A 7.82 3.76 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.90 3.94 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 0.00 145 K 7.95 3.99 0.00 1.91 1.88 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 146 Y 8.27 4.51 0.00 3.13 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 0.00 147 K 8.36 4.08 0.00 1.93 1.87 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.73 1.63 7.81 148 E 8.11 4.02 0.00 2.19 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 2.36 2.55 0.00 149 L 8.12 4.31 0.00 1.86 1.76 0.99 1.13 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 0.00 150 G 7.84 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 0.00 0.00 0.00 151 Y 8.15 4.37 0.00 2.83 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 0.00 152 Q 8.16 4.33 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 153 G 5.38 3.40 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 0.00