NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4646 8.3044 118.1944 55.1481 32.5717 174.2920 1 V 4.2762 7.9100 118.7097 60.7602 34.5998 173.4224 2 L 4.4434 8.2323 126.8838 53.6613 43.9291 176.6955 3 S 4.5777 8.8974 117.5654 57.5132 65.5175 175.0962 4 E 4.2855 8.7917 122.1443 59.4389 29.1814 178.8849 5 G 3.6344 8.1040 105.3872 47.8808 0.0000 175.4091 6 E 3.9543 7.9951 120.9479 58.8758 29.4277 179.4453 7 W 4.3789 8.1004 119.1168 59.9054 29.1221 178.5562 8 Q 4.2156 8.5969 118.2782 59.0194 27.9910 178.9397 9 L 4.1125 7.8766 120.0007 57.5747 41.6214 179.7496 10 V 3.7652 7.8725 118.0983 66.2425 31.6555 178.2682 11 L 4.2702 8.6623 119.0205 57.7031 41.1595 179.0836 12 H 4.2419 8.2819 118.1992 59.3139 30.2957 177.4672 13 V 3.7157 7.7735 121.1093 64.3523 31.2768 178.1397 14 W 3.9840 8.4728 128.9478 60.0849 30.2677 177.7645 15 A 3.9582 7.8717 120.1774 54.9140 18.0402 179.5124 16 K 3.9346 7.6780 116.9334 59.4357 32.1064 179.6248 17 V 2.8384 7.1060 117.9698 65.7697 31.1018 177.4841 18 E 3.8540 7.6041 116.0364 58.1162 29.2741 178.5696 19 A 4.1988 7.5350 120.6291 53.8729 20.0593 177.6806 20 D 4.6591 7.9068 116.4813 52.0813 42.8589 175.4616 21 V 3.4429 7.9723 123.2406 65.5820 32.0363 176.6883 22 A 4.0886 8.0427 120.0889 55.1624 18.3566 179.6915 23 G 3.8233 8.2210 105.4894 47.8559 0.0000 175.7372 24 H 4.1924 8.3282 119.0483 58.2651 28.6684 178.0891 25 G 3.7430 8.4738 108.0342 47.9253 0.0000 175.7452 26 Q 4.0036 8.0807 120.5229 58.8227 28.7674 178.5446 27 D 4.3062 7.8467 119.3195 57.4087 40.7694 179.0640 28 I 3.5473 7.7127 120.0438 64.5325 37.0593 178.6611 29 F 3.4222 7.9943 118.4592 60.1080 38.6029 177.9832 30 I 3.7325 7.9066 119.8508 64.1406 36.7922 178.3533 31 R 3.7808 7.9686 119.6103 59.2089 29.8330 178.1922 32 L 3.8522 7.7582 120.1076 58.4319 41.5900 179.1245 33 F 4.5786 8.1349 117.7698 60.3392 38.5202 177.8162 34 K 4.0926 8.0195 117.6168 59.2525 32.1272 179.1506 35 S 4.2629 8.1556 114.7977 60.2423 64.3189 174.5065 36 H 4.7840 8.2303 118.2146 51.8184 29.2456 171.6896 37 P 4.4602 0.0000 0.0000 64.8442 31.4155 177.6453 38 E 4.1102 8.2766 116.0106 59.6082 29.3753 179.2055 39 T 3.8865 8.2039 110.8842 64.4476 68.7661 176.2940 40 L 3.8251 8.0324 123.3613 57.8615 41.8107 178.4101 41 E 4.2249 7.9571 116.9594 58.2271 29.4488 178.4564 42 K 4.4854 8.1319 117.7117 56.7146 32.8090 177.2196 43 F 4.6061 8.1628 119.0404 55.5236 39.4409 175.6920 44 D 4.3781 8.5490 124.5657 57.3000 40.9533 178.9119 45 R 3.8693 7.7140 116.6750 58.0327 30.3231 176.9901 46 F 5.0457 7.5442 113.8659 56.6555 40.6936 176.5781 47 K 4.0702 8.3138 120.4699 58.8837 32.2914 177.5091 48 H 4.4753 8.0855 114.3579 56.9952 29.2405 175.6420 49 L 4.0127 7.4608 121.0653 55.2490 41.6794 176.8779 50 K 4.2621 9.5880 123.9347 57.6465 33.2290 177.1979 51 T 4.7282 7.4368 107.3291 59.0015 73.1212 174.3052 52 E 3.9419 8.6252 120.9048 59.2529 29.6735 178.5448 53 A 3.9957 7.9411 120.4939 55.2698 18.2730 179.3363 54 E 3.9726 7.8090 115.7208 59.6051 29.7023 179.2249 55 M 4.1699 8.0086 118.8545 58.4234 31.8559 178.9986 56 K 3.9804 8.2454 117.5006 59.1562 32.2685 178.7442 57 A 4.3249 7.6728 118.9796 52.5337 18.7595 177.4125 58 S 4.1749 7.3717 113.5644 57.9690 62.9449 174.4924 59 E 3.9921 8.9182 129.0064 59.4578 29.5226 178.2640 60 D 4.4943 8.1345 118.6028 57.2180 40.9641 178.3438 61 L 3.2791 8.0520 121.0497 57.6335 41.9437 178.9235 62 K 3.9060 7.8043 119.4870 59.4419 32.2493 179.0193 63 K 4.0386 8.1633 118.8683 59.6178 31.9077 178.8638 64 H 4.3401 8.4408 118.8496 59.1985 29.7800 177.5847 65 G 3.7019 8.1217 107.6174 47.7721 0.0000 175.8955 66 V 3.6663 7.7038 120.1831 66.0631 31.6500 178.3232 67 T 3.9229 7.8770 115.3278 66.5272 68.2771 176.8934 68 V 3.6801 7.9964 120.1306 66.2057 31.6125 178.1803 69 L 4.2534 8.2471 118.7474 58.0969 41.4134 179.7143 70 T 3.9975 8.2651 115.7018 66.5394 68.5127 176.6277 71 A 4.0170 7.9915 122.3048 55.0883 18.4342 179.4619 72 L 3.7699 8.2261 119.1125 58.0410 42.0831 179.4721 73 G 3.2798 8.5335 105.9457 47.5245 0.0000 175.5387 74 A 3.9998 7.7936 122.2653 54.8969 18.6520 179.5920 75 I 3.7659 7.4940 117.8056 64.5760 37.2147 178.6350 76 L 3.9509 7.6490 119.7513 57.7005 41.1699 179.5205 77 K 4.0336 7.6569 116.6477 58.1733 32.3373 178.6860 78 K 3.9709 7.8083 118.4406 55.9912 32.5130 176.6340 79 K 2.0000 8.1701 118.2168 56.5665 29.9520 174.8864 80 G 4.0907 7.9977 105.9509 46.1684 0.0000 174.5103 81 H 4.5330 7.4626 118.7523 54.9700 27.4050 174.7945 82 H 5.5249 7.2499 111.3043 54.4442 29.5516 176.4362 83 E 3.9490 8.6126 122.6462 60.2592 28.9748 178.6415 84 A 4.0321 7.8960 118.6813 55.3035 17.6956 179.0478 85 E 4.1011 8.1600 116.6173 59.4282 29.5859 179.4093 86 L 4.2676 8.1616 119.2545 57.5044 41.6317 178.9651 87 K 3.8489 7.8570 118.6632 59.5782 32.0835 177.3696 88 P 4.3324 0.0000 0.0000 65.6430 31.3257 178.2597 89 L 4.0087 7.5282 117.1794 58.0750 42.1063 178.7767 90 A 4.2014 8.5355 121.1963 55.1790 18.2042 179.4564 91 Q 3.8918 8.2178 118.3541 59.3586 29.1658 178.5692 92 S 4.0157 8.1644 115.3735 61.8526 63.0372 176.0732 93 H 4.3334 8.6583 119.3070 57.6359 28.2690 177.3244 94 A 2.8629 7.6626 121.8262 53.9465 18.9677 178.8183 95 T 3.9742 7.7014 112.7891 64.7075 69.2421 176.2008 96 K 4.0795 7.4808 120.0640 58.7591 32.8615 177.1764 97 H 4.3184 8.0190 114.4058 56.0084 29.4920 175.3984 98 K 3.2271 7.4845 117.2957 56.9253 28.4655 174.7204 99 I 4.3606 8.2658 118.7884 58.7319 38.7791 174.9515 100 P 4.5493 0.0000 0.0000 62.1212 32.1202 177.5438 101 I 3.6693 8.2443 122.6197 64.6160 37.0393 178.6126 102 K 3.6554 7.9741 119.8445 59.8746 31.9053 178.2366 103 Y 4.1941 8.0905 116.7745 60.7973 37.8868 178.1705 104 L 4.2284 7.8698 119.7560 57.6230 41.7675 179.1145 105 E 4.0446 8.0228 118.8263 59.3253 29.3805 179.2743 106 F 4.5293 7.7825 117.4789 60.7964 38.9637 177.5924 107 I 3.8181 8.0701 118.0899 63.8606 37.7568 178.1258 108 S 4.1865 8.0503 116.1922 61.3835 62.5265 176.1536 109 E 4.0153 8.3916 121.9950 59.1370 29.3679 178.6987 110 A 3.9605 7.9631 120.8761 55.0993 18.3793 179.6506 111 I 3.6092 7.9111 118.2931 64.6692 37.2003 178.6545 112 I 3.7968 7.8439 120.5345 64.6654 36.9433 177.8901 113 H 4.0973 8.5303 119.2261 59.4254 29.6218 177.5101 114 V 3.5398 7.9752 120.0099 65.9327 31.2475 178.0125 115 L 3.7475 7.9010 118.9118 57.8006 41.0414 178.9361 116 H 4.3688 7.9760 117.5232 59.3107 29.8690 177.3544 117 S 4.1571 7.7281 116.1084 61.6780 62.8334 176.4898 118 R 4.0370 7.9109 119.3469 57.7899 31.0099 176.5219 119 H 5.0374 8.3484 115.8909 53.7638 29.6055 173.0765 120 P 4.3086 0.0000 0.0000 65.9329 31.4701 179.0773 121 G 3.6535 8.1330 106.3810 47.4590 0.0000 173.6797 122 N 5.0782 8.2726 115.5205 52.8991 39.7278 174.7783 123 F 4.9304 7.8415 118.7785 56.3709 39.5181 174.1372 124 G 3.9152 7.6734 109.1923 43.5719 0.0000 171.9551 125 A 3.8978 8.4889 120.8299 55.6054 18.1675 179.6227 126 D 4.2100 7.9857 116.2338 57.4879 40.9269 178.8208 127 A 3.9436 7.7541 120.7661 55.0945 18.3551 179.3242 128 Q 3.0884 7.8536 118.4781 58.7749 29.0109 178.6364 129 G 3.4784 8.0352 106.7072 47.6038 0.0000 175.5975 130 A 3.8707 7.9612 123.2025 55.0386 18.3787 179.4565 131 M 4.0192 8.1893 116.8613 58.7470 32.2774 177.9352 132 N 4.3220 8.5039 117.6804 56.5519 39.1259 176.7733 133 K 3.8469 8.0962 120.8574 59.3992 32.2561 178.7224 134 A 3.8684 7.9226 121.0969 55.0379 18.1712 179.6152 135 L 4.1569 8.1791 117.5878 57.7967 41.6368 179.4850 136 E 3.9869 8.5936 119.1586 59.0357 29.2820 179.0890 137 L 3.9439 8.0490 120.5777 57.9670 42.1571 178.5959 138 F 4.1772 8.2669 120.6154 61.6921 39.2869 177.3874 139 R 3.4399 8.2526 117.6752 58.7532 29.7594 179.0523 140 K 3.8266 8.2577 119.8177 59.6909 32.2863 178.7356 141 D 4.3410 8.2086 119.2814 57.2887 40.6310 178.8615 142 I 3.4431 7.5767 120.3291 63.9659 37.0525 178.2876 143 A 3.6580 7.8499 121.5929 54.9838 18.1981 179.5010 144 A 3.9530 7.8704 119.2725 55.3017 18.3651 180.0834 145 K 4.0082 8.0155 116.9216 59.6065 32.0147 178.9948 146 Y 4.4656 8.2951 117.3519 61.3404 37.8636 179.0823 147 K 3.9920 8.0874 118.7477 59.6995 31.9824 179.2904 148 E 4.0443 7.8711 116.9837 59.2099 29.4681 178.7532 149 L 4.3467 8.0237 116.9293 55.2647 41.9468 177.8071 150 G 3.8965 8.0761 107.4338 45.2065 0.0000 172.2483 151 Y 4.6265 8.2526 121.5094 55.4560 40.3585 176.2003 152 Q 3.7412 9.0673 128.7864 60.0240 29.8884 175.6870 153 G 3.9373 5.7450 110.1219 46.6897 0.0000 173.9224 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 0 M 8.30 4.46 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 1 V 7.91 4.28 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 0.90 0.00 0.00 0.95 0.00 0.00 2 L 8.23 4.44 0.00 0.81 0.78 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.90 4.58 0.00 4.01 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 8.79 4.29 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 8.10 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.00 3.95 0.00 1.81 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 2.22 2.25 0.00 7 W 8.10 4.38 0.00 3.56 3.16 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 8 Q 8.60 4.22 0.00 2.30 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 2.75 2.61 0.00 9 L 7.88 4.11 0.00 1.82 1.75 0.89 1.19 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 7.87 3.77 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 1.19 0.00 0.00 0.95 0.00 0.00 11 L 8.66 4.27 0.00 1.82 1.81 0.94 0.99 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 12 H 8.28 4.24 0.00 3.29 3.60 0.00 5.95 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 13 V 7.77 3.72 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 1.04 0.00 0.00 0.87 0.00 0.00 14 W 8.47 3.98 0.00 3.65 3.29 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 15 A 7.87 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.68 3.93 0.00 1.53 1.63 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 17 V 7.11 2.84 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 0.00 0.00 0.05 0.00 0.00 0.48 0.00 0.00 18 E 7.60 3.85 0.00 1.97 1.90 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 2.12 2.14 0.00 19 A 7.54 4.20 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 20 D 7.91 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 7.97 3.44 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 0.84 0.00 0.00 22 A 8.04 4.09 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 23 G 8.22 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 0.00 0.00 0.00 24 H 8.33 4.19 0.00 3.25 3.25 0.00 5.83 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 8.47 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.08 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 27 D 7.85 4.31 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.71 3.55 1.88 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 1.43 0.63 0.51 0.00 0.00 29 F 7.99 3.42 0.00 2.96 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 0.00 0.00 0.00 0.00 30 I 7.91 3.73 1.89 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 1.42 0.94 0.90 0.00 0.00 31 R 7.97 3.78 0.00 1.92 2.04 0.00 3.00 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 1.52 1.57 0.00 32 L 7.76 3.85 0.00 1.59 1.36 1.00 1.03 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 33 F 8.13 4.58 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.09 0.00 1.75 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.61 7.81 35 S 8.16 4.26 0.00 3.66 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 36 H 8.23 4.78 0.00 3.01 2.77 0.00 5.65 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 37 P 0.00 4.46 0.00 2.16 2.14 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 38 E 8.28 4.11 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 39 T 8.20 3.89 4.52 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 0.91 0.00 0.00 40 L 8.03 3.83 0.00 1.47 1.78 -0.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.96 4.22 0.00 2.24 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 2.39 2.40 0.00 42 K 8.13 4.49 0.00 1.97 1.68 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.98 7.81 43 F 8.16 4.61 0.00 3.20 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 44 D 8.55 4.38 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.71 3.87 0.00 0.67 1.23 0.00 3.00 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 46 F 7.54 5.05 0.00 2.86 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 8.31 4.07 0.00 1.87 2.23 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.42 7.81 48 H 8.09 4.48 0.00 3.30 3.46 0.00 5.54 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 7.46 4.01 0.00 1.57 1.59 0.84 0.64 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 50 K 9.59 4.26 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.52 7.81 51 T 7.44 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 1.20 0.00 0.00 52 E 8.63 3.94 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 2.37 0.00 53 A 7.94 4.00 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 7.81 3.97 0.00 2.13 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 2.34 0.00 55 M 8.01 4.17 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 56 K 8.25 3.98 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.62 7.81 57 A 7.67 4.32 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 58 S 7.37 4.17 0.00 3.84 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 59 E 8.92 3.99 0.00 2.14 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 2.39 2.48 0.00 60 D 8.13 4.49 0.00 3.01 2.97 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 61 L 8.05 3.28 0.00 1.12 1.55 -0.15 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.91 0.00 1.79 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.16 4.04 0.00 2.06 1.89 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.70 7.81 64 H 8.44 4.34 0.00 3.51 3.36 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 8.12 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.70 3.67 2.26 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 1.05 0.00 0.00 0.98 0.00 0.00 67 T 7.88 3.92 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 1.28 0.00 0.00 68 V 8.00 3.68 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 1.24 0.00 0.00 1.09 0.00 0.00 69 L 8.25 4.25 0.00 1.84 1.89 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.27 4.00 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 1.27 0.00 0.00 71 A 7.99 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 72 L 8.23 3.77 0.00 1.65 1.79 0.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 3.28 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 0.00 74 A 7.79 4.00 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 7.49 3.77 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.86 0.00 0.00 76 L 7.65 3.95 0.00 1.34 1.51 -0.10 0.59 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 77 K 7.66 4.03 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.55 7.81 78 K 7.81 3.97 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.65 1.77 7.81 79 K 8.17 2.00 0.00 1.26 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.78 7.81 80 G 8.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.46 4.53 0.00 3.16 3.24 0.00 5.81 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 7.25 5.52 0.00 3.30 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.95 0.00 2.12 2.03 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 2.40 2.48 0.00 84 A 7.90 4.03 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 85 E 8.16 4.10 0.00 2.24 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 2.40 2.47 0.00 86 L 8.16 4.27 0.00 1.95 1.73 0.98 0.65 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 87 K 7.86 3.85 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.72 7.81 88 P 0.00 4.33 0.00 2.30 2.34 0.00 3.86 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 2.23 2.05 0.00 89 L 7.53 4.01 0.00 1.84 1.95 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.54 4.20 1.47 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 91 Q 8.22 3.89 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.16 4.02 0.00 4.05 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 8.66 4.33 0.00 3.58 3.61 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 7.66 2.86 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 95 T 7.70 3.97 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 96 K 7.48 4.08 0.00 1.54 1.62 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.34 7.81 97 H 8.02 4.32 0.00 3.02 3.16 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 7.48 3.23 0.00 1.77 1.75 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.30 7.81 99 I 8.27 4.36 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 1.52 0.99 1.17 0.00 0.00 100 P 0.00 4.55 0.00 1.71 1.77 0.00 2.83 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 1.51 1.97 0.00 101 I 8.24 3.67 1.83 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 0.83 0.00 0.00 102 K 7.97 3.66 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.93 0.00 0.00 3.18 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.84 1.20 7.81 103 Y 8.09 4.19 0.00 3.25 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 7.87 4.23 0.00 1.85 1.79 0.70 1.16 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 0.00 105 E 8.02 4.04 0.00 2.09 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 2.32 2.44 0.00 106 F 7.78 4.53 0.00 3.24 2.86 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 0.00 0.00 0.00 0.00 107 I 8.07 3.82 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 1.06 0.00 0.00 108 S 8.05 4.19 0.00 4.22 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 8.39 4.02 0.00 2.18 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 0.00 2.36 2.39 0.00 110 A 7.96 3.96 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 0.00 111 I 7.91 3.61 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 1.00 0.00 0.00 112 I 7.84 3.80 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 1.14 0.00 0.00 113 H 8.53 4.10 0.00 3.32 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.98 3.54 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 0.98 0.00 0.00 0.96 0.00 0.00 115 L 7.90 3.75 0.00 0.65 0.46 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.98 4.37 0.00 3.44 3.59 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 7.73 4.16 0.00 3.92 3.81 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 0.00 0.00 0.00 118 R 7.91 4.04 0.00 1.59 1.50 0.00 2.79 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 119 H 8.35 5.04 0.00 3.16 3.19 0.00 5.63 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 2.20 2.26 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.13 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 0.00 0.00 0.00 122 N 8.27 5.08 0.00 2.76 2.90 0.00 0.00 6.66 7.04 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 0.00 123 F 7.84 4.93 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.90 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 0.00 126 D 7.99 4.21 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.85 3.09 0.00 1.21 1.88 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 2.22 2.21 0.00 129 G 8.04 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 7.96 3.87 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 0.00 131 M 8.19 4.02 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.50 4.32 0.00 2.91 2.92 0.00 0.00 6.86 6.61 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 0.00 133 K 8.10 3.85 0.00 1.92 1.74 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.36 7.81 134 A 7.92 3.87 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 0.00 135 L 8.18 4.16 0.00 1.90 1.82 0.99 0.74 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 0.00 136 E 8.59 3.99 0.00 2.11 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 2.34 2.58 0.00 137 L 8.05 3.94 0.00 1.87 1.95 1.03 0.90 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 0.00 138 F 8.27 4.18 0.00 3.13 3.27 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 0.00 139 R 8.25 3.44 0.00 1.95 1.83 0.00 3.16 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.99 0.00 140 K 8.26 3.83 0.00 1.82 2.01 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.21 4.34 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 7.58 3.44 1.23 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.27 0.09 0.00 0.00 143 A 7.85 3.66 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 7.87 3.95 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 0.00 145 K 8.02 4.01 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.62 7.81 146 Y 8.30 4.47 0.00 3.23 3.27 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 0.00 147 K 8.09 3.99 0.00 2.03 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 148 E 7.87 4.04 0.00 2.14 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 2.52 0.00 149 L 8.02 4.35 0.00 1.82 1.73 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.08 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 0.00 151 Y 8.25 4.63 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 152 Q 9.07 3.74 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 153 G 5.74 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