NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5850 8.1476 120.6078 55.5129 34.1306 173.9216 2 Q 4.9408 8.3943 122.8612 52.5193 32.4055 172.4702 3 I 4.4390 9.0147 115.6304 58.9854 42.0294 175.2074 4 F 5.3273 8.2114 123.1404 56.1308 40.9881 174.7796 5 V 5.3313 8.3768 124.2501 60.7365 33.6439 174.6283 6 K 5.1461 8.5163 127.5505 54.3892 35.7083 176.0596 7 T 5.2669 8.4075 116.9354 60.2847 70.2506 174.7600 8 L 4.0848 8.0894 120.2106 58.0162 41.5013 179.1088 9 T 4.1417 7.6697 111.0851 60.4673 67.4480 174.4643 10 G 3.7462 8.7194 120.5513 46.1331 0.0000 168.4736 11 K 3.6958 8.4884 121.0130 56.4734 28.2247 175.3614 12 T 4.8451 8.0651 120.1167 61.5978 70.1319 173.9641 13 I 4.2874 8.2518 120.9446 60.1373 39.6789 174.6068 14 T 5.3251 8.4955 119.6183 60.4691 69.3774 173.1976 15 L 4.8722 8.6886 127.1928 54.2965 44.5916 174.5291 16 E 5.0686 8.7076 119.8380 55.0258 31.0521 175.6823 17 V 4.5718 8.4210 116.7702 60.0937 36.6808 174.1165 18 E 4.6160 9.5126 121.5433 54.1748 31.4598 175.9228 19 P 4.2526 0.0000 0.0000 65.6725 31.6076 178.7202 20 S 4.2902 7.9173 110.9605 59.9320 63.7505 174.3294 21 D 4.3237 7.7924 122.5576 54.9177 41.0868 176.8393 22 T 4.7865 8.2557 114.5670 60.8310 71.5172 175.8449 23 I 3.7201 8.2281 121.3630 64.5763 37.0904 178.5416 24 E 3.9289 7.9910 118.0005 59.3006 28.8607 178.8351 25 N 4.2999 7.9225 117.8931 56.6349 39.1216 176.9153 26 V 3.6095 7.5799 119.2604 65.6602 31.5962 178.1671 27 K 3.9107 8.3891 118.4907 59.3923 31.8778 178.9175 28 A 4.0123 7.8148 120.5542 55.3596 17.7881 179.9116 29 K 3.9610 7.7605 116.7984 59.5756 32.0606 179.7516 30 I 3.8354 8.0018 120.3463 63.9641 36.9308 178.3902 31 Q 4.0707 8.2038 120.7996 59.2652 28.7709 177.2518 32 D 4.6209 7.9454 117.7847 56.5767 41.1041 177.1117 33 K 4.6373 7.4767 113.6552 55.9803 33.1989 176.3233 34 E 4.5996 7.9433 114.0518 55.6119 33.7364 174.8027 35 G 4.2075 8.8428 108.3548 45.4122 0.0000 174.0842 36 I 3.5926 7.5705 119.6366 60.7921 37.4341 173.9935 37 P 4.3618 0.0000 0.0000 61.8187 31.5496 175.6804 38 P 4.2821 0.0000 0.0000 65.8395 31.3377 177.4984 39 D 4.6867 8.0400 114.2585 54.3237 39.7009 176.2128 40 Q 4.7081 8.5282 119.0615 55.5886 31.2243 174.7523 41 Q 5.0481 7.7615 116.8384 54.2691 30.9443 175.2523 42 R 4.6522 8.6448 122.2356 54.3704 33.0388 175.3372 43 L 5.0180 8.4297 123.3382 53.9569 44.3724 175.6983 44 I 5.6584 8.2670 120.6680 59.3119 41.7244 173.9824 45 F 5.3460 8.4975 128.1928 56.8228 42.7647 174.4989 46 A 3.5339 9.4012 127.2157 53.1945 15.9010 177.3683 47 G 3.8989 8.3419 103.7305 47.6259 0.0000 174.3552 48 K 4.5069 7.6915 117.9039 54.0349 35.1666 175.9273 49 Q 4.6340 8.4466 121.3749 54.9501 28.4707 175.7680 50 L 3.7196 7.9148 124.2082 55.1179 43.0210 176.8419 51 E 4.7673 8.6562 119.2610 54.5772 32.5043 177.3557 52 D 4.5327 9.1450 123.7744 57.2556 41.2329 178.9660 53 G 3.6762 8.0498 106.8092 47.4079 0.0000 174.1585 54 R 4.2920 7.8049 118.5246 55.2853 30.0019 175.9555 55 T 4.8599 7.7762 110.0293 60.0815 70.9732 175.7234 56 L 4.4162 8.2117 120.4626 57.9210 42.0367 180.3258 57 S 4.1599 8.1102 114.7516 61.6595 62.7946 176.1887 58 D 4.3188 7.6514 118.1841 56.4902 40.4741 176.5963 59 Y 4.8449 6.9554 113.8021 56.8800 39.3735 174.8775 60 N 4.2304 8.1845 116.1001 54.5317 36.0751 175.7458 61 I 3.9771 8.1102 120.8706 60.3567 36.2714 176.0800 62 Q 4.4111 7.9876 125.3110 54.0412 31.2687 175.7739 63 K 3.9514 8.3097 117.4331 57.4577 32.5003 176.6458 64 E 3.3493 8.3468 116.5146 57.1655 27.9547 175.2528 65 S 4.4732 7.2793 113.3590 58.2846 64.1084 172.8503 66 T 5.6341 8.1355 118.4689 60.6720 71.4637 173.4263 67 L 4.9172 8.4396 125.6000 53.3166 44.9480 175.1337 68 H 5.1499 9.2537 120.6003 54.8657 30.7543 173.8971 69 L 5.1317 8.6789 124.2740 53.2548 44.9611 175.0834 70 V 4.7108 8.3201 124.6365 61.0713 34.4778 174.1627 71 L 4.8809 8.5259 127.6828 54.0116 42.8570 177.3838 72 R 4.3183 9.0497 123.2750 56.2373 30.9619 175.9568 73 L 4.6943 8.5931 116.9705 54.9742 43.7191 176.1725 74 R 4.6412 6.9984 112.2219 55.2071 31.6550 175.0111 75 G 4.0359 8.3449 103.5138 45.9616 0.0000 171.9347 76 G 4.2289 8.8480 109.2685 44.9594 0.0000 173.7468 77 M 4.8799 7.7129 119.1115 53.2568 35.2809 174.3899 78 Q 4.8005 8.4179 122.5124 54.6578 32.7408 173.5764 79 I 4.4822 7.9965 114.2378 59.1454 41.2696 173.7744 80 F 5.4778 8.9500 119.7114 55.7135 43.1193 174.9499 81 V 4.8966 9.2151 120.7767 61.2269 34.6570 173.9089 82 K 4.8214 8.6745 129.9833 54.3122 33.9921 177.1641 83 T 4.1649 8.0320 116.3665 62.1421 68.2114 176.5230 84 L 4.0914 9.4323 121.7820 56.4126 40.1303 174.3401 85 T 4.5757 7.4068 110.9137 64.2402 76.4400 173.9671 86 G 4.1044 7.6602 109.1795 43.6414 0.0000 173.2874 87 K 4.1877 8.4508 117.9884 56.8755 32.7740 175.6610 88 T 5.0629 8.2011 117.7161 62.0705 70.4381 174.0991 89 I 4.7366 9.0238 118.5737 59.4929 41.2408 174.1420 90 T 5.0537 8.5275 119.6051 62.1163 70.4023 173.9698 91 L 4.7012 8.4584 125.7354 52.8887 44.7983 175.6641 92 E 4.2542 8.6846 122.9377 55.7406 30.3018 175.6556 93 V 4.5906 8.0487 117.0708 59.3271 35.8066 175.0258 94 E 4.7063 9.8515 120.8389 53.9779 32.5385 175.9784 95 P 4.2827 0.0000 0.0000 65.0787 31.6186 177.6180 96 S 4.7549 7.7658 110.3463 57.6853 63.5188 173.7690 97 D 4.4044 8.4538 123.1455 54.7497 41.0151 176.4850 98 T 4.5667 8.2415 114.1794 61.3734 71.1764 175.7810 99 I 3.7287 8.1804 122.7654 64.4021 37.0056 178.4776 100 E 3.9268 8.1596 119.8508 59.3570 29.5686 178.2565 101 N 4.2900 8.1515 116.7661 56.4685 38.9682 176.9108 102 V 3.6795 7.4700 119.9018 65.3828 31.4916 178.2264 103 K 4.0752 8.1522 118.2200 59.4187 32.0615 178.7900 104 A 3.9798 8.0702 121.0728 55.5830 18.0295 179.9630 105 K 4.0040 7.8353 115.1867 59.2666 32.2714 179.5761 106 I 3.9060 7.5865 120.2433 64.4097 37.2498 177.9624 107 Q 4.1763 8.8495 121.0046 59.4732 28.4763 178.3070 108 D 4.4513 7.9807 118.6638 56.3006 40.9107 177.7767 109 K 4.4740 8.1797 118.0151 57.1183 33.2944 177.1978 110 E 4.5894 7.4814 114.7247 55.5581 31.9473 177.2540 111 G 4.0337 8.1767 109.1421 45.9221 0.0000 174.6538 112 I 3.6142 7.4648 120.0354 61.1389 37.5475 174.0813 113 P 4.3988 0.0000 0.0000 61.6820 31.8983 175.6152 114 P 4.2552 0.0000 0.0000 65.7395 31.5942 178.3096 115 D 4.3335 8.1228 116.6319 56.4529 39.4226 177.0336 116 Q 4.3404 8.1204 116.1789 55.7500 28.6103 175.1584 117 Q 4.5823 7.6298 118.3479 54.0342 30.5848 174.8629 118 R 4.6430 8.4882 122.4394 54.4463 33.1769 173.7081 119 L 5.3768 8.5930 125.6745 53.0030 45.0741 175.2798 120 I 4.8352 8.7694 124.0317 59.3958 40.5191 174.4792 121 F 4.9191 8.8619 128.5684 56.2216 40.7315 174.5942 122 A 3.3195 9.1265 128.9277 53.2760 15.2769 175.8100 123 G 3.7368 8.2866 112.4385 44.4667 0.0000 167.6328 124 K 3.9387 8.2392 124.8562 55.7209 31.9852 175.1055 125 Q 4.7441 8.3416 124.4716 54.7845 30.5331 174.7381 126 L 3.9802 8.3898 126.8154 54.0392 42.1645 176.9293 127 E 4.4151 9.1022 124.3530 56.1807 30.1888 176.9160 128 D 4.5747 8.8372 119.6026 55.7329 41.3876 177.9160 129 G 3.8740 8.0726 106.0728 45.5212 0.0000 173.3092 130 R 4.5711 7.6107 119.1941 54.5118 32.9203 174.5934 131 T 5.0237 8.4178 108.8512 59.3355 71.6314 175.1606 132 L 3.9647 8.3317 121.9725 58.0435 41.9726 180.1716 133 S 4.1934 7.8895 112.8485 61.0200 62.5153 175.8408 134 D 4.2626 7.7802 119.5954 56.6142 40.5386 176.6299 135 Y 4.7579 7.4243 114.2308 56.8323 38.3553 174.7850 136 N 4.1396 7.6942 116.7763 54.5184 37.9359 174.2876 137 I 3.8532 7.9476 117.8312 60.0579 38.4565 175.7755 138 Q 4.6118 8.0170 121.8413 53.3716 31.9010 173.9398 139 K 4.2280 8.1894 116.2621 58.1379 32.8708 176.5464 140 E 4.3053 8.9889 121.1512 56.5490 29.0839 175.3935 141 S 4.4848 7.7785 114.8726 59.2894 64.2058 173.2595 142 T 5.1580 8.7159 116.8343 60.4841 69.5962 173.0428 143 L 4.8741 9.5139 129.4721 53.7827 44.5375 174.9414 144 H 5.3162 8.8608 119.1669 54.2165 30.9344 173.4380 145 L 5.0315 8.6097 125.6202 53.2788 43.7937 176.3011 146 V 4.0996 8.4163 125.1567 63.0704 31.3686 174.9667 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 M 8.15 4.59 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 2 Q 8.39 4.94 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 3 I 9.01 4.44 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.73 0.00 0.00 4 F 8.21 5.33 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.38 5.33 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 1.11 0.00 0.00 0.90 0.00 0.00 6 K 8.52 5.15 0.00 1.82 1.53 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 7 T 8.41 5.27 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 8 L 8.09 4.08 0.00 1.72 1.78 0.94 0.87 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 9 T 7.67 4.14 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 10 G 8.72 3.75 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 0.00 0.00 0.00 11 K 8.49 3.70 0.00 1.99 2.02 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.43 7.81 12 T 8.07 4.85 4.18 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 1.17 0.00 0.00 13 I 8.25 4.29 1.89 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 1.13 0.67 0.92 0.00 0.00 14 T 8.50 5.33 4.54 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 1.26 0.00 0.00 15 L 8.69 4.87 0.00 1.72 1.69 0.90 0.79 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 16 E 8.71 5.07 0.00 1.82 1.89 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 2.22 2.37 0.00 17 V 8.42 4.57 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 0.61 0.00 0.00 0.86 0.00 0.00 18 E 9.51 4.62 0.00 2.09 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 2.23 2.40 0.00 19 P 0.00 4.25 0.00 2.16 2.10 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.92 4.29 0.00 3.97 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 21 D 7.79 4.32 0.00 2.96 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 22 T 8.26 4.79 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 1.29 0.00 0.00 23 I 8.23 3.72 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.21 0.92 0.00 0.00 24 E 7.99 3.93 0.00 2.23 2.32 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 2.36 2.33 0.00 25 N 7.92 4.30 0.00 2.88 3.07 0.00 0.00 6.88 7.71 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 26 V 7.58 3.61 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 27 K 8.39 3.91 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 28 A 7.81 4.01 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 29 K 7.76 3.96 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.68 7.81 30 I 8.00 3.84 2.08 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 1.40 1.43 0.95 0.00 0.00 31 Q 8.20 4.07 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 32 D 7.95 4.62 0.00 2.89 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 33 K 7.48 4.64 0.00 1.91 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 34 E 7.94 4.60 0.00 2.26 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 2.24 2.40 0.00 35 G 8.84 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 0.00 0.00 0.00 0.00 36 I 7.57 3.59 1.86 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 1.41 0.84 0.90 0.00 0.00 37 P 0.00 4.36 0.00 2.16 2.19 0.00 3.61 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 2.09 2.16 0.00 38 P 0.00 4.28 0.00 2.16 2.12 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 39 D 8.04 4.69 0.00 2.77 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 40 Q 8.53 4.71 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 41 Q 7.76 5.05 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 42 R 8.64 4.65 0.00 1.82 1.84 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 43 L 8.43 5.02 0.00 1.55 1.52 0.89 0.65 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 44 I 8.27 5.66 1.89 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 1.07 1.19 0.91 0.00 0.00 45 F 8.50 5.35 0.00 2.86 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 46 A 9.40 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.34 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 48 K 7.69 4.51 0.00 1.80 1.62 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 49 Q 8.45 4.63 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 50 L 7.91 3.72 0.00 1.43 1.40 0.79 -0.10 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 51 E 8.66 4.77 0.00 2.05 1.89 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 2.27 2.38 0.00 52 D 9.15 4.53 0.00 2.80 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 53 G 8.05 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 54 R 7.80 4.29 0.00 1.85 1.73 0.00 3.14 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 55 T 7.78 4.86 4.39 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 1.22 0.00 0.00 56 L 8.21 4.42 0.00 1.84 1.75 0.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.11 4.16 0.00 3.86 3.89 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 58 D 7.65 4.32 0.00 2.44 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 0.00 0.00 0.00 59 Y 6.96 4.84 0.00 3.14 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 60 N 8.18 4.23 0.00 3.06 3.06 0.00 0.00 6.91 7.05 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 61 I 8.11 3.98 1.78 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 0.56 0.68 0.55 0.00 0.00 62 Q 7.99 4.41 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 63 K 8.31 3.95 0.00 1.78 1.68 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.43 7.81 64 E 8.35 3.35 0.00 2.05 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 2.34 2.45 0.00 65 S 7.28 4.47 0.00 3.95 3.45 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 66 T 8.14 5.63 4.36 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 1.33 0.00 0.00 67 L 8.44 4.92 0.00 1.51 1.49 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.25 5.15 0.00 3.09 3.23 0.00 5.59 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 69 L 8.68 5.13 0.00 1.76 1.48 0.98 0.54 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 70 V 8.32 4.71 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.53 4.88 0.00 1.57 1.57 0.92 0.97 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 72 R 9.05 4.32 0.00 1.74 2.03 0.00 3.26 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 73 L 8.59 4.69 0.00 1.59 1.66 0.92 0.78 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 74 R 7.00 4.64 0.00 1.98 1.89 0.00 2.63 0.00 0.00 2.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 75 G 8.34 4.04 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 76 G 8.85 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 77 M 7.71 4.88 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 78 Q 8.42 4.80 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 79 I 8.00 4.48 1.86 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 1.08 0.63 0.76 0.00 0.00 80 F 8.95 5.48 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 81 V 9.22 4.90 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 0.98 0.00 0.00 0.95 0.00 0.00 82 K 8.67 4.82 0.00 1.92 1.69 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.38 7.81 83 T 8.03 4.16 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 84 L 9.43 4.09 0.00 1.95 1.93 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.41 4.58 4.25 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 1.21 0.00 0.00 86 G 7.66 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 0.00 0.00 0.00 87 K 8.45 4.19 0.00 1.89 1.75 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.52 7.81 88 T 8.20 5.06 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 1.25 0.00 0.00 89 I 9.02 4.74 1.92 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 1.41 1.10 0.94 0.00 0.00 90 T 8.53 5.05 4.31 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 1.12 0.00 0.00 91 L 8.46 4.70 0.00 1.52 1.45 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.68 4.25 0.00 1.85 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 2.33 2.25 0.00 93 V 8.05 4.59 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 0.63 0.00 0.00 0.83 0.00 0.00 94 E 9.85 4.71 0.00 2.07 1.75 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 2.18 2.22 0.00 95 P 0.00 4.28 0.00 2.13 2.09 0.00 3.53 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 2.09 2.06 0.00 96 S 7.77 4.75 0.00 3.92 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 97 D 8.45 4.40 0.00 2.74 2.61 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 0.00 98 T 8.24 4.57 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 1.19 0.00 0.00 99 I 8.18 3.73 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.38 0.96 0.00 0.00 100 E 8.16 3.93 0.00 2.08 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 2.38 2.43 0.00 101 N 8.15 4.29 0.00 2.85 2.96 0.00 0.00 6.90 7.69 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 0.00 102 V 7.47 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 0.97 0.00 0.00 0.99 0.00 0.00 103 K 8.15 4.08 0.00 1.93 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.61 7.81 104 A 8.07 3.98 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 0.00 105 K 7.84 4.00 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.59 7.81 106 I 7.59 3.91 2.13 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 1.41 0.95 0.96 0.00 0.00 107 Q 8.85 4.18 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 108 D 7.98 4.45 0.00 2.89 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 0.00 109 K 8.18 4.47 0.00 1.82 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.46 7.81 110 E 7.48 4.59 0.00 1.97 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 2.30 2.30 0.00 111 G 8.18 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 0.00 112 I 7.46 3.61 1.88 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 1.31 0.79 0.92 0.00 0.00 113 P 0.00 4.40 0.00 2.30 1.98 0.00 3.63 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 2.29 2.11 0.00 114 P 0.00 4.26 0.00 2.17 2.13 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 115 D 8.12 4.33 0.00 2.77 2.81 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 0.00 116 Q 8.12 4.34 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 117 Q 7.63 4.58 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 118 R 8.49 4.64 0.00 1.89 1.75 0.00 3.17 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 119 L 8.59 5.38 0.00 1.62 1.55 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.77 4.84 1.90 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 1.10 0.93 0.91 0.00 0.00 121 F 8.86 4.92 0.00 2.94 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 0.00 122 A 9.13 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.29 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 0.00 124 K 8.24 3.94 0.00 1.92 1.74 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 125 Q 8.34 4.74 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 126 L 8.39 3.98 0.00 1.58 1.69 0.95 0.44 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 0.00 127 E 9.10 4.42 0.00 2.01 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 2.43 2.49 0.00 128 D 8.84 4.57 0.00 2.69 2.73 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 0.00 129 G 8.07 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 0.00 130 R 7.61 4.57 0.00 1.78 1.48 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 131 T 8.42 5.02 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 132 L 8.33 3.96 0.00 1.67 1.67 0.90 0.79 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 0.00 133 S 7.89 4.19 0.00 4.04 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.78 4.26 0.00 2.49 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 0.00 0.00 0.00 0.00 135 Y 7.42 4.76 0.00 2.98 3.09 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 0.00 136 N 7.69 4.14 0.00 2.90 2.97 0.00 0.00 7.06 8.05 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 0.00 137 I 7.95 3.85 1.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.68 0.39 0.00 0.00 138 Q 8.02 4.61 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 139 K 8.19 4.23 0.00 1.86 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 140 E 8.99 4.31 0.00 2.19 2.40 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 2.31 2.52 0.00 141 S 7.78 4.48 0.00 3.85 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 0.00 142 T 8.72 5.16 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 1.28 0.00 0.00 143 L 9.51 4.87 0.00 1.61 1.61 0.91 0.85 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 0.00 144 H 8.86 5.32 0.00 3.28 3.21 0.00 5.58 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 0.00 145 L 8.61 5.03 0.00 1.66 1.69 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.42 4.10 2.19 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 0.80 0.00 0.00 0.94 0.00 0.00