NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4177 8.3049 120.3486 55.0880 33.3364 174.9725 2 L 4.0933 8.4041 126.5941 54.1474 42.3568 175.6940 3 K 4.2640 8.7286 121.3574 57.3404 33.6346 176.2242 4 Q 4.6187 7.5634 119.4998 53.8089 32.1855 174.7396 5 V 4.0214 8.7431 126.4576 62.9437 33.0281 174.3308 6 E 4.9289 8.7242 127.0565 54.5719 32.2402 175.0250 7 I 5.0845 8.0046 124.2368 59.4843 41.3517 174.5220 8 F 5.7088 9.6520 124.1346 54.9001 42.8641 174.0391 9 T 5.4151 8.6605 111.7086 60.5975 72.1002 172.3287 10 D 4.8700 9.0934 121.2295 53.4283 45.2033 174.0991 11 G 4.6794 8.6025 109.0983 44.8953 0.0000 171.5526 12 S 5.0532 9.2779 115.5898 57.0232 66.5296 172.2657 13 C 5.0871 8.4576 123.2660 58.3343 34.1032 173.5725 14 L 4.3719 9.0128 125.0401 55.6326 42.0176 176.3056 15 G 4.0794 7.3878 106.1483 45.0945 0.0000 172.6555 16 N 5.0123 8.2339 115.1073 51.1737 38.2824 172.3094 17 P 4.6763 0.0000 0.0000 61.8818 34.0438 175.3160 18 G 4.0998 8.0844 105.9258 44.8353 0.0000 170.6065 19 P 4.9842 0.0000 0.0000 62.4313 32.6105 176.2949 20 G 4.4803 9.3215 109.8215 45.8576 0.0000 171.1879 21 G 4.6624 8.9721 106.6405 45.6033 0.0000 171.3274 22 Y 5.5105 8.2869 117.1750 55.2596 42.2549 174.5530 23 G 4.4804 9.3951 106.3307 44.5988 0.0000 171.5250 24 A 5.5693 9.6554 125.5976 50.2094 23.1178 174.7074 25 I 4.9951 8.9619 121.9641 59.4009 40.4715 174.3727 26 L 5.0866 9.2128 129.1217 53.5384 44.8238 175.4026 27 R 4.9389 9.5163 127.0542 54.9634 31.0374 174.1082 28 Y 5.0226 8.4149 124.7452 55.7111 42.1515 174.6730 29 R 3.7734 9.1938 126.3354 57.7327 28.0895 177.3235 30 G 4.0122 8.9373 115.0705 46.1120 0.0000 172.6094 31 R 4.4181 7.7907 119.5506 54.5736 31.9092 175.0144 32 E 4.7126 8.4235 119.9290 54.6940 31.3245 174.8177 33 K 4.4816 9.1270 127.4409 55.2951 34.4528 176.0363 34 T 5.0169 8.0457 119.5704 61.8098 71.2955 173.2900 35 F 5.0159 9.0547 125.0199 55.9600 42.5650 174.4201 36 S 4.5664 8.8803 113.3319 58.3929 65.0449 173.8510 37 A 4.4465 7.2759 126.2623 50.8061 22.6108 174.9998 38 G 4.2346 8.3540 106.1731 44.5454 0.0000 171.6217 39 Y 5.1894 9.2349 119.8699 55.8063 41.0255 176.7731 40 T 3.8703 8.7524 114.4012 64.8268 70.0037 173.9433 41 R 4.4705 7.8114 122.4779 55.8618 32.4608 173.4946 42 T 4.1101 8.8100 123.8552 61.5683 71.0430 172.1162 43 T 4.9054 8.1458 108.4144 59.0094 72.5212 173.9771 44 N 4.2430 8.6996 119.7180 57.0830 38.9076 176.6613 45 N 4.1361 7.8476 117.2375 56.2254 38.5334 177.5148 46 R 3.8786 7.7556 119.1123 59.4952 30.1413 179.0624 47 M 4.0539 7.9766 118.5128 58.4278 31.4394 178.7135 48 E 4.1013 8.1991 118.5736 59.1911 29.5885 179.3455 49 L 3.7472 7.8067 118.8237 57.6916 41.6549 178.9665 50 M 3.7718 8.1990 118.2414 58.2574 31.9244 178.0423 51 A 3.5093 7.7817 120.6961 55.1353 18.6987 179.5591 52 A 3.9434 7.4733 118.8480 55.1274 18.3356 179.8722 53 I 3.5189 7.5405 118.3650 64.6678 37.0260 178.8786 54 V 3.2751 7.4041 117.5917 65.6079 31.4204 177.6803 55 A 3.7174 7.3915 120.6358 54.9471 18.2690 179.6304 56 L 3.7394 7.5603 117.2120 57.9332 41.5674 179.4489 57 E 4.0594 8.0327 116.1833 58.2867 29.3729 178.5293 58 A 4.2360 7.2473 120.2791 52.9910 18.9131 177.7376 59 L 3.6363 7.1672 118.2647 54.7118 41.9651 177.1318 60 K 4.5030 8.7047 122.2720 56.0927 32.6921 175.4803 61 E 4.7123 7.6884 115.7827 54.4365 32.7966 174.3044 62 H 4.6543 8.3165 116.5372 55.6759 29.4526 174.7458 63 C 4.9915 8.9291 118.9844 58.1329 33.4409 172.5464 64 E 4.7265 8.6404 119.0400 55.2446 30.5478 175.4809 65 V 4.6658 8.8760 125.3824 60.8046 34.9931 174.2042 66 I 4.5230 8.3831 126.3041 59.0330 40.6831 173.5880 67 L 4.7576 8.3733 132.4263 53.1300 44.5011 174.6613 68 S 5.3384 8.3870 121.5628 56.8569 64.7955 172.5615 69 T 5.0622 8.9260 120.3012 61.3679 70.6846 173.3266 70 D 5.4032 8.7966 124.1433 52.4772 40.4382 175.8826 71 S 4.5030 8.0967 116.2039 58.9499 63.1802 174.3998 72 Q 3.8646 8.7536 130.2933 59.0982 29.0282 177.1783 73 Y 4.1456 7.5230 119.5980 60.5997 38.8181 178.1280 74 V 3.6372 8.2103 119.5104 65.9857 31.6219 177.8488 75 R 2.5100 7.2510 117.8684 59.0262 29.5303 178.4857 76 Q 3.2732 7.7777 118.1816 58.4246 28.3675 178.5664 77 G 3.0895 6.9079 106.4488 47.8541 0.0000 175.7083 78 I 3.5242 7.5431 122.8233 63.4479 37.1781 178.1747 79 T 4.0427 7.4350 109.5562 63.2346 69.2370 176.1356 80 Q 4.2826 7.9990 119.0623 54.9235 31.0283 176.8725 81 W 3.8768 6.7823 118.4044 58.0757 30.2089 177.7194 82 I 3.4478 7.0902 118.7385 64.3510 36.1596 177.1420 83 H 3.9556 7.8713 118.1712 59.5403 29.6769 176.8240 84 N 4.4327 7.8102 117.0325 55.4017 38.2684 177.4124 85 W 4.2154 7.7281 121.0015 59.4626 28.8596 178.6085 86 K 2.8006 7.3649 117.2979 58.3998 31.4428 178.8628 87 K 4.1664 7.0681 118.0980 57.8412 31.6976 178.1900 88 R 4.4222 7.5777 116.8814 55.1050 29.9926 176.9903 89 G 3.9922 7.9639 106.1614 46.3487 0.0000 173.5918 90 W 3.4900 8.7344 117.3323 57.7375 26.7447 174.2826 91 K 4.9930 7.3287 115.9769 54.6071 35.3789 176.6207 92 T 4.3218 8.4967 111.7704 60.3412 70.0233 175.7278 93 A 3.9810 8.5357 124.7589 55.0270 18.3319 178.0447 94 D 4.6760 8.0228 113.3095 52.8969 39.5558 176.4294 95 K 3.8582 7.9068 116.6307 57.8514 30.1371 175.6561 96 K 4.5777 7.6383 117.3336 53.7433 34.2417 174.1743 97 P 4.7635 0.0000 0.0000 62.8295 31.7994 177.0750 98 V 3.6381 8.1427 116.8551 60.7252 32.8865 175.4721 99 K 3.9896 8.3029 124.0917 57.1726 33.0100 176.1903 100 N 4.4393 9.0441 123.2938 54.2111 36.3939 176.6571 101 V 3.6153 7.4967 121.4199 64.9444 30.7686 177.0542 102 D 4.2248 7.9867 119.1943 56.5159 39.1476 178.5790 103 L 3.9444 7.6326 120.0821 56.8234 41.7698 179.1241 104 W 4.5562 8.1737 118.9140 60.0465 29.0088 178.6285 105 Q 3.5682 7.8554 117.9410 58.6370 27.9156 178.7394 106 R 3.8333 7.5848 119.5751 59.2902 30.0783 178.3825 107 L 3.9745 8.5127 120.4914 58.1193 42.2263 178.1075 108 D 4.5608 8.7156 118.2539 57.5992 40.9257 178.1955 109 A 4.0520 8.0225 119.4907 55.2879 18.5555 179.2162 110 A 4.1246 7.9029 119.1421 55.3084 18.6109 179.8558 111 L 4.1800 8.4682 117.8888 57.8786 41.4791 179.8811 112 G 3.7901 7.9887 104.0679 46.8999 0.0000 174.7010 113 Q 4.4696 7.8220 118.8515 55.6774 28.9949 174.2448 114 H 5.0165 7.5122 115.8850 54.3416 33.9385 172.7776 115 Q 4.4864 8.7413 118.9783 54.9076 29.8571 175.0774 116 I 4.6219 8.2804 124.8885 59.0385 40.1412 175.0249 117 K 4.3811 8.4228 127.3024 54.3366 34.6876 174.4949 118 W 4.5502 8.5035 127.3414 54.9955 30.7498 175.2552 119 E 4.2061 9.1976 127.1867 54.0426 31.2716 175.1695 120 W 5.2208 8.4843 128.4295 56.4432 29.5508 176.6520 121 V 4.4246 8.6731 118.9271 59.7136 33.9741 175.7946 122 K 4.6153 8.4266 121.3640 55.1787 33.1847 178.5060 123 G 3.7682 8.9003 111.9627 46.3994 0.0000 173.8149 124 H 4.8461 8.1763 112.0287 55.0797 28.8121 174.5197 125 A 4.5995 7.8264 122.6899 52.0205 19.2505 177.1454 126 G 3.8975 8.0162 108.8880 46.0755 0.0000 173.7048 127 H 4.6552 8.8690 117.2667 53.9769 30.0438 175.1489 128 P 4.2707 0.0000 0.0000 65.9487 30.8209 178.8946 129 E 3.7800 7.7789 117.0609 59.1058 29.2574 178.7744 130 N 4.4706 8.0063 116.6755 56.3897 38.6292 177.3198 131 E 4.0056 8.1019 119.5647 59.3489 29.5229 179.2050 132 R 3.9121 7.9026 118.3756 59.5404 30.0693 178.3354 133 C 4.1890 8.0535 116.6401 62.7390 28.1074 175.4548 134 D 4.4370 8.1258 119.6020 57.4457 40.8274 177.9123 135 E 3.9325 8.1870 119.6057 59.3157 29.5542 178.8098 136 L 3.9428 8.3248 119.0199 57.6830 41.7738 179.1968 137 A 4.0468 8.3502 121.0539 55.4413 18.1242 179.9395 138 R 3.8622 8.2336 115.2165 59.2605 30.5085 178.7872 139 A 4.1088 8.1802 120.3785 55.1949 18.3751 179.5361 140 A 3.8712 8.2382 119.1510 55.2477 18.2383 179.7014 141 A 4.0830 7.7869 117.9005 55.0962 18.4817 178.9859 142 M 4.3115 7.6418 115.3186 56.2137 33.6694 176.6110 143 N 4.9908 7.7779 117.2066 51.5979 39.8585 171.6166 144 P 4.4164 0.0000 0.0000 62.6563 32.5604 177.2254 145 T 4.4608 8.2431 109.4789 60.8490 70.4035 173.1682 146 L 4.6598 7.6523 122.0778 52.8119 44.7386 174.4494 147 E 4.9117 8.5174 120.4620 54.7936 31.3123 175.6597 148 D 4.7646 8.4793 126.0369 52.5673 40.2743 176.1577 149 T 3.8763 8.6002 119.2979 64.7964 67.4751 175.6539 150 G 4.1987 8.0133 106.5697 46.7713 0.0000 173.0133 151 Y 4.2199 7.6046 121.6948 57.6430 39.3078 175.1248 152 Q 4.1031 7.1070 124.2859 53.8508 32.7243 175.5380 153 V 3.6425 7.7653 121.8991 65.6154 32.5342 178.4437 154 E 4.3176 8.0973 118.0593 57.4430 28.7275 176.9334 155 V 3.6387 7.6372 123.1472 63.2209 31.8320 175.9966 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 8.30 4.42 0.00 1.99 2.04 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 2.47 2.57 0.00 2 L 8.40 4.09 0.00 1.78 1.77 1.00 0.66 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 3 K 8.73 4.26 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.36 7.81 4 Q 7.56 4.62 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.93 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 5 V 8.74 4.02 2.15 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 0.82 0.00 0.00 0.99 0.00 0.00 6 E 8.72 4.93 0.00 1.96 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 7 I 8.00 5.08 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.85 0.00 0.00 8 F 9.65 5.71 0.00 2.90 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 9 T 8.66 5.42 4.35 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 1.31 0.00 0.00 10 D 9.09 4.87 0.00 2.87 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 4.68 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 12 S 9.28 5.05 0.00 3.87 3.67 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 13 C 8.46 5.09 0.00 2.98 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 14 L 9.01 4.37 0.00 1.54 1.68 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.39 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.23 5.01 0.00 2.66 2.68 0.00 0.00 6.85 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 17 P 0.00 4.68 0.00 1.66 1.61 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 18 G 8.08 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 19 P 0.00 4.98 0.00 2.25 1.98 0.00 3.86 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 1.92 0.00 20 G 9.32 4.48 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 21 G 8.97 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 5.51 0.00 3.20 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 23 G 9.40 4.48 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 24 A 9.66 5.57 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.96 5.00 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 1.02 0.00 0.00 26 L 9.21 5.09 0.00 1.94 1.77 0.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.52 4.94 0.00 1.86 1.95 0.00 3.18 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 28 Y 8.41 5.02 0.00 2.92 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 29 R 9.19 3.77 0.00 1.79 0.85 0.00 3.14 0.00 0.00 2.82 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 30 G 8.94 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 0.00 0.00 0.00 31 R 7.79 4.42 0.00 2.05 1.86 0.00 3.06 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 32 E 8.42 4.71 0.00 1.95 1.84 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 2.20 2.35 0.00 33 K 9.13 4.48 0.00 1.77 1.33 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 1.36 7.81 34 T 8.05 5.02 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 1.27 0.00 0.00 35 F 9.05 5.02 0.00 3.20 3.20 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 0.00 36 S 8.88 4.57 0.00 3.79 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 37 A 7.28 4.45 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.35 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 39 Y 9.23 5.19 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.75 3.87 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 1.26 0.00 0.00 41 R 7.81 4.47 0.00 1.76 1.80 0.00 3.26 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.52 0.00 42 T 8.81 4.11 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 1.18 0.00 0.00 43 T 8.15 4.91 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 1.27 0.00 0.00 44 N 8.70 4.24 0.00 2.83 2.82 0.00 0.00 6.89 6.71 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 45 N 7.85 4.14 0.00 2.42 1.63 0.00 0.00 7.14 7.66 0.00 0.00 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 R 7.76 3.88 0.00 1.92 1.87 0.00 3.42 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 47 M 7.98 4.05 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.82 0.00 48 E 8.20 4.10 0.00 2.29 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 2.40 2.58 0.00 49 L 7.81 3.75 0.00 1.73 1.44 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.20 3.77 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.44 0.00 51 A 7.78 3.51 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.47 3.94 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 53 I 7.54 3.52 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.81 0.00 0.00 54 V 7.40 3.28 1.61 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 0.42 0.00 0.00 0.64 0.00 0.00 55 A 7.39 3.72 1.21 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 56 L 7.56 3.74 0.00 1.66 1.65 0.93 0.65 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 57 E 8.03 4.06 0.00 1.81 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 2.30 2.45 0.00 58 A 7.25 4.24 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 59 L 7.17 3.64 0.00 1.59 1.39 0.48 -0.41 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 60 K 8.70 4.50 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.58 7.81 61 E 7.69 4.71 0.00 2.02 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 2.28 2.34 0.00 62 H 8.32 4.65 0.00 3.07 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.93 4.99 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.64 4.73 0.00 1.88 1.84 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 2.30 2.28 0.00 65 V 8.88 4.67 1.84 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 0.68 0.00 0.00 0.70 0.00 0.00 66 I 8.38 4.52 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.09 0.77 0.00 0.00 67 L 8.37 4.76 0.00 1.07 0.60 0.70 0.61 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 68 S 8.39 5.34 0.00 3.87 3.41 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 69 T 8.93 5.06 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 1.66 0.00 0.00 70 D 8.80 5.40 0.00 2.96 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 71 S 8.10 4.50 0.00 4.07 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 72 Q 8.75 3.86 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 73 Y 7.52 4.15 0.00 3.24 3.20 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 0.00 74 V 8.21 3.64 2.20 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 1.11 0.00 0.00 0.99 0.00 0.00 75 R 7.25 2.51 0.00 0.67 1.25 0.00 2.29 0.00 0.00 2.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 76 Q 7.78 3.27 0.00 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 77 G 6.91 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 0.00 0.00 0.00 78 I 7.54 3.52 1.47 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 -0.36 0.38 0.00 0.00 79 T 7.43 4.04 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 1.09 0.00 0.00 80 Q 8.00 4.28 0.00 1.33 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 81 W 6.78 3.88 0.00 1.88 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 0.00 0.00 0.00 82 I 7.09 3.45 1.73 0.00 0.00 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 1.53 1.53 0.88 0.00 0.00 83 H 7.87 3.96 0.00 3.18 3.17 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.81 4.43 0.00 2.60 2.76 0.00 0.00 7.07 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.73 4.22 0.00 2.92 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 0.00 0.00 0.00 86 K 7.36 2.80 0.00 1.59 1.68 0.00 2.00 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 0.83 7.81 87 K 7.07 4.17 0.00 1.76 1.77 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.28 7.81 88 R 7.58 4.42 0.00 1.86 1.92 0.00 3.21 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 89 G 7.96 3.99 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 0.00 0.00 0.00 90 W 8.73 3.49 0.00 3.39 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 91 K 7.33 4.99 0.00 2.04 1.64 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.33 7.81 92 T 8.50 4.32 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 1.15 0.00 0.00 93 A 8.54 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 94 D 8.02 4.68 0.00 2.78 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 95 K 7.91 3.86 0.00 1.93 1.94 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.53 7.81 96 K 7.64 4.58 0.00 1.79 1.65 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.35 7.81 97 P 0.00 4.76 0.00 1.86 1.93 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 98 V 8.14 3.64 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 0.00 0.00 0.03 0.00 0.00 0.26 0.00 0.00 99 K 8.30 3.99 0.00 1.79 1.86 0.00 2.00 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 100 N 9.04 4.44 0.00 3.29 2.95 0.00 0.00 6.87 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.50 3.62 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 0.74 0.00 0.00 0.64 0.00 0.00 102 D 7.99 4.22 0.00 2.82 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 0.00 103 L 7.63 3.94 0.00 1.53 1.54 0.79 0.85 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 0.00 104 W 8.17 4.56 0.00 3.39 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.86 3.57 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 106 R 7.58 3.83 0.00 1.89 2.01 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 107 L 8.51 3.97 0.00 1.80 2.03 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.72 4.56 0.00 3.23 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 0.00 109 A 8.02 4.05 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 0.00 110 A 7.90 4.12 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 0.00 111 L 8.47 4.18 0.00 2.06 1.93 1.33 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.99 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 0.00 113 Q 7.82 4.47 0.00 1.75 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 114 H 7.51 5.02 0.00 2.98 3.22 0.00 5.64 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 0.00 115 Q 8.74 4.49 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 116 I 8.28 4.62 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 -0.30 0.00 0.00 117 K 8.42 4.38 0.00 1.65 1.64 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.23 7.81 118 W 8.50 4.55 0.00 2.63 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 0.00 0.00 0.00 119 E 9.20 4.21 0.00 1.76 1.77 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 2.18 2.21 0.00 120 W 8.48 5.22 0.00 3.25 3.03 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 0.00 121 V 8.67 4.42 2.18 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 0.95 0.00 0.00 1.04 0.00 0.00 122 K 8.43 4.62 0.00 1.70 1.66 0.00 1.80 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.41 7.81 123 G 8.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.18 4.85 0.00 3.31 3.41 0.00 5.48 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.83 4.60 1.09 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 0.00 126 G 8.02 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 0.00 127 H 8.87 4.66 0.00 3.26 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.27 0.00 2.06 2.07 0.00 3.59 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 2.08 2.17 0.00 129 E 7.78 3.78 0.00 1.16 1.12 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 1.47 2.00 0.00 130 N 8.01 4.47 0.00 2.98 2.97 0.00 0.00 7.00 7.78 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 0.00 131 E 8.10 4.01 0.00 2.14 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 2.41 2.37 0.00 132 R 7.90 3.91 0.00 1.97 2.01 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 8.05 4.19 0.00 3.33 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 0.00 134 D 8.13 4.44 0.00 2.93 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 0.00 135 E 8.19 3.93 0.00 2.23 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 2.31 2.36 0.00 136 L 8.32 3.94 0.00 1.89 1.70 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.35 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.23 3.86 0.00 1.76 2.01 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 139 A 8.18 4.11 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 0.00 140 A 8.24 3.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.79 4.08 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 0.00 142 M 7.64 4.31 0.00 2.03 2.29 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 2.61 2.83 0.00 143 N 7.78 4.99 0.00 2.60 2.63 0.00 0.00 7.18 7.28 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 0.00 144 P 0.00 4.42 0.00 2.22 2.11 0.00 3.73 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 1.96 1.94 0.00 145 T 8.24 4.46 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 146 L 7.65 4.66 0.00 0.76 1.35 0.60 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.52 4.91 0.00 1.96 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 2.29 2.33 0.00 148 D 8.48 4.76 0.00 2.65 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 0.00 149 T 8.60 3.88 4.30 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 1.23 0.00 0.00 150 G 8.01 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 0.00 0.00 0.00 0.00 151 Y 7.60 4.22 0.00 3.13 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 0.00 152 Q 7.11 4.10 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 153 V 7.77 3.64 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 0.78 0.00 0.00 0.89 0.00 0.00 154 E 8.10 4.32 0.00 1.85 1.71 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 2.25 2.31 0.00 155 V 7.64 3.64 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 0.68 0.00 0.00 0.87 0.00 0.00