NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5072 8.2893 120.3262 55.6982 33.4369 174.4773 2 Q 4.3743 7.5332 116.2799 53.4932 31.0990 172.2159 3 S 4.6712 7.9257 114.6516 58.6744 65.6999 176.6263 4 H 4.5371 8.3073 114.5417 55.7035 30.1833 173.3069 5 S 4.2381 8.1312 111.2465 57.9139 64.6781 175.6312 6 A 4.1781 8.3753 124.4553 51.9867 20.1459 175.8688 7 L 4.4063 8.1789 124.0919 55.2435 44.7727 174.8731 8 T 4.2453 7.6785 116.9332 61.1557 70.1507 172.1318 9 A 4.3867 8.2954 127.9597 51.7709 21.5645 175.2423 10 F 4.4463 8.4657 121.0325 57.5218 42.5375 172.9454 11 Q 4.3435 6.5494 123.1083 55.5163 32.2723 172.4566 12 T 4.1630 7.9057 119.4274 61.6048 70.3239 173.7560 13 E 4.3686 8.8107 123.7277 56.1360 26.7892 175.2301 14 Q 4.6552 7.3963 121.6762 54.1572 33.2651 174.9195 15 I 3.3512 8.2744 119.5818 62.0625 36.0300 174.3011 16 Q 4.6379 8.1880 115.7373 54.7938 27.3386 173.6192 17 D 4.6668 7.3531 119.7892 55.3590 47.3800 177.5783 18 S 4.2182 7.9226 115.0852 60.4519 62.9572 175.3663 19 E 4.3747 8.9914 129.6725 58.7688 30.0153 177.4501 20 H 3.9865 8.4437 119.0418 59.6435 29.4624 176.3204 21 S 4.1682 7.6630 115.8867 61.8693 62.7824 177.0447 22 G 3.7342 8.1119 107.8398 47.2550 0.0000 174.9494 23 K 3.8309 8.0850 121.8393 57.5484 33.3234 176.0261 24 M 2.7993 8.5964 116.0292 56.5233 29.7986 173.8005 25 V 3.4183 7.4037 120.2142 60.3931 31.9256 170.7288 26 A 3.6350 7.7855 128.4096 52.4440 15.3011 176.7982 27 K 4.2808 8.0269 119.8571 55.4366 33.2240 177.1397 28 R 3.9030 8.1329 116.7764 57.3594 29.1865 174.1639 29 Q 3.5367 8.4893 117.8473 55.9740 27.3271 173.9045 30 F 4.8896 7.9535 116.3987 58.8225 48.1100 174.6720 31 R 3.7801 8.1727 119.9675 56.1048 27.4025 174.5695 32 I 3.7255 7.9034 118.7147 60.3881 38.6989 176.5847 33 G 3.9609 8.1429 112.1765 45.9377 0.0000 173.5143 34 D 4.6983 8.2175 118.9948 54.2782 40.6945 176.4049 35 I 4.3375 7.6116 111.3316 60.1600 39.9671 176.2295 36 A 4.7534 7.8183 123.3362 52.0235 19.2068 178.8461 37 G 3.7809 9.6576 107.3266 49.9792 0.0000 175.6236 38 E 3.9210 9.8407 122.6317 57.0731 29.5956 175.8622 39 H 4.5105 9.2728 112.8535 58.8664 28.4706 177.0215 40 T 4.1051 7.4463 115.9256 65.3339 67.1440 176.1411 41 S 4.0657 8.1950 116.8528 61.7732 62.7373 176.5457 42 F 4.1871 8.7506 117.4131 59.9013 37.5773 176.4205 43 D 3.3700 6.5777 117.9353 54.8519 41.1417 177.1963 44 K 5.1969 6.8096 123.8226 57.5472 34.0738 174.0569 45 L 4.8250 8.1568 119.1978 53.1833 45.1458 175.2829 46 P 4.3502 0.0000 0.0000 62.2650 32.2556 175.2964 47 E 4.2406 8.3667 115.6228 56.2249 29.8108 176.7679 48 G 3.3601 6.8660 108.8124 46.5781 0.0000 173.7262 49 G 4.2980 8.4045 103.9662 46.4330 0.0000 173.7536 50 R 5.0705 8.1524 115.1829 55.6068 30.1513 174.4621 51 A 4.2778 8.6563 129.4878 51.5194 19.4914 177.7367 52 T 4.0069 7.9617 114.8016 61.7610 66.2665 176.7964 53 Y 4.4559 7.7289 123.8251 57.5344 36.9562 174.9078 54 R 4.5643 8.1209 117.2688 55.8275 31.7607 176.6874 55 G 4.5629 8.5363 111.3289 45.9245 0.0000 170.5032 56 T 5.0441 9.1368 113.8099 60.1752 70.7675 173.2546 57 A 5.2195 8.9195 129.1738 50.0256 19.0758 173.8505 58 F 4.7953 9.2430 116.7195 55.7948 40.0548 176.9734 59 G 4.1357 8.7791 110.0651 45.3852 0.0000 173.9907 60 S 4.3016 8.1357 114.4629 60.3816 62.6939 174.5458 61 D 4.7648 8.2231 116.7200 53.1640 41.3655 175.9234 62 D 4.5982 8.5524 115.0652 55.4934 39.8162 174.4009 63 A 4.3767 7.6721 123.1899 51.9289 17.1346 176.5312 64 G 4.2683 7.7050 108.5892 44.0945 0.0000 172.7761 65 G 4.2554 8.5588 107.8964 44.9295 0.0000 172.4671 66 K 5.0223 8.7781 118.7806 54.2545 35.1063 175.9465 67 L 4.4627 8.8202 127.4137 54.8142 42.8615 176.0522 68 T 4.4258 8.3042 123.4555 63.2748 70.0062 173.7248 69 Y 4.4533 8.4697 123.8034 56.5574 38.7075 176.6999 70 T 4.7614 7.9989 120.4664 62.2865 70.9716 171.4047 71 I 4.4844 7.2813 115.2585 58.6804 41.3072 175.6654 72 D 4.9367 8.5610 127.2700 53.2082 40.7374 177.3288 73 F 4.2875 9.9044 125.0392 60.4136 39.3613 177.6112 74 A 3.8460 8.3856 122.9693 54.5948 18.2483 178.4778 75 A 4.4508 7.5785 115.6784 50.5636 20.9819 173.6790 76 K 3.9984 8.3059 117.3865 56.9916 27.8422 175.4777 77 Q 4.5835 7.6838 121.1753 57.6684 29.2016 178.5568 78 G 4.0406 7.2501 103.7358 46.4381 0.0000 173.6810 79 N 4.6075 7.5907 116.5348 50.8787 40.9464 174.9414 80 G 3.9829 8.1510 110.5730 44.8596 0.0000 171.1441 81 K 4.6480 8.3763 120.2703 55.7137 33.8417 176.0788 82 I 5.0069 8.8030 125.6254 58.5531 40.3434 174.5451 83 E 4.7649 8.4041 127.1782 54.3152 33.1002 175.5546 84 H 4.7704 8.0055 115.7125 54.4889 30.5673 173.5875 85 L 4.7100 7.4303 120.2420 52.6709 43.9303 178.6085 86 K 4.1727 8.5831 119.6386 59.0706 32.8662 177.2452 87 S 4.7145 7.6357 115.0078 55.6146 66.2520 173.2791 88 P 4.4033 0.0000 0.0000 65.0117 31.2948 178.0669 89 E 3.3488 8.1286 117.7248 59.1785 29.2029 177.8772 90 L 4.2635 7.5721 115.1126 55.0771 41.9823 176.9917 91 N 4.7514 8.1797 118.5831 52.8463 38.4703 173.4381 92 V 4.4876 8.9037 124.5499 59.7478 33.9088 174.6306 93 D 4.7732 8.8266 126.7214 53.2539 42.1849 175.1730 94 L 4.4000 8.3846 127.0573 54.3318 42.1152 177.1707 95 A 4.3455 8.7642 126.1214 51.2193 19.4241 177.1685 96 A 4.1109 8.4077 121.8654 52.3469 19.6155 176.4379 97 A 4.8078 7.9226 120.1972 51.2469 23.0777 174.3316 98 D 5.2673 8.4767 117.0122 52.2233 43.0088 175.7874 99 I 4.5321 8.4779 119.8596 59.2208 36.9201 174.7585 100 K 4.4514 9.6675 125.2395 57.5626 33.5386 177.1264 101 P 4.3622 0.0000 0.0000 62.9373 32.5210 173.3302 102 D 4.6083 9.1902 119.9637 54.9648 39.0795 176.4117 103 G 3.4443 7.2727 106.1940 45.3566 0.0000 170.6235 104 K 4.2169 8.9306 117.1894 56.3720 30.8662 176.6166 105 R 4.6086 8.1737 120.1087 55.7109 32.7133 174.5513 106 H 4.1060 8.4255 112.5293 56.9236 28.6219 174.5603 107 A 4.1493 7.7497 126.4338 55.1569 19.0519 177.6502 108 V 5.0143 8.7347 107.5598 59.6478 36.2678 174.9281 109 I 4.1080 9.1386 124.8903 61.2551 38.6086 174.8271 110 S 4.9544 8.7243 120.7114 56.8591 63.7519 173.0302 111 G 4.5599 9.3354 114.1039 45.0451 0.0000 170.5588 112 S 5.2787 8.3555 113.7431 57.3811 67.7943 173.7294 113 V 4.6503 8.8640 113.7681 59.5814 35.7483 175.0496 114 L 4.6661 8.8390 126.3009 53.5575 43.4844 175.4109 115 Y 4.4420 8.8703 131.1349 57.7588 36.2640 173.1254 116 N 4.3468 8.6245 121.8400 53.5114 39.0732 174.1957 117 Q 4.5496 7.6358 113.3585 55.0362 30.9470 174.5947 118 A 4.7149 8.1641 120.8144 51.5465 22.8503 176.5083 119 E 4.9589 8.2121 114.7662 54.5562 30.0573 177.2191 120 K 4.2802 7.6023 122.5701 54.7921 31.5214 175.4716 121 G 4.3670 7.2588 106.9600 45.3947 0.0000 172.6305 122 S 5.0089 8.6895 120.6707 57.5466 65.5445 172.1394 123 Y 5.3225 9.0119 120.2775 56.8836 42.6558 173.2527 124 S 4.8519 8.4260 117.8442 57.0217 66.6740 172.6171 125 L 4.7879 8.6282 127.2898 53.7502 45.7999 174.4504 126 G 4.7325 9.1736 112.3649 43.3400 0.0000 171.6091 127 I 4.5751 7.3017 120.6330 60.0082 39.7921 174.0877 128 F 4.5316 9.3437 127.5255 57.6578 43.0617 174.9145 129 G 3.5179 6.6815 109.7317 44.2431 0.0000 173.7865 130 G 3.8341 7.0545 112.2725 45.8092 0.0000 174.8590 131 K 4.0959 7.5539 120.2595 58.3674 32.2151 179.1017 132 A 3.6443 7.1504 114.5763 54.1117 16.0924 175.5854 133 Q 4.5196 7.9042 120.1001 56.1397 32.3222 175.3998 134 E 5.0748 8.4169 117.3996 54.5597 33.0756 175.8331 135 V 4.8082 7.9469 114.0585 59.5874 36.1943 174.5811 136 A 4.9927 9.1144 125.7276 50.4777 22.4494 175.4937 137 G 4.1060 8.9920 108.8674 45.8268 0.0000 171.7138 138 S 5.1920 8.6730 114.0332 56.7902 67.7598 173.5455 139 A 5.1276 8.8110 124.3078 50.3531 20.7071 176.7682 140 E 5.1799 8.4871 118.6478 54.1798 28.3980 175.5854 141 V 4.2609 7.4955 118.0841 61.7961 34.3945 176.7099 142 K 4.6862 8.7724 120.3024 57.5910 35.1106 175.1924 143 T 4.2635 8.2340 114.2859 60.1713 71.1417 173.0233 144 V 3.6647 8.3356 120.4180 66.1857 31.7588 175.9456 145 N 5.0444 8.0540 115.1267 52.2381 39.4517 176.6862 146 G 3.8425 7.4453 108.6949 43.7675 0.0000 171.2541 147 I 4.2218 8.0659 121.6494 60.0107 35.7845 177.7685 148 R 4.1028 7.0748 126.7209 60.3169 31.8923 175.9010 149 H 4.8024 7.3490 116.5694 55.7092 26.2333 174.7698 150 I 3.9921 8.1895 120.2064 60.1960 38.0335 175.8924 151 G 3.4023 8.0452 116.3750 45.3842 0.0000 170.4625 152 L 5.2092 8.8056 128.9231 53.5502 43.8411 175.0345 153 A 5.1889 9.3321 128.1736 50.2243 22.0317 174.4525 154 A 5.1423 8.9639 123.6892 50.2491 23.1226 175.5760 155 K 4.7519 8.9465 121.3084 55.6154 34.7140 175.8269 156 Q 4.2402 8.6343 125.2782 56.4712 28.2669 176.2121 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 8.29 4.51 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 Q 7.53 4.37 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 3 S 7.93 4.67 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.31 4.54 0.00 3.21 3.23 0.00 5.56 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 5 S 8.13 4.24 0.00 3.75 3.69 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 6 A 8.38 4.18 1.20 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 7 L 8.18 4.41 0.00 1.53 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.68 4.25 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 1.22 0.00 0.00 9 A 8.30 4.39 1.20 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 10 F 8.47 4.45 0.00 3.01 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 11 Q 6.55 4.34 0.00 2.05 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 12 T 7.91 4.16 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 1.03 0.00 0.00 13 E 8.81 4.37 0.00 2.10 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 2.36 2.39 0.00 14 Q 7.40 4.66 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.72 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 15 I 8.27 3.35 1.94 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 1.65 0.99 0.99 0.00 0.00 16 Q 8.19 4.64 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 17 D 7.35 4.67 0.00 2.62 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 18 S 7.92 4.22 0.00 3.95 3.71 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 19 E 8.99 4.37 0.00 2.22 2.28 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 2.71 2.63 0.00 20 H 8.44 3.99 0.00 3.20 3.56 0.00 5.71 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 21 S 7.66 4.17 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.11 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.08 3.83 0.00 1.89 1.95 0.00 2.31 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.41 7.81 24 M 8.60 2.80 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 25 V 7.40 3.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.02 0.00 0.00 26 A 7.79 3.63 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 27 K 8.03 4.28 0.00 1.78 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.38 7.81 28 R 8.13 3.90 0.00 1.86 1.91 0.00 3.12 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 29 Q 8.49 3.54 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 30 F 7.95 4.89 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 31 R 8.17 3.78 0.00 1.93 1.97 0.00 3.34 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 32 I 7.90 3.73 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.86 0.00 0.00 33 G 8.14 3.96 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 0.00 0.00 0.00 34 D 8.22 4.70 0.00 2.70 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 35 I 7.61 4.34 1.94 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 1.48 0.60 1.02 0.00 0.00 36 A 7.82 4.75 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 37 G 9.66 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 0.00 0.00 0.00 38 E 9.84 3.92 0.00 2.20 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 2.24 2.27 0.00 39 H 9.27 4.51 0.00 3.73 3.55 0.00 5.58 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.45 4.11 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 1.27 0.00 0.00 41 S 8.20 4.07 0.00 4.14 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 42 F 8.75 4.19 0.00 3.36 3.39 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 43 D 6.58 3.37 0.00 2.54 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 44 K 6.81 5.20 0.00 1.91 1.80 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.05 1.17 7.81 45 L 8.16 4.82 0.00 1.80 1.86 1.12 1.16 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 46 P 0.00 4.35 0.00 1.70 1.67 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.50 0.00 47 E 8.37 4.24 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 48 G 6.87 3.36 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 0.00 49 G 8.40 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 0.00 0.00 0.00 0.00 50 R 8.15 5.07 0.00 2.00 2.00 0.00 3.24 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 51 A 8.66 4.28 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 4.01 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 1.23 0.00 0.00 53 Y 7.73 4.46 0.00 3.05 2.98 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 54 R 8.12 4.56 0.00 1.79 1.92 0.00 3.49 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 55 G 8.54 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.14 5.04 4.32 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 1.41 0.00 0.00 57 A 8.92 5.22 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 58 F 9.24 4.80 0.00 3.37 3.21 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 59 G 8.78 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 0.00 0.00 0.00 60 S 8.14 4.30 0.00 4.05 3.96 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 61 D 8.22 4.76 0.00 2.75 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 62 D 8.55 4.60 0.00 2.88 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 63 A 7.67 4.38 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 64 G 7.70 4.27 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 0.00 65 G 8.56 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 0.00 0.00 0.00 0.00 66 K 8.78 5.02 0.00 1.86 1.78 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 67 L 8.82 4.46 0.00 1.87 1.71 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.30 4.43 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 1.03 0.00 0.00 69 Y 8.47 4.45 0.00 3.31 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 70 T 8.00 4.76 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 1.11 0.00 0.00 71 I 7.28 4.48 1.43 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.29 -0.35 0.00 0.00 72 D 8.56 4.94 0.00 2.74 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 73 F 9.90 4.29 0.00 2.83 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 74 A 8.39 3.85 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 75 A 7.58 4.45 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 76 K 8.31 4.00 0.00 1.84 1.81 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.48 7.81 77 Q 7.68 4.58 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.33 0.00 0.00 0.00 0.00 0.00 2.56 2.27 0.00 78 G 7.25 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 79 N 7.59 4.61 0.00 2.63 2.60 0.00 0.00 7.17 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 80 G 8.15 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 0.00 0.00 0.00 81 K 8.38 4.65 0.00 1.70 1.68 0.00 1.41 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.69 7.81 82 I 8.80 5.01 1.98 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 1.22 1.60 0.99 0.00 0.00 83 E 8.40 4.76 0.00 1.78 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 2.17 2.20 0.00 84 H 8.01 4.77 0.00 3.17 3.23 0.00 5.74 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 85 L 7.43 4.71 0.00 1.69 1.58 0.97 0.89 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 86 K 8.58 4.17 0.00 1.85 1.97 0.00 1.42 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 87 S 7.64 4.71 0.00 3.90 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 88 P 0.00 4.40 0.00 2.13 2.26 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 89 E 8.13 3.35 0.00 1.63 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 2.18 2.26 0.00 90 L 7.57 4.26 0.00 1.77 1.71 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.18 4.75 0.00 2.63 2.72 0.00 0.00 6.51 7.55 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 92 V 8.90 4.49 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 1.00 0.00 0.00 1.00 0.00 0.00 93 D 8.83 4.77 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 94 L 8.38 4.40 0.00 1.31 1.19 0.54 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.76 4.35 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 96 A 8.41 4.11 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 97 A 7.92 4.81 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 98 D 8.48 5.27 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.48 4.53 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.91 0.00 0.00 100 K 9.67 4.45 0.00 1.96 2.13 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 101 P 0.00 4.36 0.00 2.18 2.10 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 102 D 9.19 4.61 0.00 2.90 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 0.00 103 G 7.27 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 0.00 104 K 8.93 4.22 0.00 2.00 1.90 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.57 7.81 105 R 8.17 4.61 0.00 1.90 1.96 0.00 3.43 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 106 H 8.43 4.11 0.00 3.54 3.38 0.00 5.80 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 0.00 107 A 7.75 4.15 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 0.00 108 V 8.73 5.01 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 0.66 0.00 0.00 0.96 0.00 0.00 109 I 9.14 4.11 2.11 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 1.11 0.75 1.08 0.00 0.00 110 S 8.72 4.95 0.00 3.88 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 0.00 111 G 9.34 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.36 5.28 0.00 3.75 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 0.00 113 V 8.86 4.65 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 0.83 0.00 0.00 0.99 0.00 0.00 114 L 8.84 4.67 0.00 1.70 1.53 0.97 0.90 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 0.00 115 Y 8.87 4.44 0.00 2.94 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 0.00 116 N 8.62 4.35 0.00 2.84 2.54 0.00 0.00 6.88 6.97 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 0.00 117 Q 7.64 4.55 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 118 A 8.16 4.71 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 0.00 119 E 8.21 4.96 0.00 2.20 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 2.17 2.19 0.00 120 K 7.60 4.28 0.00 1.77 1.83 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 121 G 7.26 4.37 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 0.00 122 S 8.69 5.01 0.00 3.99 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 0.00 123 Y 9.01 5.32 0.00 3.02 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 0.00 124 S 8.43 4.85 0.00 3.78 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 0.00 125 L 8.63 4.79 0.00 1.09 1.34 1.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.17 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.30 4.58 1.57 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.88 0.88 0.00 0.00 128 F 9.34 4.53 0.00 3.00 3.01 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 0.00 129 G 6.68 3.52 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 0.00 0.00 0.00 130 G 7.05 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 0.00 0.00 0.00 131 K 7.55 4.10 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 132 A 7.15 3.64 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 0.00 133 Q 7.90 4.52 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 134 E 8.42 5.07 0.00 1.94 1.83 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 2.24 2.26 0.00 135 V 7.95 4.81 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 -0.35 0.00 0.00 0.84 0.00 0.00 136 A 9.11 4.99 1.15 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 0.00 0.00 137 G 8.99 4.11 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 0.00 0.00 0.00 138 S 8.67 5.19 0.00 3.65 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 0.00 139 A 8.81 5.13 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 E 8.49 5.18 0.00 1.90 1.94 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 2.23 2.17 0.00 141 V 7.50 4.26 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 1.00 0.00 0.00 0.85 0.00 0.00 142 K 8.77 4.69 0.00 1.63 1.68 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.13 7.81 143 T 8.23 4.26 3.54 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 0.44 0.00 0.00 144 V 8.34 3.66 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 145 N 8.05 5.04 0.00 2.95 2.80 0.00 0.00 7.19 8.90 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 0.00 146 G 7.45 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 0.00 147 I 8.07 4.22 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.09 0.93 0.00 0.00 148 R 7.07 4.10 0.00 1.75 1.59 0.00 2.92 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 149 H 7.35 4.80 0.00 3.01 3.18 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 8.19 3.99 1.98 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 1.18 1.03 0.91 0.00 0.00 151 G 8.05 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 0.00 152 L 8.81 5.21 0.00 1.74 1.67 1.02 1.35 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 0.00 153 A 9.33 5.19 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 0.00 154 A 8.96 5.14 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 0.00 155 K 8.95 4.75 0.00 1.74 1.69 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 156 Q 8.63 4.24 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.28 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00