NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3004 8.2644 123.5826 52.3162 19.4351 176.1263 3 R 4.3457 8.6552 122.2964 55.6615 32.0610 173.9844 4 R 4.3096 8.5575 114.3404 57.1674 33.4477 176.2966 5 R 4.0751 8.3706 119.2319 56.7765 31.4884 177.6180 6 R 4.0371 8.6298 120.3416 57.1158 29.6783 176.8174 7 A 3.5043 8.1854 113.9383 52.3652 15.9555 177.4371 8 E 3.9649 8.5060 122.6118 56.7813 29.9734 177.6730 9 V 3.5449 8.3633 123.9677 62.7327 31.8940 175.6360 10 R 3.9945 8.5335 127.3784 56.7516 30.4637 174.8213 11 Q 4.6305 8.3387 122.6232 54.1603 31.2311 175.1017 12 L 4.4740 8.2710 124.3107 53.7038 43.2406 175.5247 13 Q 4.4806 8.2489 121.9019 53.5996 30.2625 173.7816 14 P 4.2799 0.0000 0.0000 62.4046 32.1528 174.9797 15 D 4.6459 8.6186 119.0233 54.9029 41.7385 176.2668 16 L 4.8459 8.4997 118.1949 54.4302 41.8684 176.9707 17 V 4.1607 7.6904 116.8382 63.9188 33.6922 175.4310 18 Y 4.2685 9.6462 116.2892 57.2512 38.2922 176.9722 19 G 4.1348 8.1750 102.5043 45.4625 0.0000 171.0071 20 D 4.4055 7.8697 119.1432 52.3242 44.6784 176.7858 21 V 3.8124 8.4893 121.7257 64.0216 31.4163 178.3790 22 L 4.0110 8.9871 120.0438 57.9283 41.4578 179.3311 23 V 3.0539 7.8907 118.9954 65.7586 31.3160 178.2038 24 T 3.7672 7.7835 108.8849 64.6071 68.3767 176.0070 25 A 3.9558 8.5411 124.6162 55.0527 18.2035 179.3903 26 F 4.1428 7.9739 118.8007 61.6270 39.2471 177.4258 27 I 3.4333 6.9750 117.8536 64.1508 37.1565 177.8446 28 N 4.4019 8.4455 117.9989 56.2411 38.1192 177.5988 29 K 3.9777 7.3561 118.0364 59.1944 32.1548 179.2150 30 I 3.7257 6.8814 119.4603 62.6801 37.2304 176.3508 31 M 4.1273 7.0968 119.7862 55.2683 32.8908 175.4358 32 R 4.5237 8.1409 124.1190 55.6173 33.2227 175.3404 33 D 4.3275 9.6332 120.1294 55.0673 38.3968 174.5126 34 G 3.9224 8.2821 104.3836 46.5844 0.0000 175.7903 35 K 4.3240 7.7316 119.4722 55.7582 31.0535 178.7463 36 K 3.8007 8.0711 122.0619 59.9977 32.0199 176.2288 37 N 4.3131 8.1587 116.7120 56.4909 39.0262 176.3987 38 L 3.9561 8.2953 121.8444 58.1998 42.2737 178.8671 39 A 4.0127 8.0370 119.8059 55.2015 18.2124 178.7089 40 A 3.8362 7.8478 120.0704 54.7946 18.3639 179.5556 41 R 3.9285 8.1330 114.3974 59.7424 30.2644 179.0131 42 I 3.7903 7.8172 118.5632 64.6596 37.2633 177.6615 43 F 4.3751 7.9847 120.4805 61.9014 39.0809 176.8166 44 Y 4.1581 7.5123 115.8773 61.3311 37.5173 178.2961 45 D 4.3828 8.8658 119.0336 57.2989 41.1326 178.7300 46 A 4.1811 7.6462 121.2998 55.1759 18.6128 179.1484 47 C 3.9614 7.8062 115.1786 63.1112 28.0766 176.5784 48 K 4.1228 8.4333 119.9013 58.9509 31.7336 179.2985 49 I 3.8219 8.1486 120.4107 64.2127 36.6849 177.7155 50 I 3.8490 7.5969 120.6056 63.6810 37.1379 177.3056 51 Q 4.3141 7.8977 121.3225 59.4349 28.8699 178.7813 52 E 4.0247 8.4444 119.1095 58.2166 30.2376 177.5331 53 K 4.3198 8.4835 124.2783 55.0288 31.7490 176.3183 54 T 4.3398 7.1858 114.0253 60.8435 69.1852 171.3684 55 G 3.8169 8.0624 115.7223 46.1063 0.0000 173.5721 56 Q 4.6364 7.2467 116.5274 53.5675 31.0915 175.4022 57 E 4.5440 8.4677 118.6269 54.8127 31.0095 175.0686 58 P 4.3220 0.0000 0.0000 65.6118 31.2750 177.8358 59 L 3.8408 8.1891 117.0628 57.5099 41.4687 177.8983 60 K 4.3290 9.0374 119.5470 59.1382 32.9476 177.5468 61 V 3.4720 7.9979 116.8094 66.2261 31.0771 177.1955 62 F 3.8240 8.3506 119.5092 61.5879 39.2398 177.6029 63 K 3.8808 8.0005 117.9588 59.7922 31.7378 178.0343 64 Q 4.0914 8.6538 119.2109 58.3101 28.9791 177.3368 65 A 3.9814 7.7749 120.6050 55.3946 18.8236 179.3437 66 V 3.4299 7.5882 116.6642 65.7408 31.5102 178.0044 67 E 4.0390 7.4440 119.2236 59.2314 29.3418 178.0004 68 N 4.6420 8.0964 112.4372 53.7025 38.4199 175.6012 69 V 4.3424 7.1413 117.0424 62.0685 32.9561 175.6431 70 K 4.0863 7.9855 118.9482 55.8694 31.2381 175.1260 71 P 4.4222 0.0000 0.0000 62.5909 30.9923 175.9769 72 R 4.0787 8.1614 124.0943 59.6155 30.0660 176.4996 73 M 5.1846 7.6322 114.7432 54.1264 36.9128 173.6852 74 E 4.8138 9.2201 119.0450 55.1426 34.3491 174.0671 75 V 4.8987 8.4339 112.6259 59.8583 33.3185 175.7417 76 R 4.6693 8.5607 125.3874 54.2784 31.8570 176.1018 77 S 4.3919 8.8323 119.5839 58.3328 62.8183 173.0401 78 R 4.4011 8.2518 127.2149 54.5741 32.7206 174.6911 79 R 4.6635 7.9192 119.6773 54.7513 32.4722 176.9633 80 V 4.1302 7.8384 111.4417 60.6507 36.1613 176.4832 81 G 3.8266 7.7988 106.0972 46.6577 0.0000 175.4055 82 G 4.1881 9.0365 109.2500 46.3437 0.0000 173.9730 83 A 4.3434 7.8722 119.8468 51.3463 22.5837 175.4777 84 N 4.8361 8.1828 120.3250 51.3789 36.5870 174.4250 85 Y 4.2964 7.3777 119.5003 58.7508 39.9224 176.1524 86 Q 4.7688 7.9359 120.4381 53.5424 28.7724 174.6380 87 V 3.9242 8.0334 122.6831 62.4082 33.0520 172.5143 88 P 5.5316 0.0000 0.0000 61.9470 33.6126 173.9600 89 M 4.5438 8.9427 117.6896 54.6902 34.8491 174.0117 90 E 4.4803 8.9593 119.0330 56.5709 30.1928 176.7814 91 V 4.2572 7.9651 120.0650 60.6345 33.3235 175.9395 92 S 4.0890 8.6996 121.3486 58.3261 63.6164 172.7535 93 P 3.9785 0.0000 0.0000 66.6733 30.6124 178.3017 94 R 3.8438 8.0307 116.7531 59.3374 29.9739 178.5705 95 R 3.7874 7.8190 117.3425 59.6087 29.8118 178.1425 96 Q 3.9123 8.7601 120.2286 59.2168 28.9183 178.4208 97 Q 3.8763 8.2834 120.6583 59.1852 29.1922 177.6821 98 S 4.0187 8.2394 116.6011 62.1869 62.8853 176.6072 99 L 3.2419 8.0765 121.3156 57.0588 41.1330 179.0206 100 A 4.0283 7.3244 119.6220 55.6256 18.2650 179.2638 101 L 3.9831 8.3013 116.9696 58.3678 41.7961 179.6775 102 R 3.8867 8.0483 118.1210 59.3076 30.0114 178.1216 103 W 4.6619 8.5637 118.7469 60.1705 29.2218 178.1340 104 L 4.0498 8.2390 118.5007 58.1855 40.9459 179.5018 105 V 3.6104 7.4159 116.4718 66.9135 31.7060 177.4250 106 Q 4.0058 8.4444 116.8410 59.2180 28.7141 178.8277 107 A 3.9980 9.0166 121.1758 55.6407 18.6216 179.6457 108 A 4.1459 8.2059 118.8010 55.3921 18.2971 179.1659 109 N 4.6133 7.9524 110.3741 54.3401 38.3439 175.6972 110 Q 4.5012 7.6881 120.4121 56.7386 31.2626 176.9048 111 R 4.0536 7.4744 115.7245 55.6843 30.4869 175.7680 112 P 4.4972 0.0000 0.0000 64.2322 31.5046 176.5985 113 E 4.0908 7.4943 118.9756 56.7122 29.9487 177.2828 114 R 4.0457 8.6947 123.0605 59.4117 30.4469 177.8213 115 R 4.1179 7.6720 114.2788 55.5855 30.3060 175.8387 116 A 4.1036 7.9416 121.0799 52.9917 17.6381 179.5868 117 A 3.9424 8.0216 116.8972 54.8499 19.0064 180.1001 118 V 3.7038 7.8644 110.1015 64.8032 31.5390 178.6608 119 R 3.9030 8.3032 117.7499 59.2909 29.8927 178.7997 120 I 4.0025 7.9324 118.6344 64.9631 37.1643 177.6369 121 A 4.0360 9.3062 121.5243 55.7248 18.1299 179.0381 122 H 4.1555 8.9049 113.8435 59.1404 28.9070 177.6232 123 E 3.9722 9.1600 121.9088 59.3377 29.4093 178.8882 124 L 3.9785 8.3923 119.3503 57.9383 41.6894 179.3133 125 M 4.0667 8.2442 118.6434 58.6381 31.9935 178.5183 126 D 4.3562 8.3033 118.6931 57.3682 40.8466 178.6440 127 A 3.9051 8.2666 121.0341 54.9907 18.2223 179.1144 128 A 3.9585 8.4103 118.4886 55.5150 18.5513 178.9658 129 E 4.0226 8.2900 116.4445 59.5208 30.8821 177.5397 130 G 4.5066 8.3223 107.1031 44.9446 0.0000 173.5220 131 K 4.3513 7.2025 107.4979 54.9733 33.9620 176.3207 132 G 4.2103 7.6778 105.6512 44.1639 0.0000 174.3158 133 G 3.8519 8.6321 107.1516 47.6388 0.0000 175.8749 134 A 4.0078 7.7843 121.6713 55.2240 18.3402 179.9332 135 V 3.5608 7.5968 116.2891 65.5437 31.6692 177.7989 136 K 3.7631 8.4466 119.9579 59.6902 31.8776 178.9466 137 K 3.9012 8.1676 118.4123 58.9041 31.6323 178.7727 138 K 3.8703 7.3291 120.5005 59.0385 32.1760 178.4191 139 E 3.9118 8.6112 118.8296 59.6204 29.3351 179.0279 140 D 4.2879 8.2373 117.4275 57.1907 41.2993 178.1178 141 V 3.8422 7.1989 117.1160 65.4792 31.8937 177.8397 142 E 4.3541 8.3024 119.4515 58.4771 28.9618 179.5203 143 R 4.0691 7.7732 118.0429 59.3321 29.2853 178.4032 144 M 4.1456 7.8858 118.1026 56.8932 31.8404 176.2103 145 A 4.7531 7.3981 120.6309 51.0584 21.4521 177.6360 146 E 3.6983 8.8372 119.5213 57.6805 28.6558 176.4604 147 A 4.1651 9.0085 121.6930 54.5614 18.8970 177.8899 148 N 5.0195 7.6204 108.9363 53.2224 39.0883 176.7311 149 R 4.0167 7.9788 119.1570 58.1608 30.4163 178.3267 150 A 3.8121 7.9149 119.6616 56.1560 18.5434 178.0638 151 Y 3.9662 7.8847 111.0785 57.8714 38.4094 177.2692 152 A 4.2213 7.4850 123.6545 54.6927 18.5677 177.8417 153 H 4.6376 7.7121 110.6167 56.3779 29.0656 175.5575 154 Y 5.1402 7.8979 114.3563 59.3243 39.7534 178.7008 155 R 3.7635 8.4238 120.7910 57.5264 30.7501 176.1060 156 W 4.2355 8.3545 119.7290 56.8410 30.2250 174.2263 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 2 A 8.26 4.30 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 3 R 8.66 4.35 0.00 1.84 1.92 0.00 3.19 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 4 R 8.56 4.31 0.00 1.80 1.68 0.00 3.27 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 5 R 8.37 4.08 0.00 1.91 1.84 0.00 3.17 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 6 R 8.63 4.04 0.00 1.75 1.89 0.00 3.31 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 7 A 8.19 3.50 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 8 E 8.51 3.96 0.00 1.96 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 2.31 2.29 0.00 9 V 8.36 3.54 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 0.91 0.00 0.00 10 R 8.53 3.99 0.00 1.79 1.82 0.00 3.23 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 11 Q 8.34 4.63 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 12 L 8.27 4.47 0.00 1.67 1.57 0.97 0.88 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 13 Q 8.25 4.48 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 14 P 0.00 4.28 0.00 2.10 2.09 0.00 3.75 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 2.05 2.12 0.00 15 D 8.62 4.65 0.00 2.83 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 16 L 8.50 4.85 0.00 1.73 1.67 0.98 0.82 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 17 V 7.69 4.16 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.67 0.00 0.00 18 Y 9.65 4.27 0.00 2.93 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 19 G 8.18 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.87 4.41 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.81 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 1.19 0.00 0.00 0.95 0.00 0.00 22 L 8.99 4.01 0.00 1.78 1.92 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.89 3.05 2.14 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 0.92 0.00 0.00 0.85 0.00 0.00 24 T 7.78 3.77 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 1.28 0.00 0.00 25 A 8.54 3.96 1.46 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 0.00 0.00 26 F 7.97 4.14 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 6.97 3.43 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.46 0.82 0.00 0.00 28 N 8.45 4.40 0.00 2.78 2.80 0.00 0.00 6.95 6.55 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 29 K 7.36 3.98 0.00 1.62 1.74 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.55 7.81 30 I 6.88 3.73 1.78 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.29 0.81 0.00 0.00 31 M 7.10 4.13 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 32 R 8.14 4.52 0.00 1.84 1.75 0.00 3.31 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 33 D 9.63 4.33 0.00 2.81 2.74 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 34 G 8.28 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 35 K 7.73 4.32 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 36 K 8.07 3.80 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 37 N 8.16 4.31 0.00 2.81 2.81 0.00 0.00 6.86 6.66 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 38 L 8.30 3.96 0.00 1.78 1.80 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.04 4.01 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 40 A 7.85 3.84 1.45 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 0.00 0.00 41 R 8.13 3.93 0.00 2.06 2.07 0.00 3.21 0.00 0.00 3.21 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 42 I 7.82 3.79 2.05 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 1.43 1.15 0.98 0.00 0.00 43 F 7.98 4.38 0.00 3.00 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 44 Y 7.51 4.16 0.00 3.30 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 45 D 8.87 4.38 0.00 2.78 2.79 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 46 A 7.65 4.18 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 47 C 7.81 3.96 0.00 3.16 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 48 K 8.43 4.12 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.73 7.81 49 I 8.15 3.82 2.00 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 1.79 0.80 0.91 0.00 0.00 50 I 7.60 3.85 2.10 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 1.84 0.72 0.97 0.00 0.00 51 Q 7.90 4.31 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 52 E 8.44 4.02 0.00 2.08 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 2.51 2.50 0.00 53 K 8.48 4.32 0.00 1.85 1.83 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.40 7.81 54 T 7.19 4.34 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 1.30 0.00 0.00 55 G 8.06 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 56 Q 7.25 4.64 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 57 E 8.47 4.54 0.00 2.20 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 2.37 2.32 0.00 58 P 0.00 4.32 0.00 2.05 1.94 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 59 L 8.19 3.84 0.00 2.06 1.93 1.05 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.04 4.33 0.00 1.85 2.01 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.49 7.81 61 V 8.00 3.47 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 1.00 0.00 0.00 0.96 0.00 0.00 62 F 8.35 3.82 0.00 3.11 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 63 K 8.00 3.88 0.00 2.09 2.10 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.55 7.81 64 Q 8.65 4.09 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 65 A 7.77 3.98 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 66 V 7.59 3.43 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 0.83 0.00 0.00 -0.07 0.00 0.00 67 E 7.44 4.04 0.00 2.16 2.08 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 2.30 2.38 0.00 68 N 8.10 4.64 0.00 2.81 2.83 0.00 0.00 6.81 7.61 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 69 V 7.14 4.34 2.14 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 1.10 0.00 0.00 1.08 0.00 0.00 70 K 7.99 4.09 0.00 1.96 1.95 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.64 1.59 7.81 71 P 0.00 4.42 0.00 2.39 2.58 0.00 3.98 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 72 R 8.16 4.08 0.00 1.85 2.27 0.00 3.33 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 73 M 7.63 5.18 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 74 E 9.22 4.81 0.00 2.10 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 2.24 2.34 0.00 75 V 8.43 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 0.81 0.00 0.00 0.98 0.00 0.00 76 R 8.56 4.67 0.00 1.94 2.08 0.00 3.23 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 77 S 8.83 4.39 0.00 3.89 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 78 R 8.25 4.40 0.00 1.28 1.55 0.00 2.56 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.17 0.00 79 R 7.92 4.66 0.00 1.51 1.62 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 80 V 7.84 4.13 1.88 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 0.29 0.00 0.00 0.52 0.00 0.00 81 G 7.80 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 82 G 9.04 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.87 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.18 4.84 0.00 2.54 2.71 0.00 0.00 6.99 7.46 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 85 Y 7.38 4.30 0.00 2.89 2.51 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 86 Q 7.94 4.77 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 87 V 8.03 3.92 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.14 0.00 0.00 88 P 0.00 5.53 0.00 2.16 2.08 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 89 M 8.94 4.54 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 90 E 8.96 4.48 0.00 1.98 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 2.33 2.32 0.00 91 V 7.97 4.26 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 0.79 0.00 0.00 1.03 0.00 0.00 92 S 8.70 4.09 0.00 3.88 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 93 P 0.00 3.98 0.00 2.28 2.31 0.00 3.74 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 2.06 2.07 0.00 94 R 8.03 3.84 0.00 1.83 1.97 0.00 3.11 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 95 R 7.82 3.79 0.00 1.82 2.00 0.00 3.16 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 1.61 1.60 0.00 96 Q 8.76 3.91 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 97 Q 8.28 3.88 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.46 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 98 S 8.24 4.02 0.00 3.83 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 99 L 8.08 3.24 0.00 0.90 0.13 0.74 0.40 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 0.00 100 A 7.32 4.03 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 0.00 101 L 8.30 3.98 0.00 1.81 1.83 0.92 0.94 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 0.00 102 R 8.05 3.89 0.00 1.82 1.86 0.00 3.01 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 103 W 8.56 4.66 0.00 3.57 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 0.00 104 L 8.24 4.05 0.00 2.15 2.05 0.96 0.82 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 0.00 105 V 7.42 3.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.74 0.00 0.00 106 Q 8.44 4.01 0.00 2.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 107 A 9.02 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.15 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.61 0.00 2.85 2.87 0.00 0.00 6.96 7.14 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 0.00 110 Q 7.69 4.50 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 111 R 7.47 4.05 0.00 2.09 2.19 0.00 3.29 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 112 P 0.00 4.50 0.00 2.19 2.19 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 113 E 7.49 4.09 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 2.54 0.00 114 R 8.69 4.05 0.00 1.80 1.99 0.00 3.38 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 115 R 7.67 4.12 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 116 A 7.94 4.10 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 0.00 117 A 8.02 3.94 1.46 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 0.00 0.00 118 V 7.86 3.70 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 0.76 0.00 0.00 0.90 0.00 0.00 119 R 8.30 3.90 0.00 1.95 2.17 0.00 3.38 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 120 I 7.93 4.00 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.09 1.32 0.00 0.00 121 A 9.31 4.04 1.46 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 0.00 0.00 122 H 8.90 4.16 0.00 3.42 3.38 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 0.00 123 E 9.16 3.97 0.00 2.12 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 2.56 2.49 0.00 124 L 8.39 3.98 0.00 2.03 1.72 1.14 0.78 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 0.00 125 M 8.24 4.07 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.62 0.00 126 D 8.30 4.36 0.00 2.87 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 0.00 127 A 8.27 3.91 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 0.00 128 A 8.41 3.96 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 0.00 129 E 8.29 4.02 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 130 G 8.32 4.51 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 0.00 131 K 7.20 4.35 0.00 1.80 1.82 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.30 7.81 132 G 7.68 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 0.00 133 G 8.63 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 0.00 0.00 0.00 134 A 7.78 4.01 1.48 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 0.00 135 V 7.60 3.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.03 0.00 0.00 136 K 8.45 3.76 0.00 1.82 1.91 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.59 7.81 137 K 8.17 3.90 0.00 1.36 0.74 0.00 1.48 0.00 0.00 0.82 0.00 0.00 2.21 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.15 1.27 7.81 138 K 7.33 3.87 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.27 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.65 1.61 7.81 139 E 8.61 3.91 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 140 D 8.24 4.29 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.20 3.84 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 1.10 0.00 0.00 0.84 0.00 0.00 142 E 8.30 4.35 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 143 R 7.77 4.07 0.00 2.07 1.98 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 144 M 7.89 4.15 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 145 A 7.40 4.75 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 0.00 146 E 8.84 3.70 0.00 2.16 2.14 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 2.21 2.24 0.00 147 A 9.01 4.17 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 0.00 148 N 7.62 5.02 0.00 2.87 3.07 0.00 0.00 6.64 7.54 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 0.00 149 R 7.98 4.02 0.00 1.84 1.94 0.00 3.49 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 150 A 7.91 3.81 0.75 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 0.00 151 Y 7.88 3.97 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.49 4.22 1.44 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 0.00 153 H 7.71 4.64 0.00 3.31 3.33 0.00 5.51 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.90 5.14 0.00 3.15 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 0.00 155 R 8.42 3.76 0.00 1.93 2.05 0.00 3.35 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.12 0.00 156 W 8.35 4.24 0.00 3.63 3.26 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