NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3163 8.3049 120.2927 55.0954 33.3223 174.4215 2 E 4.4135 8.6814 123.1000 54.5353 30.6685 170.5135 3 V 4.6392 8.2203 116.2208 59.4434 36.8691 175.4309 4 G 3.7492 8.6982 110.8631 48.4117 0.0000 173.9734 5 M 4.7597 7.4809 116.8419 53.4472 35.3427 174.0734 6 I 3.4971 8.2272 126.3791 59.9621 37.7512 174.4010 7 P 4.3271 0.0000 0.0000 62.9719 31.8631 176.6862 8 R 3.6190 8.4585 119.5690 58.0887 31.3664 176.3885 9 V 5.0037 7.7264 118.1463 61.1402 33.9754 174.4550 10 Y 4.8920 8.8970 128.1612 55.9061 42.6072 173.7928 11 L 4.6280 6.8332 127.3924 53.7840 44.8701 174.7209 12 G 3.9375 7.5495 112.2891 46.4340 0.0000 172.4870 13 H 4.9099 9.1967 114.7689 55.9410 29.2801 175.4856 14 E 4.8634 7.8590 120.1288 55.7933 31.7414 174.6115 15 W 4.9947 7.9887 125.8391 57.8322 33.5172 174.6770 16 F 4.0010 8.1773 123.6884 59.3665 39.6392 177.7257 17 G 3.7580 6.6494 104.1131 45.4459 0.0000 173.9817 18 A 3.7916 8.4217 121.4598 54.8888 18.3501 180.0872 19 E 3.8292 8.0333 116.5185 59.6621 29.5676 179.4899 20 R 3.8709 7.7984 118.0909 59.3077 30.1831 178.4392 21 I 3.4450 7.5588 119.5707 64.3817 36.8553 178.4822 22 L 3.9707 7.7512 118.7032 57.6700 41.4308 179.3292 23 S 4.2045 7.8618 112.4279 61.3349 62.4642 175.5893 24 E 4.2194 8.2540 120.2900 57.6203 29.6952 176.8623 25 Y 4.1243 7.8871 120.9484 57.4198 39.2637 174.7666 26 Q 4.1153 7.7681 126.5283 54.1206 29.5222 175.6652 27 V 3.6287 8.0126 123.8289 61.8308 32.2407 174.0408 28 P 4.4065 0.0000 0.0000 62.2394 31.8545 177.2736 29 E 3.9031 8.7660 121.0198 59.1196 29.1610 177.7087 30 D 4.6856 8.0686 116.5030 53.2489 40.1114 175.0730 31 C 5.0137 8.1538 118.8537 58.4953 29.8330 173.6205 32 G 4.2757 8.4625 109.5374 45.5828 0.0000 172.2135 33 A 4.9010 8.2204 121.3640 50.3122 23.0035 175.8475 34 Q 4.8279 8.5236 119.1302 54.1080 32.9212 174.8094 35 V 4.0747 8.5903 122.9331 60.9019 34.4294 173.6549 36 L 5.0753 8.4948 129.7145 53.1483 44.3960 174.9048 37 F 4.9336 9.2790 128.2119 56.2674 42.3491 173.6949 38 L 4.7627 7.4206 124.7497 52.6833 44.4627 175.8705 39 G 4.0567 8.7941 112.2773 44.9698 0.0000 172.4341 40 I 4.9413 8.1268 125.4231 58.4673 40.6998 173.7526 41 P 4.3801 0.0000 0.0000 63.1303 32.1190 175.9611 42 R 4.8297 8.5937 122.6510 54.7503 33.0423 175.4491 43 N 4.9691 8.1836 115.1500 52.3441 39.0283 174.1835 44 A 4.2845 7.5425 123.4386 51.2088 20.2464 177.0060 45 P 4.2628 0.0000 0.0000 65.6457 31.5473 178.7835 46 E 4.0737 8.2118 114.5733 58.5099 29.6358 177.1016 47 D 4.7677 8.2475 118.2270 53.9977 40.5120 176.5931 48 G 3.9816 8.2852 110.1689 44.2166 0.0000 175.6183 49 G 4.0323 8.0945 105.5963 46.5725 0.0000 173.1025 50 N 5.0027 7.7112 116.1940 53.0096 40.4502 173.5051 51 I 4.2381 8.5450 119.5174 60.9610 37.1010 175.3752 52 E 4.3972 9.0140 128.1749 57.5709 31.4635 174.9725 53 A 4.4096 7.1159 118.6884 51.4150 22.6584 174.7851 54 L 4.9045 8.4026 118.5521 52.8100 45.6971 175.6508 55 E 4.8131 8.9155 123.1179 54.6859 32.0924 174.0458 56 Y 4.9443 8.7228 125.0013 56.5216 40.3661 174.7723 57 E 4.6859 8.0607 121.8238 54.6344 34.4043 173.9577 58 A 3.5287 7.2274 120.7220 52.0699 22.4244 176.5038 59 Y 4.7455 8.0485 117.4721 55.9849 37.0098 175.3199 60 P 4.1249 0.0000 0.0000 65.8336 31.6102 177.5318 61 E 3.9786 8.1620 116.1312 59.9108 29.6109 179.2615 62 M 4.0725 8.1634 117.8165 58.3451 32.0048 178.5988 63 A 3.9828 8.5538 121.1565 55.3390 18.6142 179.5967 64 I 3.6747 7.9058 117.1469 64.0569 37.9795 178.2814 65 K 3.9949 8.1165 119.6204 59.4256 31.8775 178.9841 66 E 4.0208 8.3293 119.6551 59.2759 29.4858 178.7517 67 M 4.0948 8.4693 119.3770 58.4734 32.0814 178.3565 68 E 3.9613 8.4248 119.4799 58.9872 29.7163 178.7881 69 K 3.9908 8.0368 119.9298 59.5363 32.2115 178.9345 70 I 3.8383 8.0235 120.2270 64.2861 37.0238 178.3392 71 R 3.9407 8.2673 119.7026 59.4520 29.9286 178.2938 72 Q 3.9817 8.2577 119.2801 59.3297 29.0636 178.1404 73 E 4.0087 8.4458 119.5586 59.6887 29.5171 179.4446 74 T 4.0464 8.4658 116.0426 66.7913 68.6023 176.6696 75 I 3.7335 7.8487 121.4509 64.5252 36.9618 178.4279 76 E 3.9406 8.0137 117.7918 59.3733 29.3819 179.3258 77 K 3.7720 8.3475 117.5339 58.6904 32.1478 178.5678 78 F 4.6862 7.9002 114.5802 56.0154 39.7951 176.1052 79 G 3.8904 8.0176 106.5078 46.5934 0.0000 174.6419 80 V 4.0708 7.7379 112.1462 60.1650 32.7862 176.2998 81 K 4.2661 8.7838 123.0259 59.2504 32.6377 176.4731 82 E 4.7575 7.8489 118.1477 55.1076 33.2586 174.0730 83 V 4.9074 7.9476 123.2190 61.4491 34.9098 173.8829 84 F 4.9731 9.4137 126.5401 55.8272 42.0726 174.9298 85 I 4.9792 9.2298 123.3696 60.3386 40.7579 173.8629 86 H 5.8163 9.6706 124.7292 54.4597 32.6491 172.6795 87 H 5.5676 9.3864 120.4525 55.0744 33.4790 172.9123 88 R 4.6296 8.5054 124.7436 55.8088 31.0033 175.7009 89 L 4.5450 8.5351 120.3933 54.0950 45.9298 178.0782 90 G 3.9677 8.7321 108.1390 44.3770 0.0000 172.2278 91 L 4.5418 8.1759 119.1788 54.8175 42.6334 177.1873 92 V 4.3265 8.7244 122.8416 60.9660 34.8216 174.9480 93 K 4.4301 8.6973 127.6167 55.9476 33.3867 176.9231 94 I 4.0007 7.5827 122.8460 63.0628 37.4056 177.0156 95 G 3.9674 8.7710 113.4993 45.0091 0.0000 173.0745 96 E 4.5335 7.5137 119.2130 53.6802 30.9706 174.2961 97 P 4.4651 0.0000 0.0000 62.9169 32.0233 176.1471 98 S 4.1155 8.9484 116.2391 57.7887 65.6471 173.4243 99 F 5.6503 7.8993 122.8367 56.4952 42.8735 172.8627 100 L 5.0909 9.6225 127.3836 53.3361 45.8576 175.0754 101 V 4.8355 8.5707 125.0506 61.0865 34.9728 173.5396 102 L 5.1446 8.8888 129.4756 53.1571 44.9488 174.6503 103 A 5.1957 8.8225 127.9864 50.0771 22.0796 175.0871 104 V 4.7491 8.7074 121.3767 61.1550 34.8840 174.8893 105 G 4.3294 9.1153 114.0597 45.2389 0.0000 173.7547 106 G 3.7967 9.0524 106.1588 47.0064 0.0000 173.5994 107 H 5.2280 8.7453 117.5160 52.4169 32.6171 175.1071 108 R 4.0346 8.5754 117.5648 59.3751 29.1041 178.1546 109 E 3.9953 8.4533 119.9104 59.6023 29.5015 178.6635 110 E 4.1470 8.1937 116.6914 59.4395 29.9579 178.9312 111 T 3.8411 7.7436 117.0402 66.3710 68.4858 176.7474 112 F 3.9408 8.6325 120.1534 60.4585 38.8957 177.8291 113 K 3.8457 7.8897 118.0205 59.2175 31.7554 179.1608 114 A 2.9929 7.7104 121.1595 54.9447 18.2819 179.1111 115 C 3.9218 7.7938 117.0311 62.7493 31.5684 175.7239 116 R 3.7701 7.9586 120.1515 59.4273 29.5391 177.7974 117 Y 3.9882 8.1632 119.2270 60.7141 38.8855 177.7956 118 A 4.0485 8.2857 121.7868 55.1540 18.5755 179.7832 119 V 3.6865 7.8926 116.5837 66.3382 31.6740 178.0088 120 D 4.3031 8.2214 118.8376 57.4941 40.6044 178.7229 121 E 3.8341 8.2681 119.4143 59.5148 29.2909 179.5020 122 T 3.8524 7.9209 115.7865 66.7421 68.3505 176.8301 123 K 3.8934 7.7098 118.6785 59.2962 32.0920 179.2193 124 K 4.1838 7.8027 117.8625 58.1949 32.1770 178.0039 125 R 4.4761 8.1024 115.9126 55.8949 32.3394 176.0376 126 V 4.0253 7.7827 118.7340 61.2157 32.1417 175.1938 127 P 4.8652 0.0000 0.0000 62.6213 29.4610 173.5941 128 I 4.7145 7.7644 125.7900 59.9045 40.9437 174.4223 129 W 5.3412 8.3117 123.4151 54.5732 31.8665 174.4592 130 K 4.7435 8.7081 120.1557 55.4038 35.0549 175.1842 131 K 4.5720 8.1128 120.7852 54.8854 35.6958 174.9056 132 E 4.2411 8.6855 126.5928 55.8471 30.7856 175.8990 133 I 4.1870 8.2436 124.5312 59.5948 39.7081 175.7682 134 F 5.0555 8.5785 125.9785 57.0164 41.0383 176.3229 135 K 4.2671 8.7216 118.4237 57.1098 32.2740 176.6716 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 4.32 0.00 1.86 1.35 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 2 E 8.68 4.41 0.00 2.05 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 2.25 2.39 0.00 3 V 8.22 4.64 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 0.91 0.00 0.00 1.06 0.00 0.00 4 G 8.70 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 5 M 7.48 4.76 0.00 1.92 1.88 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 2.50 2.55 0.00 6 I 8.23 3.50 1.84 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 1.23 0.57 0.36 0.00 0.00 7 P 0.00 4.33 0.00 2.39 2.04 0.00 2.53 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.89 0.00 8 R 8.46 3.62 0.00 1.62 1.68 0.00 2.60 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.00 9 V 7.73 5.00 2.11 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 0.84 0.00 0.00 1.04 0.00 0.00 10 Y 8.90 4.89 0.00 2.92 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 0.00 0.00 0.00 11 L 6.83 4.63 0.00 1.50 1.33 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.55 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.20 4.91 0.00 3.16 3.40 0.00 5.93 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 14 E 7.86 4.86 0.00 2.02 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 2.35 2.36 0.00 15 W 7.99 4.99 0.00 3.13 2.84 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 16 F 8.18 4.00 0.00 2.68 2.82 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 17 G 6.65 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.42 3.79 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 19 E 8.03 3.83 0.00 2.04 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 2.39 2.40 0.00 20 R 7.80 3.87 0.00 1.84 1.98 0.00 3.20 0.00 0.00 3.44 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 21 I 7.56 3.45 1.46 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.27 -0.09 0.00 0.00 22 L 7.75 3.97 0.00 1.59 1.67 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.86 4.20 0.00 3.87 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.25 4.22 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 25 Y 7.89 4.12 0.00 2.79 2.89 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 26 Q 7.77 4.12 0.00 1.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 27 V 8.01 3.63 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 0.85 0.00 0.00 1.02 0.00 0.00 28 P 0.00 4.41 0.00 2.35 1.94 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 29 E 8.77 3.90 0.00 1.94 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 0.00 2.30 2.29 0.00 30 D 8.07 4.69 0.00 2.82 2.89 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 31 C 8.15 5.01 0.00 3.11 2.99 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 32 G 8.46 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.22 4.90 1.19 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 34 Q 8.52 4.83 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 35 V 8.59 4.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.07 0.00 0.00 36 L 8.49 5.08 0.00 1.52 1.41 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.28 4.93 0.00 3.03 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 38 L 7.42 4.76 0.00 1.23 1.34 0.86 0.85 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 39 G 8.79 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.13 4.94 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.97 0.00 0.00 41 P 0.00 4.38 0.00 2.06 1.98 0.00 3.71 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 2.17 2.30 0.00 42 R 8.59 4.83 0.00 1.79 1.84 0.00 3.17 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 43 N 8.18 4.97 0.00 2.59 2.68 0.00 0.00 6.99 7.96 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 44 A 7.54 4.28 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 45 P 0.00 4.26 0.00 2.20 2.14 0.00 3.62 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 2.13 2.11 0.00 46 E 8.21 4.07 0.00 2.09 2.11 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 2.30 2.35 0.00 47 D 8.25 4.77 0.00 2.82 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 48 G 8.29 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 49 G 8.09 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 50 N 7.71 5.00 0.00 3.04 2.90 0.00 0.00 7.24 7.67 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 51 I 8.55 4.24 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.75 0.81 0.00 0.00 52 E 9.01 4.40 0.00 1.92 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 2.20 2.23 0.00 53 A 7.12 4.41 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 0.00 0.00 0.00 0.00 0.00 54 L 8.40 4.90 0.00 1.20 0.87 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.92 4.81 0.00 1.79 1.63 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 2.11 2.33 0.00 56 Y 8.72 4.94 0.00 2.76 2.57 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 0.00 0.00 0.00 57 E 8.06 4.69 0.00 1.16 1.16 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 2.11 2.32 0.00 58 A 7.23 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.05 4.75 0.00 3.09 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 60 P 0.00 4.12 0.00 2.18 2.11 0.00 3.72 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 61 E 8.16 3.98 0.00 2.04 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 0.00 2.42 2.43 0.00 62 M 8.16 4.07 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 63 A 8.55 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 64 I 7.91 3.67 1.86 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 1.54 1.33 1.03 0.00 0.00 65 K 8.12 3.99 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.62 7.81 66 E 8.33 4.02 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 67 M 8.47 4.09 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 68 E 8.42 3.96 0.00 2.10 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 0.00 2.32 2.38 0.00 69 K 8.04 3.99 0.00 2.03 2.02 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.51 7.81 70 I 8.02 3.84 2.10 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 1.43 0.73 0.99 0.00 0.00 71 R 8.27 3.94 0.00 1.91 2.13 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 72 Q 8.26 3.98 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 73 E 8.45 4.01 0.00 2.49 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 0.00 2.41 2.57 0.00 74 T 8.47 4.05 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 1.39 0.00 0.00 75 I 7.85 3.73 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.92 0.00 0.00 76 E 8.01 3.94 0.00 1.90 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 2.33 2.59 0.00 77 K 8.35 3.77 0.00 1.53 0.74 0.00 1.55 0.00 0.00 1.22 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.82 1.11 7.81 78 F 7.90 4.69 0.00 3.10 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 79 G 8.02 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 0.00 0.00 0.00 80 V 7.74 4.07 2.33 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 0.74 0.00 0.00 0.98 0.00 0.00 81 K 8.78 4.27 0.00 1.77 2.03 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.51 7.81 82 E 7.85 4.76 0.00 2.14 1.70 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 2.08 1.97 0.00 83 V 7.95 4.91 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 0.88 0.00 0.00 0.94 0.00 0.00 84 F 9.41 4.97 0.00 2.71 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 85 I 9.23 4.98 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 1.20 0.00 0.00 86 H 9.67 5.82 0.00 3.02 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 9.39 5.57 0.00 3.39 3.05 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.51 4.63 0.00 1.28 1.57 0.00 2.21 0.00 0.00 2.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 89 L 8.54 4.55 0.00 1.16 1.16 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.73 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.18 4.54 0.00 1.52 1.57 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.72 4.33 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 0.97 0.00 0.00 0.94 0.00 0.00 93 K 8.70 4.43 0.00 1.82 1.68 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.39 7.81 94 I 7.58 4.00 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.98 0.00 0.00 95 G 8.77 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.51 4.53 0.00 1.95 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 2.23 2.32 0.00 97 P 0.00 4.47 0.00 2.19 2.02 0.00 3.62 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 2.08 2.05 0.00 98 S 8.95 4.12 0.00 3.17 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 99 F 7.90 5.65 0.00 2.77 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 0.00 100 L 9.62 5.09 0.00 1.87 1.52 0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.57 4.84 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 0.82 0.00 0.00 0.61 0.00 0.00 102 L 8.89 5.14 0.00 1.55 1.31 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.82 5.20 1.18 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 0.00 0.00 0.00 104 V 8.71 4.75 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 1.22 0.00 0.00 0.76 0.00 0.00 105 G 9.12 4.33 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 0.00 106 G 9.05 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.75 5.23 0.00 3.47 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.58 4.03 0.00 2.40 2.33 0.00 3.18 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 109 E 8.45 4.00 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 110 E 8.19 4.15 0.00 2.47 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 2.42 2.42 0.00 111 T 7.74 3.84 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 1.14 0.00 0.00 112 F 8.63 3.94 0.00 3.23 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 0.00 113 K 7.89 3.85 0.00 1.70 1.52 0.00 1.85 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.51 1.71 7.81 114 A 7.71 2.99 1.23 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 0.00 115 C 7.79 3.92 0.00 2.91 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 0.00 116 R 7.96 3.77 0.00 2.05 2.02 0.00 3.08 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 117 Y 8.16 3.99 0.00 3.12 3.02 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 0.00 0.00 0.00 0.00 118 A 8.29 4.05 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 0.00 119 V 7.89 3.69 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 0.64 0.00 0.00 0.61 0.00 0.00 120 D 8.22 4.30 0.00 2.67 2.63 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 0.00 121 E 8.27 3.83 0.00 1.69 1.79 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 1.49 1.47 0.00 122 T 7.92 3.85 4.61 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 1.04 0.00 0.00 123 K 7.71 3.89 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.25 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.61 7.81 124 K 7.80 4.18 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.67 7.81 125 R 8.10 4.48 0.00 1.82 1.95 0.00 3.20 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 126 V 7.78 4.03 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 0.75 0.00 0.00 0.97 0.00 0.00 127 P 0.00 4.87 0.00 2.42 2.43 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 128 I 7.76 4.71 1.63 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 1.14 0.51 0.52 0.00 0.00 129 W 8.31 5.34 0.00 3.31 3.19 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 0.00 130 K 8.71 4.74 0.00 1.24 1.41 0.00 1.40 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.32 7.81 131 K 8.11 4.57 0.00 1.82 1.52 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.41 7.81 132 E 8.69 4.24 0.00 1.35 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 2.11 2.21 0.00 133 I 8.24 4.19 1.81 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 1.15 0.98 0.85 0.00 0.00 134 F 8.58 5.06 0.00 2.97 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 0.00 135 K 8.72 4.27 0.00 2.02 1.94 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81