NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0878 8.0549 120.3909 62.3710 32.2672 175.2856 2 L 3.9288 8.2474 127.4686 52.6328 42.2073 175.9760 3 S 4.6189 9.6586 118.4909 57.4374 66.5273 175.0539 4 E 4.2529 8.7632 121.3017 59.4752 29.2597 179.5681 5 G 3.8054 8.2146 105.2629 48.2162 0.0000 175.3520 6 E 3.9710 8.1942 121.3946 58.5988 29.3477 179.3842 7 W 4.4803 8.2850 119.2279 60.0462 29.0871 178.1947 8 Q 4.1100 8.6787 119.7088 59.2439 28.3183 178.5767 9 L 4.0589 7.9298 119.5536 57.7010 41.6835 179.5877 10 V 3.7657 7.9683 118.1242 66.1642 31.6264 177.7839 11 L 4.4520 8.5707 117.7176 56.6156 41.3943 178.7718 12 H 4.2306 8.4020 118.9020 59.2381 30.3306 177.2012 13 V 3.7296 7.8525 120.7987 64.5644 31.2290 178.1536 14 W 3.8326 8.6600 128.8529 59.9928 30.3203 177.8218 15 A 4.0191 7.9415 120.1638 54.9353 18.1390 179.4464 16 K 3.9174 7.6780 116.8306 59.2452 31.9264 179.7559 17 V 2.9395 6.9097 118.2866 65.4840 31.1452 177.4077 18 E 3.8443 7.4315 116.3587 58.0712 29.2959 178.3094 19 A 4.2093 7.3538 119.8422 53.4496 19.7864 177.4648 20 D 4.6547 7.9274 117.0161 52.2147 42.3930 175.7354 21 V 3.5068 7.7589 123.5597 65.9903 32.0938 176.7642 22 A 4.0542 7.9866 120.1764 55.0250 18.3916 179.6359 23 G 3.5803 8.5588 105.8913 47.7181 0.0000 175.6411 24 H 4.1558 8.3075 118.9527 58.3827 28.6480 178.1775 25 G 3.5508 8.1711 107.6328 47.8649 0.0000 175.5327 26 Q 3.9035 8.2567 121.2024 58.9246 28.7040 179.1338 27 D 4.2674 7.8994 119.3133 57.3021 40.8262 178.9371 28 I 3.6333 7.9878 120.6853 64.3601 37.0364 178.5361 29 L 3.4521 7.8544 119.8625 57.5342 41.2919 179.6185 30 I 3.5810 7.8014 120.1753 64.3178 36.9260 178.4661 31 R 3.8676 8.0499 119.6784 59.0038 29.7855 178.3051 32 L 3.9036 7.7777 120.2134 58.3444 41.6571 179.1261 33 F 4.5375 7.9752 118.0209 60.5820 38.5717 177.9685 34 K 4.0575 8.3807 117.8619 59.3941 31.8885 179.2943 35 S 4.3089 8.1744 115.1400 60.1979 64.2556 174.3859 36 H 4.7129 8.1129 118.4324 52.0633 29.1994 171.8930 37 P 4.6992 0.0000 0.0000 64.4650 30.9625 177.3262 38 E 4.0267 8.3615 116.5090 59.8162 29.1567 179.2951 39 T 4.0569 8.3128 111.0465 64.4517 68.9395 176.4797 40 L 3.7249 7.9229 123.2214 57.5670 41.7571 178.3191 41 E 4.0810 7.7921 117.2238 58.4430 29.6625 178.1772 42 K 4.4501 8.1316 116.9600 57.0580 32.4785 177.1586 43 F 4.6306 8.1867 119.1999 55.6924 40.2918 175.8294 44 D 4.3527 8.5346 125.2282 57.0639 40.4763 178.4309 45 R 3.8233 7.9393 118.6893 58.6217 30.0536 176.6093 46 F 5.0314 8.2143 113.5274 56.6586 40.7550 176.4200 47 K 4.1734 7.7223 118.6288 58.4283 32.4699 177.6244 48 H 4.3318 8.1109 114.6808 57.0661 28.8602 175.1337 49 L 4.2099 7.7361 121.6894 54.2246 41.1894 176.5931 50 K 4.4597 9.6526 123.7759 56.4059 33.3714 176.9437 51 T 4.7432 7.4024 108.9630 58.9002 73.2814 174.1932 52 E 3.8649 8.6385 121.8083 59.2780 29.7347 178.6802 53 A 3.9812 8.0080 120.4152 55.4027 18.1983 179.3002 54 E 3.9364 8.2421 116.0429 59.7395 29.8641 179.1561 55 M 4.1573 8.2450 118.8758 58.4468 31.8607 179.0041 56 K 4.0604 8.5132 116.9998 58.5720 32.2838 178.3725 57 A 4.4483 7.6298 119.2385 51.6161 19.2091 176.9499 58 S 4.3822 7.5336 113.9056 57.0692 62.7841 174.3839 59 E 3.9866 8.8971 129.3370 59.3824 29.4445 177.9258 60 D 4.4214 8.2085 117.7346 57.3321 41.3288 177.8865 61 L 3.6873 8.2062 120.9683 57.8612 42.0192 178.9000 62 K 3.9503 7.9441 119.3582 59.1943 32.1243 178.9122 63 K 3.9658 8.3859 119.1774 59.9189 31.9503 178.7963 64 H 4.4569 8.7688 118.6153 59.0147 29.6934 177.4970 65 G 3.5741 8.2774 107.8809 47.6964 0.0000 175.8372 66 V 3.6029 7.8148 120.6120 66.0150 31.6660 178.1407 67 T 3.8847 8.0008 115.4715 66.6882 68.2282 176.6864 68 V 3.6318 7.9629 120.1217 66.1785 31.5537 178.1695 69 L 4.2309 8.2875 118.9107 58.0620 41.4285 179.6247 70 T 4.0117 8.4598 116.0918 66.4516 68.4628 176.6557 71 A 4.0148 7.9995 122.3990 54.9787 18.3742 179.3739 72 L 3.7752 8.3247 119.4099 58.0756 42.0968 179.4335 73 G 3.2553 8.5323 105.7911 47.6661 0.0000 175.1972 74 A 4.0051 7.8416 122.2648 55.2393 18.6876 179.5576 75 I 3.8640 7.5223 117.5495 64.3716 37.1749 178.6653 76 L 3.9987 7.8836 120.1751 57.5787 41.1933 179.3661 77 K 4.0174 7.7754 116.6088 58.0660 32.2377 178.5571 78 K 3.9951 7.8369 117.8825 55.7020 32.6358 176.4883 79 K 2.0000 8.3595 118.2136 56.5020 29.7100 175.7439 80 G 3.9938 8.0418 106.4997 45.8233 0.0000 173.9090 81 H 4.5614 7.5833 119.2281 55.3008 27.5719 174.9414 82 H 5.2688 7.1254 110.0237 54.5396 29.7387 176.8858 83 E 3.9314 8.4392 122.9962 60.1778 29.2139 178.1670 84 A 4.0478 7.9325 119.3348 55.0838 18.4781 178.8864 85 E 4.1545 8.0970 116.6388 59.2452 29.7448 179.0811 86 L 4.1881 8.2560 119.2844 57.0608 41.5713 178.9553 87 K 3.8530 8.0448 120.2724 59.3701 32.1030 177.0037 88 P 4.2870 0.0000 0.0000 65.4046 31.2691 178.1438 89 L 4.0001 7.5248 120.4594 58.0070 42.0380 178.7434 90 A 4.1034 8.6938 121.1902 55.2363 18.2983 179.4296 91 Q 3.8251 8.3952 117.2235 59.2899 28.8093 179.5875 92 S 3.9875 8.1677 115.0402 61.6750 63.1710 176.1589 93 H 4.2813 8.7262 119.7008 57.9484 28.2005 177.7591 94 A 3.0312 7.8885 122.9107 54.6418 18.2037 179.0052 95 T 3.7332 7.2226 105.9797 62.2908 69.6473 175.6194 96 K 4.1571 7.4177 120.5936 58.3227 33.1319 176.8826 97 H 4.3691 7.9790 113.6027 55.8769 29.2969 175.1465 98 K 3.8021 7.6707 117.0571 57.4387 28.6478 175.9565 99 I 4.2669 7.9608 119.4326 58.8151 38.8767 175.0561 100 P 4.4773 0.0000 0.0000 62.1638 32.0961 177.4413 101 I 3.4642 8.3636 121.7231 64.5126 36.8338 178.6618 102 K 3.7793 7.8502 119.7967 59.4018 31.9310 178.0046 103 Y 4.0111 7.8735 116.4253 60.0595 37.7707 177.8552 104 L 4.1221 7.8945 120.7560 57.3544 41.6573 178.8549 105 E 3.9048 7.8674 118.9520 59.2922 29.7050 178.4392 106 F 4.4567 7.8345 117.9046 61.0397 39.0138 177.7122 107 I 3.9044 8.3340 117.7878 63.7875 37.7127 178.0396 108 S 4.2245 8.1614 116.5658 61.5621 62.5864 176.3296 109 E 4.0434 8.5611 121.1685 59.4135 29.1599 179.2642 110 A 4.0378 8.2055 120.8053 55.1522 18.4334 179.7242 111 I 3.6723 8.2777 118.7850 64.6282 37.2168 178.7217 112 I 3.8386 8.0181 120.6532 64.6897 36.9575 177.5765 113 H 4.0425 8.4601 119.0786 59.5368 29.6761 177.1454 114 V 3.5436 8.1485 119.7921 66.2651 31.3479 178.2032 115 L 3.8173 7.8798 118.4907 57.6950 41.0563 178.9631 116 H 4.4439 7.9550 117.6220 59.3180 29.9235 177.1911 117 S 4.1853 7.8935 116.0002 61.5001 62.7858 176.3299 118 R 4.1582 7.7300 118.3896 57.0999 31.2110 176.3671 119 H 5.0169 8.0970 116.4382 54.0670 29.9088 173.3183 120 P 4.3224 0.0000 0.0000 65.5336 31.7052 178.8160 121 G 3.7426 8.0836 106.5587 47.2018 0.0000 173.7920 122 D 4.9727 8.0717 117.9479 54.0862 41.5328 176.2827 123 F 5.0120 8.0154 120.9936 56.5101 39.7265 174.6349 124 G 3.8614 7.8239 108.1947 44.2265 0.0000 172.5407 125 A 3.9875 8.3955 120.8443 54.7768 18.2580 179.4138 126 D 4.1962 8.0358 117.1483 56.8750 39.2838 178.8246 127 A 3.9267 7.7619 122.2030 54.4394 18.3644 179.1992 128 Q 3.3506 7.8776 117.1083 58.9716 28.7326 179.6844 129 G 3.4620 8.2900 106.7290 47.6366 0.0000 175.7335 130 A 3.8969 8.0680 123.3696 55.0223 18.3088 179.4078 131 M 3.9961 8.4684 117.2295 58.6832 32.2907 177.8599 132 N 4.3087 8.4433 117.4903 56.7134 39.1219 177.0191 133 K 3.9244 8.0210 119.5676 59.3040 32.1199 179.2035 134 A 3.8660 8.0241 121.1993 55.1848 18.2886 179.7550 135 L 4.0458 8.3255 117.8534 57.7639 41.6214 179.4883 136 E 3.9854 8.6517 119.1897 59.3713 29.3568 179.1103 137 L 3.9960 8.0439 120.2731 58.0829 42.0893 178.7303 138 F 4.0266 8.3588 120.5838 61.4775 39.3012 177.4029 139 R 3.6446 8.1054 117.6979 58.7276 29.8109 178.8686 140 K 3.8241 8.4020 119.9370 59.8325 32.1333 178.6967 141 D 4.3753 8.2213 119.1007 57.1027 40.6234 178.9328 142 I 3.5224 7.6268 120.4598 64.1891 37.0077 178.1676 143 A 3.7760 8.3009 121.7317 55.1053 18.0678 179.5799 144 A 4.0131 7.9978 119.3371 55.2363 18.5433 180.0246 145 K 4.0486 7.8589 117.2273 59.3664 32.1245 178.9810 146 Y 4.0705 8.5682 117.7687 61.1931 37.8169 178.7556 147 K 3.9766 8.5893 120.6157 59.5408 32.0434 178.1463 148 E 3.9475 8.0047 118.4492 59.3652 29.6783 178.2973 149 L 4.4071 7.6816 115.6270 55.2945 41.9540 177.7108 150 G 3.8391 8.1624 107.4773 45.6948 0.0000 173.5115 151 Y 4.5141 8.2352 114.2465 57.3442 38.6527 176.7936 152 Q 4.1251 8.2206 122.7710 57.1530 29.5915 176.0753 153 G 4.0640 8.1570 110.6900 45.6978 0.0000 172.9696 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 V 8.05 4.09 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 1.04 0.00 0.00 0.96 0.00 0.00 2 L 8.25 3.93 0.00 0.59 0.64 0.53 -0.71 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 3 S 9.66 4.62 0.00 4.03 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 4 E 8.76 4.25 0.00 2.06 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 2.50 2.38 0.00 5 G 8.21 3.81 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 0.00 0.00 0.00 6 E 8.19 3.97 0.00 2.05 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 2.22 2.27 0.00 7 W 8.29 4.48 0.00 3.52 3.11 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 8 Q 8.68 4.11 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 9 L 7.93 4.06 0.00 1.96 1.75 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.97 3.77 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 1.22 0.00 0.00 0.89 0.00 0.00 11 L 8.57 4.45 0.00 1.85 1.81 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.40 4.23 0.00 3.29 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 3.73 2.46 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 1.01 0.00 0.00 0.84 0.00 0.00 14 W 8.66 3.83 0.00 3.72 3.25 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 0.00 15 A 7.94 4.02 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 16 K 7.68 3.92 0.00 1.40 1.55 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.72 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.39 7.81 17 V 6.91 2.94 0.67 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 0.04 0.00 0.00 0.14 0.00 0.00 18 E 7.43 3.84 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 19 A 7.35 4.21 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 20 D 7.93 4.65 0.00 2.63 2.52 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 21 V 7.76 3.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 22 A 7.99 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.56 3.58 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 0.00 0.00 0.00 24 H 8.31 4.16 0.00 3.23 3.23 0.00 5.82 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 25 G 8.17 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.26 3.90 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 27 D 7.90 4.27 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.99 3.63 2.01 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 1.51 0.69 0.88 0.00 0.00 29 L 7.85 3.45 0.00 1.30 0.80 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.80 3.58 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.86 0.00 0.00 31 R 8.05 3.87 0.00 1.90 1.99 0.00 3.04 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 32 L 7.78 3.90 0.00 1.76 1.43 1.06 0.97 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 33 F 7.98 4.54 0.00 2.96 2.92 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 34 K 8.38 4.06 0.00 1.73 1.83 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 35 S 8.17 4.31 0.00 3.78 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 0.00 36 H 8.11 4.71 0.00 3.03 2.80 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.70 0.00 2.14 2.10 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.36 4.03 0.00 2.26 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 1.98 2.34 0.00 39 T 8.31 4.06 4.55 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 0.00 0.00 0.00 1.00 0.00 0.00 40 L 7.92 3.72 0.00 1.27 1.75 -0.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.79 4.08 0.00 2.07 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 2.39 2.45 0.00 42 K 8.13 4.45 0.00 2.04 1.73 0.00 2.01 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.95 7.81 43 F 8.19 4.63 0.00 3.18 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 44 D 8.53 4.35 0.00 2.65 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 45 R 7.94 3.82 0.00 1.37 0.66 0.00 2.98 0.00 0.00 2.72 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.39 0.00 46 F 8.21 5.03 0.00 2.86 2.59 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 47 K 7.72 4.17 0.00 1.97 2.24 0.00 1.72 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.70 1.40 7.81 48 H 8.11 4.33 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.74 4.21 0.00 1.61 1.58 0.86 0.84 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 50 K 9.65 4.46 0.00 1.68 1.82 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.58 1.49 7.81 51 T 7.40 4.74 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 1.20 0.00 0.00 52 E 8.64 3.86 0.00 2.04 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 2.35 2.35 0.00 53 A 8.01 3.98 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 54 E 8.24 3.94 0.00 2.08 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 0.00 2.35 2.35 0.00 55 M 8.25 4.16 0.00 2.02 2.27 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 2.78 2.55 0.00 56 K 8.51 4.06 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.68 7.81 57 A 7.63 4.45 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 58 S 7.53 4.38 0.00 3.94 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 59 E 8.90 3.99 0.00 2.14 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 2.40 2.46 0.00 60 D 8.21 4.42 0.00 2.90 2.92 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 61 L 8.21 3.69 0.00 1.41 1.65 -0.24 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.95 0.00 1.89 1.96 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.39 3.97 0.00 2.18 1.95 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 64 H 8.77 4.46 0.00 3.65 3.54 0.00 5.79 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 65 G 8.28 3.57 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 0.00 0.00 0.00 66 V 7.81 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 67 T 8.00 3.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 68 V 7.96 3.63 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 1.18 0.00 0.00 0.97 0.00 0.00 69 L 8.29 4.23 0.00 1.79 1.90 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.46 4.01 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 1.26 0.00 0.00 71 A 8.00 4.01 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 72 L 8.32 3.78 0.00 1.55 1.72 0.22 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 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 0.00 0.00 0.00 74 A 7.84 4.01 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 75 I 7.52 3.86 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 1.00 0.00 0.00 76 L 7.88 4.00 0.00 1.31 1.53 -0.32 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.78 4.02 0.00 1.67 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.56 7.81 78 K 7.84 4.00 0.00 1.87 1.81 0.00 1.90 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.78 7.81 79 K 8.36 2.00 0.00 1.28 0.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.62 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.93 7.81 80 G 8.04 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 81 H 7.58 4.56 0.00 3.13 3.25 0.00 5.81 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 82 H 7.13 5.27 0.00 3.32 3.45 0.00 5.65 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 83 E 8.44 3.93 0.00 2.12 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 2.39 2.45 0.00 84 A 7.93 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.10 4.15 0.00 2.23 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 0.00 2.40 2.47 0.00 86 L 8.26 4.19 0.00 1.71 1.64 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.04 3.85 0.00 2.00 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 P 0.00 4.29 0.00 2.33 2.30 0.00 3.98 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.52 4.00 0.00 1.91 1.88 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.69 4.10 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 91 Q 8.40 3.83 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 92 S 8.17 3.99 0.00 3.93 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 0.00 93 H 8.73 4.28 0.00 3.49 3.57 0.00 5.81 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 94 A 7.89 3.03 -0.13 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 95 T 7.22 3.73 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 0.83 0.00 0.00 96 K 7.42 4.16 0.00 1.56 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.35 7.81 97 H 7.98 4.37 0.00 2.99 3.16 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.67 3.80 0.00 1.89 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.39 7.81 99 I 7.96 4.27 2.03 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 1.33 0.93 1.06 0.00 0.00 100 P 0.00 4.48 0.00 1.76 1.80 0.00 2.22 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 1.23 1.81 0.00 101 I 8.36 3.46 1.73 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.74 0.00 0.00 102 K 7.85 3.78 0.00 1.75 1.69 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 0.73 7.81 103 Y 7.87 4.01 0.00 3.06 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 0.00 104 L 7.89 4.12 0.00 1.82 1.84 0.69 0.85 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 0.00 105 E 7.87 3.90 0.00 1.94 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 2.43 2.42 0.00 106 F 7.83 4.46 0.00 3.23 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 0.00 107 I 8.33 3.90 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 1.07 0.00 0.00 108 S 8.16 4.22 0.00 4.22 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 0.00 109 E 8.56 4.04 0.00 2.27 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 2.65 2.60 0.00 110 A 8.21 4.04 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 0.00 111 I 8.28 3.67 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.05 1.06 0.00 0.00 112 I 8.02 3.84 2.01 0.00 0.00 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 1.70 1.13 1.20 0.00 0.00 113 H 8.46 4.04 0.00 3.34 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.15 3.54 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 115 L 7.88 3.82 0.00 1.10 0.40 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.95 4.44 0.00 3.51 3.55 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.89 4.19 0.00 3.95 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 0.00 118 R 7.73 4.16 0.00 1.40 1.53 0.00 2.74 0.00 0.00 2.64 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 119 H 8.10 5.02 0.00 3.20 3.20 0.00 5.62 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 0.00 120 P 0.00 4.32 0.00 2.18 2.30 0.00 3.64 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 2.05 1.92 0.00 121 G 8.08 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.07 4.97 0.00 2.76 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 0.00 123 F 8.02 5.01 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.82 3.86 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 0.00 0.00 0.00 125 A 8.40 3.99 1.26 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 0.00 126 D 8.04 4.20 0.00 2.87 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 0.00 127 A 7.76 3.93 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 0.00 128 Q 7.88 3.35 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 129 G 8.29 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 0.00 0.00 0.00 130 A 8.07 3.90 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 0.00 131 M 8.47 4.00 0.00 2.41 2.45 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.44 4.31 0.00 2.88 2.94 0.00 0.00 7.20 7.18 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 0.00 133 K 8.02 3.92 0.00 1.86 1.66 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.47 7.81 134 A 8.02 3.87 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 0.00 135 L 8.33 4.05 0.00 1.72 1.77 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.65 3.99 0.00 2.20 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 2.34 2.54 0.00 137 L 8.04 4.00 0.00 1.80 1.96 0.98 0.90 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 0.00 138 F 8.36 4.03 0.00 3.09 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 0.00 139 R 8.11 3.64 0.00 2.06 1.89 0.00 3.15 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 140 K 8.40 3.82 0.00 1.80 1.96 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.22 4.38 0.00 2.82 2.66 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 0.00 142 I 7.63 3.52 1.48 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.28 0.40 0.00 0.00 143 A 8.30 3.78 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 0.00 144 A 8.00 4.01 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 0.00 145 K 7.86 4.05 0.00 1.99 1.91 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.57 7.81 146 Y 8.57 4.07 0.00 3.09 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 0.00 147 K 8.59 3.98 0.00 2.05 2.01 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 8.00 3.95 0.00 2.04 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 0.00 2.35 2.38 0.00 149 L 7.68 4.41 0.00 1.95 1.94 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.16 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 0.00 151 Y 8.24 4.51 0.00 2.59 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 0.00 152 Q 8.22 4.13 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 153 G 8.16 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