NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4538 8.3044 118.1945 55.4388 32.5912 174.1958 1 V 4.2185 7.7969 117.6471 61.2528 34.3016 172.1377 2 L 4.3257 8.2701 127.3907 53.9077 43.6302 176.7840 3 S 4.5448 8.8399 117.4822 57.6041 65.3492 175.1197 4 E 4.2575 8.7932 122.1877 59.4848 29.4638 178.9056 5 G 3.6299 8.0959 105.3148 47.7962 0.0000 175.3864 6 E 3.9127 8.0730 120.5951 59.0040 29.3750 179.4637 7 W 4.2757 8.1631 119.0050 59.9283 29.1139 178.5769 8 Q 4.1304 8.6527 118.3537 58.9930 27.9847 178.9272 9 L 4.0946 7.9726 119.7940 57.5955 41.6382 179.6941 10 V 3.7688 7.8923 118.2403 66.2473 31.6196 178.2084 11 L 4.2911 8.5343 118.6808 57.5408 41.1724 179.0283 12 H 4.2384 8.4785 119.1290 59.2214 29.9116 177.6345 13 V 3.5220 7.8022 121.1194 64.2923 31.4367 178.1532 14 W 3.9115 8.6035 128.8558 60.0758 30.2247 177.7744 15 A 4.0005 7.8787 120.2651 54.9776 18.0390 179.4316 16 K 3.9686 7.3931 116.7714 59.2855 32.0744 179.6274 17 V 2.8692 7.1379 118.4613 65.7656 31.0355 177.6467 18 E 3.8814 7.6087 115.9965 58.0686 29.3126 178.4798 19 A 4.2150 7.5237 120.5344 53.6322 19.9102 177.5466 20 D 4.6595 8.0169 116.9017 51.9474 42.3038 175.5355 21 V 3.4584 7.9111 123.1252 65.6751 32.1313 176.8008 22 A 4.0768 8.0134 120.1940 55.0529 18.2844 179.7051 23 G 3.7367 8.2240 105.6517 47.8068 0.0000 175.7753 24 H 4.2152 8.3423 118.9199 58.3020 28.6598 178.1359 25 G 3.6462 8.3590 107.8639 47.8658 0.0000 175.7940 26 Q 3.9915 8.1784 120.5393 58.8680 28.7958 178.5801 27 D 4.3082 8.0857 119.8049 57.4090 40.7404 179.0802 28 I 3.6264 7.9651 120.4656 64.6392 37.0479 178.1945 29 Y 3.5056 7.8743 117.5493 60.7422 37.5193 178.4348 30 I 3.7372 8.0080 121.2194 64.1682 37.1207 178.4041 31 R 3.7800 7.9394 119.5838 59.2225 29.8881 178.1492 32 L 3.8937 7.8211 120.1846 58.4802 41.5213 179.1353 33 F 4.6966 8.0974 117.6308 60.4678 38.5768 177.9610 34 K 4.0997 8.2083 117.8441 59.4486 31.9683 179.2856 35 S 4.2982 8.0662 114.6815 60.2671 64.3412 174.4645 36 H 4.7843 8.3637 118.6823 51.9836 29.2482 171.8802 37 P 4.5715 0.0000 0.0000 64.5720 31.3522 177.5794 38 E 4.1142 8.2867 116.3325 59.5016 29.5698 179.1287 39 T 3.7896 8.0756 110.7483 64.3674 68.7595 176.2419 40 L 3.7557 7.9800 122.8281 57.7514 41.7470 178.5736 41 E 4.1020 7.8434 117.8145 58.6862 29.4248 178.5133 42 K 4.3526 7.9111 116.5319 56.5077 32.9460 177.0370 43 F 4.2914 7.7859 119.4227 55.3356 38.2251 175.9482 44 D 4.3560 8.3348 126.2540 57.1872 40.9909 178.7696 45 R 4.1456 7.8012 117.2776 58.7202 30.3828 177.1999 46 F 5.0993 7.0255 111.7371 56.2314 38.4534 176.2915 47 K 4.1031 8.0806 122.1667 59.9963 32.4140 177.3432 48 H 4.4791 8.1472 114.1140 56.7309 29.1695 175.6750 49 L 4.0809 7.4613 121.4192 55.1987 41.7581 176.9699 50 K 4.4135 9.4699 122.4777 56.8069 33.9901 176.7498 51 T 4.7506 7.4668 107.8117 58.8701 73.1799 174.2298 52 E 3.9379 8.6530 121.0441 59.3324 29.4881 178.5583 53 A 3.9650 7.9901 120.4287 55.2622 18.2205 179.3309 54 E 3.9303 7.9254 116.0047 59.7212 29.7561 179.1377 55 M 4.1275 8.1100 118.8475 58.3248 31.8014 178.9921 56 K 4.0163 8.2041 117.5882 58.6857 32.2963 178.3823 57 A 4.4514 7.4719 118.8272 51.4433 19.3628 177.0350 58 S 4.1682 7.3060 113.7052 57.3888 62.7510 174.4677 59 E 3.9464 8.7933 129.1741 59.4101 29.4989 178.2930 60 D 4.3628 7.9864 118.6666 57.0833 40.9161 178.3001 61 L 3.0009 7.5130 120.9180 57.5678 42.0588 178.8610 62 K 3.8400 7.7288 119.3517 59.5213 32.1345 178.9007 63 K 4.0098 8.2437 118.8934 59.4384 31.9553 179.1458 64 Q 4.1646 8.1654 120.0048 59.0384 28.9502 178.4476 65 G 3.8554 8.2664 106.9433 47.9170 0.0000 175.8562 66 V 3.6612 7.8087 120.6650 65.7999 31.5824 178.3470 67 R 4.0174 8.2049 117.8699 59.1251 29.7967 179.2531 68 V 3.7003 8.0870 117.9801 66.2747 31.6193 178.2602 69 L 4.2303 8.2705 118.6581 57.9010 41.3973 179.7672 70 T 3.9681 8.2450 115.8140 66.6134 68.5361 176.6413 71 A 4.0213 8.1387 122.7583 55.1046 18.3559 179.4905 72 L 3.7865 8.3999 119.3485 57.8948 42.0227 179.4096 73 G 3.3390 8.4583 105.9216 47.5774 0.0000 175.6061 74 A 3.9777 7.7568 122.2548 54.7871 18.7517 179.6164 75 I 3.7758 7.5474 118.0926 64.6188 37.2615 178.7177 76 L 3.9933 7.9399 120.1463 57.5797 41.1529 179.4787 77 K 4.0294 7.8549 117.0277 58.2246 32.3847 178.6619 78 K 3.9543 7.7750 118.1538 56.0052 32.8132 176.4257 79 K 2.0000 8.0734 118.4720 56.3815 29.7059 175.7236 80 G 3.9140 7.7438 105.3594 45.6850 0.0000 173.3254 81 H 4.6402 7.3235 118.9482 55.2390 27.5578 174.7664 82 H 5.5470 7.1536 110.3092 54.3601 29.7131 176.7575 83 E 3.9548 8.5180 122.4406 60.3763 29.1896 178.0479 84 A 4.0281 7.9261 118.9282 55.2820 18.5113 179.0208 85 E 4.1012 8.1556 116.6374 59.4002 29.5802 179.2171 86 L 4.1791 8.1979 118.8792 56.9603 41.6868 179.4755 87 K 3.9775 7.8262 119.3386 59.0560 32.0131 177.5186 88 P 4.3217 0.0000 0.0000 65.6389 31.3316 178.1949 89 L 4.0345 7.5484 117.1090 57.8182 41.9285 178.7588 90 A 4.1979 8.5037 121.2874 55.1926 18.3857 179.3889 91 Q 3.9042 8.3075 118.3370 59.4226 29.1597 178.6776 92 S 4.0567 8.3381 115.4454 61.8388 62.9801 176.1473 93 H 4.1669 8.7481 119.5286 58.0800 28.2136 177.5110 94 A 2.7862 8.0327 122.2696 54.1569 18.5520 178.8815 95 T 3.9762 7.4885 112.4575 64.4625 69.3748 175.9738 96 K 4.1113 7.4317 119.8892 58.6499 33.0251 177.2043 97 H 4.2411 7.8221 114.6228 56.4029 29.3903 175.6740 98 K 3.1516 7.4599 117.0185 56.9880 28.6119 175.1800 99 I 4.2908 7.9986 118.7633 58.8111 38.1731 175.0190 100 P 4.5492 0.0000 0.0000 62.3195 32.1413 177.4263 101 I 3.6577 8.4068 121.0049 64.5667 36.9144 178.6773 102 K 3.8378 7.9188 119.8321 59.7014 31.9021 178.1917 103 Y 4.2438 7.9475 116.9292 60.6622 37.8154 178.0105 104 L 4.2076 7.9019 119.8464 57.6463 41.7603 179.1062 105 E 4.0146 8.1535 118.7228 59.4448 29.4693 179.3138 106 F 4.5178 8.0008 117.8840 60.7553 38.8703 177.5450 107 I 3.8469 8.1601 118.0915 63.6850 37.7534 178.0785 108 S 4.1589 8.1191 116.3843 61.6140 62.6609 176.2059 109 E 4.0186 8.3847 121.7744 59.2130 29.3958 178.7299 110 A 4.0075 7.9984 120.8072 55.0179 18.3293 179.6931 111 I 3.6486 8.0271 118.5379 64.6786 37.2353 178.6686 112 I 3.7834 7.9343 120.6151 64.6488 36.8506 178.0106 113 H 4.1469 8.4718 119.1261 59.2527 29.6548 177.5956 114 V 3.5285 7.8878 120.0458 65.9882 31.3481 178.0405 115 L 3.8088 7.9227 118.9293 57.8185 41.0152 179.0172 116 H 4.3555 7.9158 117.4857 59.4160 29.9132 177.2866 117 S 4.1785 8.0249 116.2147 61.4232 62.7498 176.3288 118 R 4.0998 8.0711 119.6765 57.3596 31.3647 176.4149 119 H 5.0189 8.1748 115.5543 53.8250 29.5163 172.9971 120 P 4.3167 0.0000 0.0000 65.8640 31.6489 179.3118 121 G 3.6272 8.1342 106.6142 47.5076 0.0000 173.7154 122 N 4.9795 8.1046 114.9845 52.9606 39.4102 174.9145 123 F 4.9094 7.8157 119.3479 56.3580 39.5097 174.1426 124 G 3.9171 7.6400 109.1825 43.8148 0.0000 172.0295 125 A 3.8775 8.3812 120.6340 55.3766 18.3020 179.6536 126 D 4.1970 7.9541 116.5644 57.4577 40.8905 178.7563 127 A 3.9236 7.7408 120.7930 54.9894 18.4051 179.3151 128 Q 3.0875 7.7609 118.4406 58.8394 29.0671 178.5131 129 G 3.5900 7.9755 106.5575 47.8713 0.0000 175.4923 130 A 3.8604 7.8826 123.2815 54.9044 18.3588 179.4152 131 M 3.9678 8.2616 117.0417 58.8058 32.2834 177.9269 132 N 4.3167 8.6312 117.6910 56.5668 39.0748 176.7643 133 K 3.8607 8.1186 120.8752 59.3343 32.2798 178.7096 134 A 3.8544 8.0535 121.2870 55.1195 18.2113 179.6464 135 L 4.1428 8.1921 117.5574 57.7931 41.6232 179.5237 136 E 3.9824 8.6079 119.2123 59.0410 29.2910 179.0802 137 L 3.9405 8.1318 120.5215 58.0710 42.1732 178.6251 138 F 4.1246 8.3124 120.5324 61.6497 39.2196 177.3745 139 R 3.4488 8.2068 117.6162 58.8299 29.8742 179.0224 140 K 3.8373 8.3325 119.9438 59.5481 32.2034 178.7332 141 D 4.3186 8.1985 119.3341 57.3352 40.6641 178.8429 142 I 3.4377 7.5510 120.2874 64.0798 36.9977 178.3337 143 A 3.6719 7.9278 121.6655 54.8649 18.1981 179.6087 144 A 3.9311 7.8216 119.2412 55.2465 18.4795 180.0801 145 K 4.0131 8.0078 117.0717 59.5853 32.0151 179.0055 146 Y 4.4635 8.3733 117.5924 61.3198 37.8478 178.8508 147 K 3.9559 8.1382 120.1704 59.6805 32.0686 178.7049 148 E 4.0555 7.9492 117.3928 59.1179 29.4900 178.5918 149 L 4.3318 7.9202 116.7941 55.2823 41.9907 177.7504 150 G 4.0333 7.8873 107.1191 45.3986 0.0000 172.8846 151 Y 4.3930 8.1470 118.6084 59.0581 40.6788 176.3420 152 Q 3.2121 7.7911 117.6264 56.9067 27.7147 173.7253 153 G 2.8708 6.2874 111.3683 45.3930 0.0000 172.9176 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 0 M 8.30 4.45 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.80 4.22 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 0.81 0.00 0.00 0.95 0.00 0.00 2 L 8.27 4.33 0.00 0.90 0.73 0.60 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.84 4.54 0.00 4.04 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 8.79 4.26 0.00 2.19 2.05 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 2.43 2.52 0.00 5 G 8.10 3.63 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 0.00 0.00 0.00 6 E 8.07 3.91 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 7 W 8.16 4.28 0.00 3.59 3.22 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 8 Q 8.65 4.13 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 9 L 7.97 4.09 0.00 1.88 1.74 0.88 0.60 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 7.89 3.77 2.44 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 1.18 0.00 0.00 0.91 0.00 0.00 11 L 8.53 4.29 0.00 1.85 1.81 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.48 4.24 0.00 3.41 3.54 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.52 2.45 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 1.04 0.00 0.00 0.86 0.00 0.00 14 W 8.60 3.91 0.00 3.64 3.18 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 15 A 7.88 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.39 3.97 0.00 1.60 1.73 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 17 V 7.14 2.87 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 0.00 0.00 0.05 0.00 0.00 0.37 0.00 0.00 18 E 7.61 3.88 0.00 2.00 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 2.28 2.13 0.00 19 A 7.52 4.22 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 20 D 8.02 4.66 0.00 2.69 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 21 V 7.91 3.46 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 1.08 0.00 0.00 0.85 0.00 0.00 22 A 8.01 4.08 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 8.22 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 24 H 8.34 4.22 0.00 3.12 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 8.36 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.99 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 27 D 8.09 4.31 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.63 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.64 0.00 0.00 29 Y 7.87 3.51 0.00 2.97 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.01 3.74 1.91 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 1.45 0.71 0.92 0.00 0.00 31 R 7.94 3.78 0.00 1.94 2.12 0.00 3.01 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 32 L 7.82 3.89 0.00 1.64 1.43 1.04 1.06 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 8.10 4.70 0.00 3.11 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 34 K 8.21 4.10 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.64 7.81 35 S 8.07 4.30 0.00 3.65 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 36 H 8.36 4.78 0.00 3.02 2.85 0.00 5.63 0.00 0.00 0.00 0.00 6.87 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 4.57 0.00 2.17 2.13 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 38 E 8.29 4.11 0.00 2.30 2.31 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 2.36 2.57 0.00 39 T 8.08 3.79 4.49 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 0.82 0.00 0.00 40 L 7.98 3.76 0.00 1.39 1.71 0.25 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.84 4.10 0.00 2.21 2.05 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 2.37 2.39 0.00 42 K 7.91 4.35 0.00 1.57 1.52 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.85 7.81 43 F 7.79 4.29 0.00 2.74 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 0.00 0.00 0.00 0.00 44 D 8.33 4.36 0.00 2.60 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 45 R 7.80 4.15 0.00 1.65 2.13 0.00 3.21 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 46 F 7.03 5.10 0.00 2.96 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 47 K 8.08 4.10 0.00 1.88 2.17 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.39 7.81 48 H 8.15 4.48 0.00 3.30 3.46 0.00 5.54 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 49 L 7.46 4.08 0.00 1.60 1.59 0.81 0.77 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 50 K 9.47 4.41 0.00 1.66 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 51 T 7.47 4.75 4.24 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 1.21 0.00 0.00 52 E 8.65 3.94 0.00 2.06 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 2.37 2.38 0.00 53 A 7.99 3.97 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 54 E 7.93 3.93 0.00 2.11 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 2.33 2.33 0.00 55 M 8.11 4.13 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 56 K 8.20 4.02 0.00 1.84 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 57 A 7.47 4.45 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 58 S 7.31 4.17 0.00 3.81 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 59 E 8.79 3.95 0.00 2.10 1.92 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 2.37 2.45 0.00 60 D 7.99 4.36 0.00 2.83 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.51 3.00 0.00 0.76 1.40 0.82 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.84 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.24 4.01 0.00 2.01 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 64 Q 8.17 4.16 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 65 G 8.27 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 66 V 7.81 3.66 2.25 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 1.06 0.00 0.00 0.99 0.00 0.00 67 R 8.20 4.02 0.00 2.17 2.07 0.00 3.29 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 68 V 8.09 3.70 2.35 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 1.22 0.00 0.00 1.35 0.00 0.00 69 L 8.27 4.23 0.00 1.82 1.87 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.24 3.97 4.34 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 1.27 0.00 0.00 71 A 8.14 4.02 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 72 L 8.40 3.79 0.00 1.61 1.68 0.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.34 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 0.00 74 A 7.76 3.98 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 75 I 7.55 3.78 1.84 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 1.53 1.14 0.89 0.00 0.00 76 L 7.94 3.99 0.00 1.19 1.56 -0.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.85 4.03 0.00 1.71 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.78 3.95 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.75 7.81 79 K 8.07 2.00 0.00 1.28 0.74 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.31 0.69 7.81 80 G 7.74 3.91 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 0.00 0.00 0.00 81 H 7.32 4.64 0.00 3.21 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.15 5.55 0.00 3.29 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 3.95 0.00 2.13 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 2.39 2.47 0.00 84 A 7.93 4.03 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 85 E 8.16 4.10 0.00 2.25 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 0.00 2.40 2.47 0.00 86 L 8.20 4.18 0.00 1.93 1.72 1.02 0.60 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 87 K 7.83 3.98 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.61 7.81 88 P 0.00 4.32 0.00 2.31 2.34 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 89 L 7.55 4.03 0.00 1.93 1.91 0.98 1.10 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 90 A 8.50 4.20 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 91 Q 8.31 3.90 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.34 4.06 0.00 3.99 4.12 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 93 H 8.75 4.17 0.00 3.63 3.69 0.00 5.80 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 8.03 2.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.49 3.98 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 1.11 0.00 0.00 96 K 7.43 4.11 0.00 1.54 1.65 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.34 7.81 97 H 7.82 4.24 0.00 3.04 3.15 0.00 5.86 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 98 K 7.46 3.15 0.00 1.76 1.69 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.07 1.23 7.81 99 I 8.00 4.29 2.14 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 1.43 1.00 1.18 0.00 0.00 100 P 0.00 4.55 0.00 1.93 1.99 0.00 3.18 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.49 0.00 101 I 8.41 3.66 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.81 0.00 0.00 102 K 7.92 3.84 0.00 1.69 1.59 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.17 0.63 7.81 103 Y 7.95 4.24 0.00 3.24 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 0.00 104 L 7.90 4.21 0.00 1.82 1.80 0.77 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.15 4.01 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 2.32 2.43 0.00 106 F 8.00 4.52 0.00 3.17 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 0.00 107 I 8.16 3.85 1.93 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 1.03 0.00 0.00 108 S 8.12 4.16 0.00 4.21 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 0.00 109 E 8.38 4.02 0.00 2.17 2.25 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 2.36 2.39 0.00 110 A 8.00 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 0.00 111 I 8.03 3.65 2.08 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 1.55 0.68 1.02 0.00 0.00 112 I 7.93 3.78 2.12 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 0.97 1.12 0.00 0.00 113 H 8.47 4.15 0.00 3.28 3.45 0.00 5.78 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 0.00 114 V 7.89 3.53 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 0.98 0.00 0.00 0.98 0.00 0.00 115 L 7.92 3.81 0.00 0.39 0.63 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.92 4.36 0.00 3.48 3.61 0.00 5.95 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 8.02 4.18 0.00 3.89 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 8.07 4.10 0.00 1.62 1.60 0.00 3.10 0.00 0.00 2.96 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 119 H 8.17 5.02 0.00 3.22 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.76 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 2.20 2.25 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.13 3.63 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 0.00 0.00 0.00 122 N 8.10 4.98 0.00 2.83 2.94 0.00 0.00 6.67 7.23 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 0.00 123 F 7.82 4.91 0.00 2.92 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 0.00 124 G 7.64 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 0.00 125 A 8.38 3.88 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 0.00 126 D 7.95 4.20 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.74 3.92 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 0.00 128 Q 7.76 3.09 0.00 1.25 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 129 G 7.98 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.88 3.86 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 0.00 131 M 8.26 3.97 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 132 N 8.63 4.32 0.00 2.84 2.92 0.00 0.00 6.87 6.59 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 0.00 133 K 8.12 3.86 0.00 1.93 1.73 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 8.05 3.85 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 0.00 135 L 8.19 4.14 0.00 1.76 1.82 0.99 0.71 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 0.00 136 E 8.61 3.98 0.00 2.14 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 2.34 2.59 0.00 137 L 8.13 3.94 0.00 1.86 1.96 1.08 0.97 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 0.00 138 F 8.31 4.12 0.00 3.12 3.17 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 0.00 139 R 8.21 3.45 0.00 1.83 1.83 0.00 3.16 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 140 K 8.33 3.84 0.00 1.75 2.00 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.20 4.32 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.55 3.44 1.27 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.16 0.07 0.00 0.00 143 A 7.93 3.67 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 0.00 144 A 7.82 3.93 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 0.00 145 K 8.01 4.01 0.00 1.96 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.62 7.81 146 Y 8.37 4.46 0.00 3.26 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 0.00 147 K 8.14 3.96 0.00 1.87 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.95 4.06 0.00 2.17 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 2.36 2.60 0.00 149 L 7.92 4.33 0.00 1.83 1.73 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.89 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 0.00 151 Y 8.15 4.39 0.00 2.59 2.83 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 0.00 152 Q 7.79 3.21 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 153 G 6.29 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 0.00 0.00 0.00