NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1609 8.1627 120.2747 54.7022 33.1389 173.9876 2 K 4.0300 8.4811 128.4476 56.1110 32.6213 175.1892 3 G 3.9886 8.8349 116.0737 44.9741 0.0000 171.8671 4 D 4.5673 8.4803 119.7032 54.3720 41.9606 177.1398 5 T 3.8744 8.8415 122.7688 66.8096 68.5714 176.6969 6 K 3.8778 8.1691 120.9460 58.9670 32.2190 178.9240 7 V 3.8986 8.3283 118.9000 66.1718 31.4317 177.8354 8 I 3.7501 7.7892 119.4799 64.6580 36.9827 178.0652 9 N 4.2350 8.1399 116.9829 56.4989 38.2628 176.9436 10 Y 4.1566 7.9376 117.9784 61.2425 38.0188 178.8065 11 L 3.9182 8.5002 120.1376 57.9844 41.6358 179.4599 12 N 4.3777 8.4773 116.6862 55.9656 38.4300 177.4623 13 K 3.8671 8.1148 121.1408 59.4037 32.3285 178.9604 14 L 3.7971 7.9924 119.5794 57.4404 41.3706 178.8810 15 L 3.9393 7.6679 120.8469 58.3462 42.0268 179.2157 16 G 3.6601 8.1957 105.5007 47.9363 0.0000 175.1480 17 N 4.3336 8.1054 118.7409 56.2682 38.5900 177.2786 18 E 4.1061 8.2433 119.7574 59.5023 29.2107 179.4734 19 L 4.0346 8.2535 119.2286 57.6318 41.6152 179.7442 20 V 3.5691 7.7607 117.6654 66.0587 31.4642 177.9228 21 A 3.8672 8.0823 120.4328 55.0580 18.1713 179.4094 22 I 3.7618 8.2478 118.7447 64.9331 37.2742 178.4157 23 N 4.3926 7.8693 116.5801 56.2724 38.3012 177.4694 24 Q 3.8076 8.2224 120.9865 59.4339 29.1176 177.6393 25 Y 4.3519 8.0822 118.0207 61.1287 38.0009 178.6804 26 F 3.9000 8.4669 121.5150 61.0428 39.5097 176.8463 27 L 3.9588 8.1616 119.9884 58.6289 41.8446 178.4817 28 H 3.7601 8.3258 115.9582 58.7849 28.5658 177.2941 29 A 4.1715 8.2205 122.6224 55.6711 18.1580 179.8938 30 R 3.8154 7.6867 115.3613 58.7355 30.1414 179.2304 31 M 3.3964 7.7987 119.1358 58.0927 31.7648 178.4628 32 F 4.5741 7.4261 117.8876 60.5800 39.1225 177.5547 33 K 3.8829 8.3013 119.2862 59.6166 31.7785 177.9356 34 N 4.2279 8.0422 116.1265 56.7849 38.9118 176.2955 35 W 4.7649 7.9329 117.1612 57.6731 29.3989 177.2507 36 G 4.0040 8.3876 108.3310 45.7968 0.0000 174.0773 37 L 4.6777 8.1679 122.4667 52.5184 38.2556 176.7551 38 K 3.7970 7.9154 123.9184 59.9056 32.5772 177.5352 39 R 3.9007 8.2368 118.8040 59.3808 29.9665 178.4937 40 L 4.0983 7.7697 118.4426 57.3784 41.6036 178.5282 41 N 4.5350 8.1992 117.1159 56.9904 38.9040 176.6329 42 D 4.3069 8.0541 120.0995 57.3605 40.9309 179.0725 43 V 3.2643 7.5155 118.2334 65.9594 31.4447 178.0158 44 E 3.9162 8.2854 118.4104 59.2873 29.3150 178.6723 45 Y 3.8802 8.2001 119.8003 60.9069 38.8409 177.5424 46 H 3.9034 8.1518 119.0383 59.3288 29.8951 176.8546 47 E 3.4030 8.1635 120.5791 59.1766 29.0562 179.1918 48 S 4.1060 7.7542 113.0095 61.6248 62.4362 176.3882 49 I 3.5455 7.3596 122.2252 64.2787 36.7740 177.9815 50 D 4.1972 7.8832 119.7769 57.6148 40.6500 178.9664 51 E 4.1785 8.0926 118.8051 59.5003 29.3445 179.3025 52 M 4.0745 8.0292 118.9063 58.3496 32.0169 178.8567 53 K 3.9102 8.0895 118.5702 59.7357 32.1929 179.1075 54 H 4.1088 8.2478 116.1385 58.7965 28.5812 177.6071 55 A 4.2549 8.5248 122.9768 55.3204 18.1826 179.0386 56 D 4.2922 8.3406 116.5910 57.6832 41.2997 178.7237 57 R 3.8627 7.9160 118.4002 59.4021 30.0416 178.6149 58 Y 4.2901 7.7774 116.3596 61.2181 37.9446 178.6691 59 I 3.7602 8.1590 120.8581 64.7380 37.2747 178.4402 60 E 4.0630 8.4266 119.3077 59.1771 29.1655 179.5434 61 R 3.9981 8.1878 118.8234 59.5454 30.2571 178.3180 62 I 3.7588 8.3128 120.0396 64.6610 37.1843 178.3652 63 L 4.0146 8.0552 119.4192 57.7727 41.2566 179.2342 64 F 4.3362 8.1988 119.3819 61.3599 39.5739 176.4628 65 L 4.6041 8.0420 117.4406 54.0334 41.2370 177.2085 66 E 3.9356 7.9960 117.6692 57.3782 26.9882 174.5992 67 G 3.9327 8.1978 108.8547 44.1395 0.0000 173.6953 68 L 4.5502 8.0097 119.0559 51.9605 42.2282 175.1108 69 P 4.3763 0.0000 0.0000 62.6273 31.7614 176.0091 70 N 4.6927 9.5494 122.1798 52.4609 38.5971 174.1165 71 L 4.6187 8.2922 124.2372 54.5347 42.5984 177.5370 72 Q 4.0972 8.5292 121.7581 58.2277 29.3025 175.8820 73 D 4.6654 8.0845 117.1498 52.8202 41.8898 175.2698 74 L 4.5655 8.3034 125.5948 52.7750 43.9934 176.4573 75 G 3.8264 8.4334 115.5399 44.6713 0.0000 171.7522 76 K 4.1206 8.2997 120.6389 55.7983 32.5867 176.6118 77 L 4.2172 8.3055 126.4069 54.3503 42.3969 176.3976 78 N 4.8302 8.6479 120.6793 51.7214 39.5577 174.4365 79 I 3.7867 8.3485 125.3159 64.0388 37.6560 178.1456 80 G 4.4254 8.2187 102.6641 45.4057 0.0000 172.7286 81 E 4.7789 8.7643 116.9073 55.5764 31.9517 176.2180 82 D 4.9763 7.7129 117.7638 50.2738 43.9952 176.1044 83 V 4.0507 8.5122 119.3160 66.6355 31.3396 177.7032 84 E 3.8643 8.1934 118.0967 59.3328 29.4459 178.1719 85 E 3.9506 8.4309 119.4095 59.4670 29.6807 178.7020 86 M 4.2171 8.3477 117.1737 58.3425 31.3671 178.5954 87 L 4.1732 8.3407 120.2480 57.7002 41.7761 179.7066 88 R 3.9724 8.3324 118.2752 59.1695 29.9366 179.0968 89 S 4.1340 8.1393 113.0622 61.3745 62.3663 175.8860 90 D 4.2071 8.1728 121.6753 57.1541 40.5297 178.4592 91 L 3.9770 8.1310 120.4630 58.2511 42.1839 178.6148 92 A 3.9917 8.3751 121.0638 55.3315 18.2727 179.3822 93 L 3.9131 7.9375 118.5379 58.2922 42.0840 178.9913 94 E 4.0709 8.4097 118.6117 59.4660 29.4341 179.3632 95 L 4.0232 8.1724 119.0120 57.9998 41.7402 179.3574 96 D 4.4891 8.2979 118.9555 57.3582 40.7664 179.1554 97 G 3.6410 8.3334 106.0784 47.6299 0.0000 175.7119 98 A 4.0735 8.4400 123.4731 54.6319 18.4957 179.5217 99 K 3.8579 8.0551 118.2279 59.9320 32.2899 178.7530 100 N 4.4108 8.1281 116.5283 56.2526 38.3446 177.3478 101 L 4.0022 8.0570 120.3384 57.9469 41.8761 179.7966 102 R 3.8919 8.1028 117.8929 59.0895 29.9733 178.7112 103 E 3.8515 8.0620 118.3850 59.3077 29.6264 178.7081 104 A 2.8216 7.7371 120.6773 54.8596 18.2151 179.6805 105 I 3.7239 8.0293 118.7083 64.3828 36.9384 178.8951 106 G 3.5985 7.6793 105.2187 47.8878 0.0000 174.8970 107 Y 4.0933 7.9302 121.8042 60.3212 38.8025 177.4212 108 A 3.8163 8.1929 122.0854 55.3323 18.3666 179.0445 109 D 4.1160 7.7723 116.4202 57.5284 41.1134 178.7291 110 S 4.0858 7.4809 113.0030 60.4107 63.0894 175.7497 111 V 3.9460 6.8172 113.2914 60.5041 31.6351 175.4332 112 H 2.7706 7.0097 114.2059 56.7750 26.7333 176.2810 113 D 4.4986 7.4448 121.7209 53.6763 38.5068 175.8843 114 Y 4.3743 7.6276 121.8815 59.9865 38.4069 177.4481 115 V 3.7293 7.8571 120.1377 64.6383 31.7834 178.3748 116 S 4.1404 8.2039 115.3919 61.3430 62.6180 176.5117 117 R 3.8800 7.9662 121.2508 59.5683 29.9302 177.9324 118 D 4.3108 8.3292 117.7701 57.5387 41.2242 177.7164 119 M 3.9511 8.2067 118.7290 59.2007 32.2068 178.2071 120 M 4.1443 8.2940 118.6989 58.3327 32.0737 178.8977 121 I 3.7507 8.1699 120.5668 64.2113 37.3045 178.2245 122 E 3.9607 8.0848 119.2616 59.5357 29.2386 179.5151 123 I 3.5177 7.6790 119.7905 64.1820 37.0268 178.2752 124 L 3.9395 8.1083 121.3191 57.9878 41.9772 178.8909 125 R 3.8812 8.0589 118.7182 59.6100 30.0302 178.2115 126 D 4.3487 8.0070 118.4023 57.4686 40.8372 178.6782 127 E 4.0089 8.3306 119.2051 59.5290 29.4441 179.3334 128 E 4.3665 8.7295 119.0905 59.0695 29.4244 179.6725 129 G 3.6536 7.9569 105.6457 48.0551 0.0000 175.5076 130 H 4.5667 8.2823 118.7922 58.7485 28.6953 177.7737 131 I 3.8134 8.4149 121.9573 64.6097 37.0190 177.8271 132 D 4.3641 8.3722 118.6836 57.1152 41.0649 178.1200 133 W 4.1262 8.3577 128.7113 60.4473 30.7872 177.8075 134 L 3.7166 8.2112 118.8164 57.9246 41.1641 179.2527 135 E 3.9237 8.3925 118.5822 59.8077 29.3509 179.7334 136 T 3.7769 7.8562 115.4120 66.5953 68.5326 176.5082 137 E 3.7587 7.5825 120.2907 59.3826 29.2721 179.4071 138 L 3.7537 7.6520 118.7829 57.9479 41.6741 179.4478 139 D 4.3813 8.0277 118.7006 57.2324 40.6833 178.7606 140 L 4.0033 8.0096 119.6580 57.7487 41.6454 179.4982 141 I 3.3844 7.3058 119.7097 64.5363 36.7588 178.5374 142 Q 3.9779 7.3414 116.1169 58.6548 28.5920 178.5753 143 K 4.1346 7.9674 119.0766 59.0491 32.3455 178.5138 144 M 4.3759 8.1810 114.2506 53.9800 32.3687 177.2339 145 G 4.1212 7.5498 105.2076 45.9852 0.0000 174.5028 146 L 3.9828 8.3480 120.9798 57.9797 42.1713 179.2203 147 Q 3.9853 8.0691 117.5124 59.2213 28.8224 178.5764 148 N 4.3335 8.1337 116.7636 56.4148 38.4212 176.5581 149 Y 3.9895 7.9562 119.7544 60.7752 39.1846 177.9665 150 L 4.0579 8.4977 120.1826 57.8800 41.2252 179.2284 151 Q 3.9521 8.1565 119.2286 59.0714 28.7522 177.7808 152 A 4.1468 7.6691 119.2887 53.5004 18.7065 178.2565 153 Q 4.2612 7.7195 116.1380 55.7923 29.2701 177.3279 154 I 4.1854 7.2411 111.6852 61.6510 38.2357 176.2238 155 R 4.6593 7.5570 119.6771 53.7008 32.3577 175.4951 156 E 4.1109 8.4906 119.8254 56.0462 30.4468 175.9441 157 E 4.0947 8.4681 122.0924 55.4675 30.7170 176.5468 *158 G 3.7276 8.5435 113.4056 45.9050 0.0000 172.4002 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 8.16 4.16 0.00 1.38 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 2.52 2.42 0.00 2 K 8.48 4.03 0.00 1.83 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 G 8.83 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 4 D 8.48 4.57 0.00 2.77 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 5 T 8.84 3.87 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 1.18 0.00 0.00 6 K 8.17 3.88 0.00 1.69 1.83 0.00 1.37 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.00 7.81 7 V 8.33 3.90 2.36 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 1.14 0.00 0.00 1.21 0.00 0.00 8 I 7.79 3.75 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 1.55 0.66 0.92 0.00 0.00 9 N 8.14 4.24 0.00 2.66 2.66 0.00 0.00 7.07 7.24 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 10 Y 7.94 4.16 0.00 3.29 2.93 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 0.00 0.00 0.00 11 L 8.50 3.92 0.00 2.05 1.79 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.48 4.38 0.00 2.89 2.81 0.00 0.00 6.66 9.02 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 13 K 8.11 3.87 0.00 1.85 1.97 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 7.99 3.80 0.00 0.95 1.12 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.67 3.94 0.00 1.66 1.82 1.05 1.17 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 16 G 8.20 3.66 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 0.00 0.00 0.00 17 N 8.11 4.33 0.00 2.96 2.91 0.00 0.00 7.05 7.69 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 18 E 8.24 4.11 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 2.76 2.91 0.00 19 L 8.25 4.03 0.00 1.81 1.72 0.92 1.11 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 20 V 7.76 3.57 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 1.00 0.00 0.00 1.01 0.00 0.00 21 A 8.08 3.87 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 22 I 8.25 3.76 2.05 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 1.61 0.90 0.91 0.00 0.00 23 N 7.87 4.39 0.00 2.91 2.86 0.00 0.00 6.76 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 24 Q 8.22 3.81 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.08 4.35 0.00 3.22 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 26 F 8.47 3.90 0.00 3.42 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 27 L 8.16 3.96 0.00 1.98 1.60 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.33 3.76 0.00 3.49 3.20 0.00 5.71 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 29 A 8.22 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.69 3.82 0.00 1.78 1.89 0.00 3.27 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.78 0.00 31 M 7.80 3.40 0.00 0.80 1.50 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.43 4.57 0.00 3.30 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 33 K 8.30 3.88 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 8.04 4.23 0.00 2.65 2.68 0.00 0.00 7.36 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.93 4.76 0.00 3.74 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 36 G 8.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.17 4.68 0.00 2.19 1.67 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.92 3.80 0.00 2.00 1.82 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.57 7.81 39 R 8.24 3.90 0.00 2.10 2.00 0.00 3.52 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.77 4.10 0.00 1.67 1.03 1.07 0.20 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 41 N 8.20 4.54 0.00 3.11 3.02 0.00 0.00 7.18 8.50 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 42 D 8.05 4.31 0.00 2.85 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 43 V 7.52 3.26 1.64 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 -0.72 0.00 0.00 0.81 0.00 0.00 44 E 8.29 3.92 0.00 2.34 2.39 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 2.64 3.15 0.00 45 Y 8.20 3.88 0.00 2.94 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 46 H 8.15 3.90 0.00 3.32 3.37 0.00 5.85 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 47 E 8.16 3.40 0.00 1.16 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 1.88 1.79 0.00 48 S 7.75 4.11 0.00 4.05 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 49 I 7.36 3.55 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.42 0.78 0.00 0.00 50 D 7.88 4.20 0.00 2.62 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 51 E 8.09 4.18 0.00 2.19 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 0.00 2.71 2.82 0.00 52 M 8.03 4.07 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 53 K 8.09 3.91 0.00 1.88 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.65 7.81 54 H 8.25 4.11 0.00 3.55 3.46 0.00 5.65 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 55 A 8.52 4.25 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 56 D 8.34 4.29 0.00 2.92 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 57 R 7.92 3.86 0.00 1.82 1.77 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 58 Y 7.78 4.29 0.00 3.25 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 59 I 8.16 3.76 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 0.95 0.00 0.00 60 E 8.43 4.06 0.00 2.03 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 2.35 2.61 0.00 61 R 8.19 4.00 0.00 2.12 2.20 0.00 3.33 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 1.74 1.85 0.00 62 I 8.31 3.76 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.64 0.99 0.00 0.00 63 L 8.06 4.01 0.00 2.10 1.79 0.99 0.95 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 64 F 8.20 4.34 0.00 2.97 3.32 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 65 L 8.04 4.60 0.00 1.88 1.63 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.94 0.00 2.08 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 0.00 2.15 2.25 0.00 67 G 8.20 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.55 0.00 1.59 1.62 0.92 0.98 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.55 4.69 0.00 2.60 2.72 0.00 0.00 7.07 8.08 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 71 L 8.29 4.62 0.00 1.63 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.53 4.10 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.08 4.67 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.30 4.57 0.00 1.52 1.51 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.43 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 76 K 8.30 4.12 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.31 4.22 0.00 1.64 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.65 4.83 0.00 2.62 2.69 0.00 0.00 7.21 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 79 I 8.35 3.79 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.93 0.00 0.00 80 G 8.22 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.76 4.78 0.00 1.98 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 2.26 2.30 0.00 82 D 7.71 4.98 0.00 2.78 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 83 V 8.51 4.05 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 1.29 0.00 0.00 1.27 0.00 0.00 84 E 8.19 3.86 0.00 2.01 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 2.34 2.29 0.00 85 E 8.43 3.95 0.00 2.38 2.15 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 2.34 2.34 0.00 86 M 8.35 4.22 0.00 2.19 1.82 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.04 0.00 87 L 8.34 4.17 0.00 2.07 1.77 1.27 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.33 3.97 0.00 2.00 1.99 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 89 S 8.14 4.13 0.00 4.03 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.17 4.21 0.00 3.12 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 91 L 8.13 3.98 0.00 1.91 1.89 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.38 3.99 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 93 L 7.94 3.91 0.00 1.88 1.82 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.41 4.07 0.00 2.30 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 2.63 2.73 0.00 95 L 8.17 4.02 0.00 2.05 1.74 0.96 0.99 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 96 D 8.30 4.49 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.33 3.64 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 0.00 0.00 0.00 98 A 8.44 4.07 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 99 K 8.06 3.86 0.00 2.05 2.04 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.13 4.41 0.00 3.02 2.90 0.00 0.00 7.10 6.75 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 0.00 101 L 8.06 4.00 0.00 2.00 1.74 0.98 0.83 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 0.00 102 R 8.10 3.89 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 103 E 8.06 3.85 0.00 2.09 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 2.37 2.39 0.00 104 A 7.74 2.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.03 3.72 1.85 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 1.46 1.40 0.92 0.00 0.00 106 G 7.68 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.93 4.09 0.00 3.13 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 0.00 108 A 8.19 3.82 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 0.00 109 D 7.77 4.12 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.48 4.09 0.00 3.98 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 0.00 111 V 6.82 3.95 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 0.48 0.00 0.00 0.66 0.00 0.00 112 H 7.01 2.77 0.00 3.15 3.24 0.00 5.84 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 0.00 113 D 7.44 4.50 0.00 2.60 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 0.00 0.00 0.00 0.00 114 Y 7.63 4.37 0.00 3.10 2.94 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 0.00 115 V 7.86 3.73 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 0.89 0.00 0.00 0.96 0.00 0.00 116 S 8.20 4.14 0.00 3.98 4.05 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 0.00 117 R 7.97 3.88 0.00 1.91 2.19 0.00 3.34 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 1.70 1.68 0.00 118 D 8.33 4.31 0.00 2.98 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 0.00 119 M 8.21 3.95 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 120 M 8.29 4.14 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.81 0.00 121 I 8.17 3.75 1.88 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 1.53 1.03 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.20 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 2.31 2.47 0.00 123 I 7.68 3.52 1.90 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.52 0.74 0.00 0.00 124 L 8.11 3.94 0.00 1.87 1.88 0.95 0.72 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 0.00 125 R 8.06 3.88 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 8.01 4.35 0.00 3.02 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 0.00 127 E 8.33 4.01 0.00 2.14 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 2.52 2.56 0.00 128 E 8.73 4.37 0.00 2.02 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 2.37 2.53 0.00 129 G 7.96 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 0.00 130 H 8.28 4.57 0.00 3.55 3.63 0.00 5.66 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 0.00 131 I 8.41 3.81 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.97 0.00 0.00 132 D 8.37 4.36 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.36 4.13 0.00 3.56 3.50 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 0.00 134 L 8.21 3.72 0.00 2.02 1.74 1.34 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.39 3.92 0.00 2.13 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 2.56 0.00 136 T 7.86 3.78 4.22 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 1.17 0.00 0.00 137 E 7.58 3.76 0.00 1.54 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 1.47 1.47 0.00 138 L 7.65 3.75 0.00 1.72 1.61 0.88 0.85 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 0.00 139 D 8.03 4.38 0.00 2.79 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 0.00 140 L 8.01 4.00 0.00 1.87 1.85 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.31 3.38 1.70 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 -0.15 0.09 0.71 0.00 0.00 142 Q 7.34 3.98 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 143 K 7.97 4.13 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 144 M 8.18 4.38 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.88 0.00 145 G 7.55 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 0.00 0.00 0.00 146 L 8.35 3.98 0.00 1.75 1.67 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.07 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.13 4.33 0.00 2.98 2.89 0.00 0.00 6.67 7.48 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 0.00 149 Y 7.96 3.99 0.00 3.02 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 0.00 150 L 8.50 4.06 0.00 2.02 1.70 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.16 3.95 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.67 4.15 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 0.00 153 Q 7.72 4.26 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 154 I 7.24 4.19 1.87 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 1.50 1.43 0.97 0.00 0.00 155 R 7.56 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 156 E 8.49 4.11 0.00 2.08 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 0.00 2.26 2.27 0.00 157 E 8.47 4.09 0.00 1.95 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 2.26 2.30 0.00 *158 G 8.54 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.