NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1433 8.1627 120.2750 54.7579 33.2306 173.9004 2 K 3.9423 8.4698 128.1073 56.0248 32.6130 175.1304 3 G 3.9806 8.6937 116.1513 45.0046 0.0000 171.4617 4 D 4.5804 8.4786 119.5600 54.3073 41.8715 177.0408 5 T 3.8666 8.8991 122.9275 66.8905 68.5153 176.5968 6 K 3.8011 8.1606 120.8904 59.1552 32.2480 178.8193 7 V 3.8955 8.6642 119.0611 66.2033 31.3733 178.0848 8 I 3.7865 7.7905 119.3128 64.4369 36.8439 178.0761 9 N 4.2293 8.3275 117.4487 56.4855 38.3491 177.0443 10 Y 4.0720 8.0408 118.0017 61.1255 38.0378 178.4396 11 L 3.8267 8.4433 120.2376 58.1285 41.6711 179.5460 12 N 4.3868 8.4534 116.4935 55.9508 38.4098 177.4994 13 K 3.8763 8.1831 121.3990 59.3893 32.3474 178.8765 14 L 3.8407 8.1773 119.6437 57.6315 41.3837 179.0405 15 L 4.0871 7.8834 120.7149 58.3007 41.9842 179.2730 16 G 3.6165 8.2371 105.7232 47.8697 0.0000 175.3813 17 N 4.3630 8.0653 118.8033 56.2795 38.3874 177.4554 18 E 4.1553 8.4100 120.2151 59.1950 29.3884 179.3141 19 L 4.2129 8.4035 120.4254 58.3337 40.4964 179.7785 20 V 3.6650 7.8357 120.2030 64.6330 31.3976 178.1265 21 A 3.8108 8.0845 121.5894 54.7773 18.1974 179.3222 22 I 3.7394 8.3099 118.6198 65.0078 37.2567 178.4062 23 N 4.3947 7.8068 115.4751 56.3432 38.3615 177.4348 24 Q 3.8356 8.3600 121.3243 59.3180 29.0772 177.8091 25 Y 4.3749 8.4323 118.2067 61.0013 37.9081 178.3545 26 F 3.8356 8.4429 121.6314 61.0974 39.5072 176.8663 27 L 3.9634 8.1883 119.9734 58.5078 41.8185 178.5031 28 H 3.8024 8.2478 115.8505 58.7411 28.6321 177.2006 29 A 4.1637 8.2789 122.8264 55.7733 18.1128 179.9496 30 R 3.8436 7.7899 115.3728 58.6243 30.0553 179.2863 31 M 3.4204 7.8084 119.3177 58.1671 31.8149 178.3000 32 F 4.5853 7.4822 118.1887 60.7964 39.1318 177.7968 33 K 3.9359 8.1566 118.9710 59.4667 31.7977 178.2009 34 N 4.2662 7.9890 116.3077 56.6236 38.9957 176.4176 35 W 4.7487 7.9653 117.5103 57.6606 29.5548 177.2397 36 G 3.9915 8.4485 108.3151 45.9329 0.0000 174.1404 37 L 4.6427 8.1867 121.9163 52.8969 38.2938 177.2071 38 K 3.8152 7.9455 122.7012 60.0232 32.5024 177.3363 39 R 3.9544 8.1624 118.5857 59.1939 30.0627 178.4368 40 L 4.1062 7.7589 118.4035 57.3680 41.5605 178.8054 41 N 4.5315 8.1626 116.9832 56.7728 38.9565 176.5383 42 D 4.3095 8.1492 120.2916 57.4468 40.9850 179.1658 43 V 3.3479 7.6864 118.4218 66.1042 31.4687 178.0122 44 E 3.7891 8.2579 118.3237 59.1615 29.2441 178.6766 45 Y 3.8796 8.1177 119.8013 61.1545 38.9933 178.0988 46 H 4.1304 8.1638 116.7022 58.5702 28.6929 177.6391 47 E 3.6376 7.7850 120.7368 58.7133 29.1481 178.8501 48 S 4.1606 7.8797 113.4342 61.6477 62.4463 176.3456 49 I 3.5712 7.3585 122.2752 64.2245 36.8118 177.8693 50 D 4.1770 7.7228 118.6102 57.5455 41.0344 178.3574 51 E 4.2856 8.1340 120.1315 58.8865 29.2944 179.2959 52 M 4.0523 8.0608 119.1079 58.3042 32.0055 178.7282 53 K 3.8880 7.9785 118.6052 59.7821 32.1673 179.1232 54 H 4.0651 8.0659 115.9739 58.7171 28.5928 177.5318 55 A 4.2103 8.2493 122.7533 55.3466 18.1606 178.9345 56 D 4.3084 8.3145 116.5988 57.8205 41.2487 178.8959 57 R 3.8679 7.8163 118.2784 59.3644 30.0142 178.6269 58 Y 4.3655 7.8237 116.5110 61.2746 37.9150 178.8059 59 I 3.7887 8.2693 121.0054 64.6316 37.2703 178.4654 60 E 4.0803 8.4892 119.4792 59.1098 29.1821 179.5143 61 R 4.0496 8.0329 118.9575 59.5079 30.2739 178.2886 62 I 3.7754 8.4378 119.9769 64.6918 37.1394 178.3976 63 L 4.0603 8.0781 119.5555 57.7161 41.2377 179.3160 64 F 4.3694 8.1244 119.6090 61.2405 39.6809 176.4776 65 L 4.3064 8.2920 117.8045 53.9116 41.1632 177.1253 66 E 3.8971 8.0074 117.6002 57.4632 27.0890 174.4238 67 G 3.9667 8.2961 108.4279 43.9840 0.0000 173.6366 68 L 4.5336 8.0165 119.0427 52.0149 42.0549 175.1558 69 P 4.4053 0.0000 0.0000 62.5135 31.7906 176.0752 70 N 4.7121 9.3889 122.0978 52.4178 38.6783 173.9506 71 L 4.6074 8.3030 124.1030 54.5467 42.4885 177.5554 72 Q 4.1237 8.4464 121.7150 58.3202 29.3380 175.9582 73 D 4.6493 8.0435 116.7596 53.0623 41.8516 175.3372 74 L 4.5817 8.2781 125.1531 52.7389 44.1661 176.3326 75 G 3.7994 8.5083 115.1549 44.6082 0.0000 172.1801 76 K 4.0213 8.3114 120.6713 56.0588 32.3152 176.4118 77 L 4.1319 8.3275 126.7225 54.4413 42.3196 176.2239 78 N 4.8211 8.8622 120.4287 52.0685 40.4754 174.2469 79 I 3.8906 8.5790 126.7514 64.0205 37.7795 178.1465 80 G 4.1719 8.2757 102.1132 45.9506 0.0000 172.5973 81 E 4.7479 8.7086 116.5241 55.7381 31.7848 176.2040 82 D 5.0414 7.7169 117.6869 50.3365 44.0634 176.1140 83 V 4.0266 8.4993 118.6675 66.6192 31.3584 177.2834 84 E 3.8308 8.2413 117.9656 59.5421 29.4572 178.1768 85 E 3.9988 8.6160 119.2636 59.6587 29.6570 178.7554 86 M 4.2462 8.4709 117.2714 58.2356 31.3866 178.6097 87 L 4.1634 8.6731 120.4822 57.6691 41.7624 179.4171 88 R 3.9117 8.6229 119.0706 59.3870 30.0361 178.5780 89 S 4.1159 8.1344 113.1753 61.2972 62.3990 175.7830 90 D 4.2545 8.1842 121.6795 57.1716 40.5662 178.4368 91 L 4.0145 8.2351 120.6124 58.3019 42.1309 178.8587 92 A 4.0159 8.2349 120.7474 55.0788 18.2543 179.4066 93 L 3.9072 7.9046 118.6468 58.3438 42.1542 179.0532 94 E 4.0706 8.3870 118.5710 59.4390 29.5383 179.2938 95 L 4.0494 8.1489 119.0278 58.0751 41.7392 179.4277 96 D 4.5296 8.4375 118.9553 57.1868 40.6362 179.0895 97 G 3.6387 8.3286 106.2807 47.5527 0.0000 175.6845 98 A 4.0249 8.5174 123.5879 54.7018 18.3419 179.5786 99 K 3.8545 7.9525 117.6481 59.9147 32.2714 178.6551 100 N 4.3696 8.0894 116.5518 56.4431 38.3755 177.4143 101 L 3.9762 8.2634 120.4688 57.7738 41.5817 179.7129 102 R 3.8807 8.2567 118.2862 59.1506 30.0607 178.6558 103 E 3.8378 8.1400 118.7183 59.3253 29.6090 178.6319 104 A 2.7745 7.8308 120.8954 54.8404 18.4491 179.6298 105 I 3.7066 7.9481 118.5411 64.5145 37.0549 178.9562 106 G 3.5965 7.8179 106.5027 47.8573 0.0000 175.2243 107 Y 4.0326 8.1849 122.9755 59.7399 38.8420 177.4531 108 A 3.8218 8.2436 122.1025 55.3149 18.5044 179.0848 109 D 4.0881 7.8914 116.2203 57.3645 41.3521 178.5194 110 S 4.1202 7.5030 114.4850 60.3002 62.9658 175.7343 111 V 4.0337 6.7649 113.9929 60.7361 31.4477 175.9079 112 H 2.8351 6.9385 113.8230 56.6481 27.0262 176.4436 113 D 4.5357 7.3961 121.2341 53.4463 37.6859 176.2652 114 Y 4.3324 7.4078 121.3953 60.5968 38.3870 178.3150 115 V 3.7458 7.8444 119.9625 64.7774 31.8181 178.2735 116 S 4.1636 8.3645 115.9565 61.4388 62.6064 176.7138 117 R 3.8875 8.1291 121.1066 59.4813 29.9416 178.0635 118 D 4.3042 8.2761 117.7519 57.5783 41.3956 177.7657 119 M 4.0099 8.3263 118.9485 59.0854 32.1673 178.1446 120 M 4.1793 8.2643 118.8406 58.3849 32.0897 178.8649 121 I 3.7391 8.1391 120.4121 64.3173 37.3135 178.2777 122 E 3.9763 8.0687 119.0184 59.4013 29.2821 179.4791 123 I 3.4978 7.5847 119.4336 64.2561 37.1536 178.1802 124 L 3.9722 8.1016 121.2700 58.1716 41.9821 178.9806 125 R 3.9525 8.0659 118.6774 59.5696 29.9956 178.3089 126 D 4.3656 8.0011 118.6122 57.1306 40.7742 178.6885 127 E 3.9112 8.1951 119.2787 59.3800 29.4798 178.6591 128 E 4.1336 8.7121 119.9571 59.3466 29.5451 179.1639 129 G 3.6554 7.9383 105.1937 48.2291 0.0000 175.3706 130 H 4.4362 8.0779 119.0296 58.5853 28.6696 177.7701 131 I 3.8098 8.4307 122.0208 64.5691 36.9939 177.7297 132 D 4.3720 8.4230 118.7810 57.1998 40.9986 178.2260 133 W 4.1141 8.3539 128.6275 60.4862 30.7368 177.8363 134 L 3.7752 8.5498 119.2114 57.8865 41.0965 179.3259 135 E 3.9120 8.3893 118.5255 59.7367 29.3102 179.6673 136 T 3.7686 7.7975 115.5435 66.5374 68.5387 176.4207 137 E 3.7340 7.6572 120.4487 59.5154 29.0365 179.4519 138 L 3.7835 7.7629 118.7906 57.9839 41.6182 179.4858 139 D 4.3698 8.1826 118.7815 57.1147 40.6329 178.7388 140 L 3.9817 8.0390 119.9818 57.7406 41.7073 179.4763 141 I 3.3873 7.3806 119.6985 64.4957 36.7438 178.5445 142 Q 3.9726 7.3597 116.3829 58.7903 28.5885 178.5697 143 K 4.1471 7.9983 119.0599 58.7602 32.2998 178.3939 144 M 4.4099 8.3634 114.7929 53.9460 32.5106 177.3080 145 G 4.0984 7.5016 105.0061 45.9480 0.0000 174.4500 146 L 3.9378 8.4001 121.1715 58.0318 42.1867 179.1867 147 Q 4.0035 8.1011 117.4719 59.3915 28.8310 178.7392 148 N 4.3695 8.1764 116.6662 56.3987 38.3439 176.7598 149 Y 3.9995 7.7937 120.2179 60.5837 39.1812 177.6625 150 L 4.0672 8.3133 120.2048 57.9483 41.6562 179.2207 151 Q 3.9721 8.1528 119.1532 59.0906 28.7206 177.7423 152 A 4.1701 7.5165 118.8321 53.3518 18.7924 178.1916 153 Q 4.2876 7.9831 116.3749 55.7373 29.2247 177.6034 154 I 4.0127 7.2919 121.0095 62.7148 37.4656 176.5210 155 R 4.6698 7.5526 118.0234 53.7712 32.2479 175.6075 156 E 4.1213 8.4678 119.8225 55.9007 30.5127 175.8787 157 E 4.0370 8.5484 122.4177 55.5173 30.3994 176.6199 *158 G 3.7325 8.6131 114.1802 45.8897 0.0000 172.1629 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 4.14 0.00 1.49 1.74 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 2 K 8.47 3.94 0.00 1.84 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.69 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 4 D 8.48 4.58 0.00 2.78 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 5 T 8.90 3.87 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 1.18 0.00 0.00 6 K 8.16 3.80 0.00 1.69 1.95 0.00 1.44 0.00 0.00 1.09 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.57 0.96 7.81 7 V 8.66 3.90 2.37 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 1.10 0.00 0.00 1.21 0.00 0.00 8 I 7.79 3.79 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 0.67 0.91 0.00 0.00 9 N 8.33 4.23 0.00 2.63 2.63 0.00 0.00 7.05 7.64 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 10 Y 8.04 4.07 0.00 3.20 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 11 L 8.44 3.83 0.00 1.99 1.75 1.05 0.83 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 8.45 4.39 0.00 2.88 2.82 0.00 0.00 6.69 8.13 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 13 K 8.18 3.88 0.00 1.74 1.96 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.18 3.84 0.00 0.90 1.26 0.89 0.52 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 15 L 7.88 4.09 0.00 1.70 1.85 1.04 1.18 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 8.24 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.07 4.36 0.00 3.00 2.92 0.00 0.00 7.04 7.82 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 18 E 8.41 4.16 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.84 0.00 19 L 8.40 4.21 0.00 1.88 1.96 0.95 1.19 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 20 V 7.84 3.66 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 0.99 0.00 0.00 0.90 0.00 0.00 21 A 8.08 3.81 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 22 I 8.31 3.74 2.05 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 1.60 0.74 0.90 0.00 0.00 23 N 7.81 4.39 0.00 2.93 2.86 0.00 0.00 6.75 7.74 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 24 Q 8.36 3.84 0.00 1.98 1.86 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 2.22 2.12 0.00 25 Y 8.43 4.37 0.00 3.16 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 26 F 8.44 3.84 0.00 3.43 3.13 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 27 L 8.19 3.96 0.00 1.95 1.58 0.88 0.88 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 28 H 8.25 3.80 0.00 3.56 3.28 0.00 5.72 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 8.28 4.16 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 30 R 7.79 3.84 0.00 1.73 1.88 0.00 3.25 0.00 0.00 3.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.66 0.00 31 M 7.81 3.42 0.00 0.87 1.61 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 32 F 7.48 4.59 0.00 3.31 3.27 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 33 K 8.16 3.94 0.00 1.97 1.91 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.99 4.27 0.00 2.68 2.66 0.00 0.00 7.33 8.39 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 35 W 7.97 4.75 0.00 3.73 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 8.45 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 37 L 8.19 4.64 0.00 2.22 1.69 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 0.00 2.00 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.16 3.95 0.00 2.04 2.00 0.00 3.46 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 7.76 4.11 0.00 1.70 1.07 1.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 4.53 0.00 3.13 3.01 0.00 0.00 7.11 7.94 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 42 D 8.15 4.31 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.69 3.35 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 -0.52 0.00 0.00 0.77 0.00 0.00 44 E 8.26 3.79 0.00 2.30 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 0.00 2.47 3.01 0.00 45 Y 8.12 3.88 0.00 2.93 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 46 H 8.16 4.13 0.00 3.24 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.79 3.64 0.00 1.25 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 1.47 1.80 0.00 48 S 7.88 4.16 0.00 3.97 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 49 I 7.36 3.57 1.83 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 0.91 0.55 0.84 0.00 0.00 50 D 7.72 4.18 0.00 2.91 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 51 E 8.13 4.29 0.00 2.14 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 2.73 2.68 0.00 52 M 8.06 4.05 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 53 K 7.98 3.89 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.07 4.07 0.00 3.53 3.25 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 8.25 4.21 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 8.31 4.31 0.00 2.90 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 57 R 7.82 3.87 0.00 1.80 1.80 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 58 Y 7.82 4.37 0.00 3.23 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 8.27 3.79 2.06 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 1.58 0.79 0.95 0.00 0.00 60 E 8.49 4.08 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 2.47 0.00 61 R 8.03 4.05 0.00 2.13 2.23 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.44 3.78 2.06 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 1.58 0.65 0.99 0.00 0.00 63 L 8.08 4.06 0.00 2.10 1.79 0.99 1.10 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 64 F 8.12 4.37 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 8.29 4.31 0.00 1.83 1.63 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.90 0.00 2.07 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 2.16 2.27 0.00 67 G 8.30 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 68 L 8.02 4.53 0.00 1.60 1.62 0.92 0.99 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 69 P 0.00 4.41 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.39 4.71 0.00 2.59 2.79 0.00 0.00 7.08 7.77 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 71 L 8.30 4.61 0.00 1.64 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.45 4.12 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.04 4.65 0.00 2.69 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 8.28 4.58 0.00 1.52 1.50 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.51 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 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.55 0.89 0.96 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 78 N 8.86 4.82 0.00 2.62 2.69 0.00 0.00 7.19 7.27 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 79 I 8.58 3.89 1.89 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 1.34 0.93 0.92 0.00 0.00 80 G 8.28 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 0.00 0.00 0.00 81 E 8.71 4.75 0.00 2.00 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 2.27 2.31 0.00 82 D 7.72 5.04 0.00 2.81 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 8.50 4.03 2.20 0.00 0.00 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 1.23 0.00 0.00 84 E 8.24 3.83 0.00 2.03 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 2.33 2.28 0.00 85 E 8.62 4.00 0.00 2.39 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 2.35 2.36 0.00 86 M 8.47 4.25 0.00 2.28 1.75 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 3.05 0.00 87 L 8.67 4.16 0.00 2.04 1.78 1.26 0.74 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 88 R 8.62 3.91 0.00 2.09 1.95 0.00 3.09 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 1.63 1.63 0.00 89 S 8.13 4.12 0.00 4.05 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 90 D 8.18 4.25 0.00 3.14 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 91 L 8.24 4.01 0.00 1.83 1.90 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.23 4.02 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 93 L 7.90 3.91 0.00 1.91 1.80 0.91 0.83 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 8.39 4.07 0.00 2.27 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 2.62 2.73 0.00 95 L 8.15 4.05 0.00 2.05 1.75 0.96 0.97 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 96 D 8.44 4.53 0.00 2.71 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 8.52 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 99 K 7.95 3.85 0.00 2.07 2.00 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.09 4.37 0.00 3.01 2.91 0.00 0.00 7.13 6.74 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 0.00 101 L 8.26 3.98 0.00 1.97 1.73 0.98 1.31 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 0.00 102 R 8.26 3.88 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 103 E 8.14 3.84 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 104 A 7.83 2.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.71 2.03 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 1.15 0.91 0.00 0.00 106 G 7.82 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 8.18 4.03 0.00 3.18 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 0.00 108 A 8.24 3.82 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 0.00 109 D 7.89 4.09 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.50 4.12 0.00 3.93 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 0.00 111 V 6.76 4.03 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 0.46 0.00 0.00 0.69 0.00 0.00 112 H 6.94 2.84 0.00 3.17 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.40 4.54 0.00 2.63 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 0.00 114 Y 7.41 4.33 0.00 3.11 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 0.00 115 V 7.84 3.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 116 S 8.36 4.16 0.00 4.19 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 0.00 117 R 8.13 3.89 0.00 1.91 2.21 0.00 3.31 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 1.69 1.67 0.00 118 D 8.28 4.30 0.00 3.02 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 0.00 119 M 8.33 4.01 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 120 M 8.26 4.18 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.82 0.00 121 I 8.14 3.74 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 0.82 0.92 0.00 0.00 122 E 8.07 3.98 0.00 1.97 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 2.47 2.48 0.00 123 I 7.58 3.50 1.93 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.73 0.78 0.00 0.00 124 L 8.10 3.97 0.00 1.85 1.85 1.00 0.78 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 0.00 125 R 8.07 3.95 0.00 2.01 2.11 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 126 D 8.00 4.37 0.00 2.94 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 E 8.20 3.91 0.00 2.15 2.18 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 2.62 2.51 0.00 128 E 8.71 4.13 0.00 2.27 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 2.34 2.38 0.00 129 G 7.94 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 0.00 130 H 8.08 4.44 0.00 3.54 3.54 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 8.43 3.81 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.97 0.00 0.00 132 D 8.42 4.37 0.00 2.96 2.97 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 0.00 133 W 8.35 4.11 0.00 3.54 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 0.00 134 L 8.55 3.78 0.00 1.98 1.76 1.40 1.51 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 3.91 0.00 2.20 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 2.34 2.50 0.00 136 T 7.80 3.77 4.18 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 1.16 0.00 0.00 137 E 7.66 3.73 0.00 1.55 1.65 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 1.47 1.47 0.00 138 L 7.76 3.78 0.00 1.71 1.62 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.18 4.37 0.00 2.76 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 8.04 3.98 0.00 1.85 1.84 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.38 3.39 1.69 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.11 0.70 0.00 0.00 142 Q 7.36 3.97 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 143 K 8.00 4.15 0.00 1.72 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.36 4.41 0.00 2.17 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 2.60 2.85 0.00 145 G 7.50 4.10 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 0.00 0.00 0.00 146 L 8.40 3.94 0.00 1.74 1.66 0.94 0.84 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 0.00 147 Q 8.10 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.18 4.37 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 7.79 4.00 0.00 3.03 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 0.00 150 L 8.31 4.07 0.00 1.96 1.70 1.06 1.16 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 8.15 3.97 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.52 4.17 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 7.98 4.29 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 154 I 7.29 4.01 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.91 0.00 0.00 155 R 7.55 4.67 0.00 1.75 1.80 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 1.52 1.56 0.00 156 E 8.47 4.12 0.00 2.11 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 2.28 0.00 157 E 8.55 4.04 0.00 1.96 1.90 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 2.28 2.30 0.00 *158 G 8.61 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.