NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1483 8.1627 120.2752 54.7770 33.2428 173.9073 2 K 3.9618 8.4662 128.1338 55.9698 32.6147 175.1485 3 G 3.9816 8.7312 116.1475 44.9992 0.0000 171.5412 4 D 4.5740 8.4806 119.6027 54.3244 41.8520 177.0164 5 T 3.8675 8.9057 122.9444 66.8933 68.5081 176.5837 6 K 3.7996 8.1599 120.8838 59.1534 32.2590 178.8226 7 V 3.8921 8.6344 119.0262 66.1971 31.3788 178.0800 8 I 3.7844 7.7903 119.3180 64.4361 36.8480 178.0530 9 N 4.2300 8.3388 117.4738 56.5298 38.3540 177.0458 10 Y 4.0774 8.0609 118.0028 61.1009 38.0238 178.4413 11 L 3.8316 8.4992 120.2144 58.1149 41.6716 179.5359 12 N 4.4072 8.4805 116.5503 55.9197 38.4040 177.5175 13 K 3.8720 8.1703 121.3890 59.3987 32.3496 178.8593 14 L 3.8372 8.1644 119.6465 57.6488 41.3852 179.0622 15 L 4.0924 7.9015 120.6881 58.2956 41.9746 179.2687 16 G 3.6162 8.2235 105.7088 47.8803 0.0000 175.3969 17 N 4.3659 8.0519 118.8015 56.2643 38.5178 177.4570 18 E 4.1536 8.4354 120.2408 59.2052 29.2567 179.3322 19 L 4.2136 8.3815 120.4247 58.3782 40.4841 179.7921 20 V 3.6508 7.8462 120.1743 64.6210 31.4050 178.1349 21 A 3.8139 8.0946 121.5932 54.7756 18.1989 179.3123 22 I 3.7404 8.3146 118.6217 65.0145 37.2468 178.3931 23 N 4.3942 7.8158 115.5252 56.3528 38.3690 177.4274 24 Q 3.8335 8.3727 121.3403 59.3333 29.0811 177.8255 25 Y 4.3694 8.4398 118.2234 60.9730 37.9073 178.3291 26 F 3.8305 8.4479 121.6635 61.0970 39.5184 176.8729 27 L 3.9698 8.2034 120.0131 58.4887 41.8196 178.5009 28 H 3.8035 8.2439 115.8210 58.7604 28.6562 177.1853 29 A 4.1535 8.2777 122.8216 55.7845 18.1050 179.9600 30 R 3.8467 7.8324 115.3862 58.6567 30.0333 179.2950 31 M 3.4161 7.7714 119.2402 58.1667 31.8266 178.3515 32 F 4.5720 7.5118 118.2075 60.7356 39.1376 177.7701 33 K 3.9407 8.1356 119.0117 59.4806 31.8002 178.2239 34 N 4.2753 7.9806 116.2978 56.6119 38.9895 176.4218 35 W 4.7480 8.0162 117.7755 57.7192 29.5797 177.2518 36 G 3.9950 8.4251 108.2470 45.8851 0.0000 174.1215 37 L 4.6418 8.1799 121.7605 52.9627 38.3215 177.2550 38 K 3.8204 7.9509 122.7355 60.0442 32.5027 177.3223 39 R 3.9660 8.1305 118.5513 59.2008 30.0498 178.4385 40 L 4.1034 7.7685 118.4181 57.3873 41.5934 178.7934 41 N 4.5358 8.1562 116.8881 56.7616 38.9416 176.5762 42 D 4.3087 8.1312 120.2589 57.4197 40.9827 179.1314 43 V 3.3395 7.6664 118.4565 66.1102 31.4740 178.0184 44 E 3.7936 8.2648 118.3270 59.1478 29.2522 178.6791 45 Y 3.8813 8.0870 119.7704 61.1573 39.0082 178.1048 46 H 4.1393 8.1574 116.6778 58.5393 28.6941 177.6290 47 E 3.6447 7.7695 120.7569 58.7055 29.1485 178.8735 48 S 4.1560 7.8807 113.4361 61.6143 62.4483 176.3285 49 I 3.5701 7.3743 122.3048 64.2131 36.8269 177.8440 50 D 4.1745 7.7154 118.5973 57.5650 41.0598 178.3801 51 E 4.2798 8.1338 120.0895 58.8498 29.3017 179.2842 52 M 4.0603 8.0588 119.1326 58.3095 32.0023 178.7408 53 K 3.8935 7.9641 118.6147 59.7608 32.1515 179.1325 54 H 4.0690 8.0598 115.9685 58.7331 28.6005 177.5879 55 A 4.2062 8.2109 122.6513 55.2923 18.1604 178.9474 56 D 4.3050 8.3197 116.6526 57.8023 41.2758 178.8979 57 R 3.8627 7.8100 118.3011 59.3401 30.0041 178.6074 58 Y 4.3597 7.7975 116.5267 61.2917 37.9228 178.8233 59 I 3.7837 8.2711 120.9885 64.6357 37.2712 178.4672 60 E 4.0770 8.4963 119.4933 59.1289 29.1294 179.5118 61 R 4.0543 8.0137 118.9150 59.4990 30.2846 178.3269 62 I 3.7622 8.4686 119.9720 64.6437 37.1307 178.4136 63 L 4.0618 8.0749 119.6153 57.7316 41.2414 179.3254 64 F 4.3711 8.1004 119.6022 61.2137 39.6588 176.4471 65 L 4.3142 8.1943 117.7809 53.8327 41.1978 177.0837 66 E 3.9007 8.0040 117.5910 57.4764 27.0928 174.4410 67 G 3.9639 8.3294 108.4219 43.9981 0.0000 173.6469 68 L 4.5331 8.0165 119.0563 52.0122 42.0491 175.1452 69 P 4.4048 0.0000 0.0000 62.5134 31.7885 176.0234 70 N 4.7159 9.3796 122.1694 52.4238 38.7421 173.9492 71 L 4.6206 8.3257 124.1949 54.5681 42.4953 177.5087 72 Q 4.1298 8.4987 121.8089 58.2944 29.3513 175.9634 73 D 4.6368 8.0519 116.8072 53.0812 41.8215 175.3315 74 L 4.5744 8.2842 125.2346 52.7328 44.1038 176.3085 75 G 3.7972 8.5057 115.1942 44.6241 0.0000 172.1303 76 K 4.0230 8.3114 120.6618 56.0409 32.3040 176.4136 77 L 4.1236 8.3347 126.7667 54.4501 42.3064 176.2086 78 N 4.8237 8.8690 120.5353 52.0641 40.4565 174.2340 79 I 3.8915 8.5680 126.7409 64.0560 37.7839 178.1077 80 G 4.1652 8.2894 102.2371 45.9223 0.0000 172.5817 81 E 4.7476 8.7007 116.4818 55.7259 31.8114 176.1936 82 D 5.0499 7.7228 117.6535 50.3192 44.0572 176.1738 83 V 4.0300 8.4915 118.6523 66.5969 31.3462 177.3081 84 E 3.8323 8.2270 117.9689 59.5044 29.4879 178.1304 85 E 4.0007 8.6242 119.3328 59.6576 29.6425 178.7381 86 M 4.2550 8.4890 117.2775 58.1988 31.4211 178.6026 87 L 4.1560 8.6794 120.4700 57.6906 41.7481 179.4127 88 R 3.9183 8.5756 119.0941 59.3909 29.9781 178.5785 89 S 4.1104 8.1332 113.1614 61.3282 62.4188 175.7884 90 D 4.2497 8.1930 121.6938 57.1629 40.5381 178.4633 91 L 4.0171 8.2254 120.5949 58.2833 42.1442 178.8383 92 A 4.0070 8.2681 120.8431 55.1136 18.2558 179.4031 93 L 3.9130 7.9357 118.7555 58.3210 42.1300 179.0647 94 E 4.0703 8.3771 118.5622 59.4209 29.5499 179.2834 95 L 4.0412 8.1629 119.0653 58.0810 41.7420 179.4325 96 D 4.5253 8.4245 118.9422 57.2082 40.6382 179.0962 97 G 3.6412 8.3366 106.2603 47.5507 0.0000 175.6960 98 A 4.0227 8.5013 123.5808 54.6956 18.4692 179.5246 99 K 3.8455 7.9658 117.7723 59.9431 32.2539 178.6331 100 N 4.3804 8.0958 116.5147 56.4487 38.3768 177.4324 101 L 3.9786 8.2490 120.4371 57.7957 41.6335 179.6634 102 R 3.9028 8.3100 118.3588 59.2993 30.1353 179.0393 103 E 3.8779 8.0923 117.7029 59.3646 29.4361 179.1888 104 A 2.7683 7.8660 120.9957 54.7894 18.4528 179.6894 105 I 3.6979 7.9270 118.5420 64.5430 37.0334 178.9382 106 G 3.6043 7.8280 106.2495 47.8868 0.0000 175.1922 107 Y 4.0306 8.1162 122.6410 59.6870 38.8194 177.4156 108 A 3.8233 8.2065 122.0453 55.2916 18.5548 179.1006 109 D 4.0821 7.8995 116.2834 57.3207 41.4311 178.4534 110 S 4.1368 7.4873 114.3105 60.1848 62.9878 175.7269 111 V 4.0089 6.7496 114.1311 60.7209 31.4594 175.8335 112 H 2.8129 6.9619 113.8118 56.6828 27.0497 176.4459 113 D 4.5400 7.4138 121.1818 53.4509 37.6300 176.2887 114 Y 4.3463 7.4227 121.3465 60.6353 38.3964 178.3472 115 V 3.7446 7.8483 119.9667 64.7575 31.8210 178.2893 116 S 4.1615 8.4084 115.9392 61.4281 62.6052 176.6941 117 R 3.8877 8.1136 121.1233 59.4930 29.9501 178.0489 118 D 4.3097 8.2902 117.7684 57.5834 41.3783 177.7844 119 M 4.0137 8.2939 118.8629 59.0722 32.1460 178.1506 120 M 4.1842 8.2612 118.8534 58.3678 32.1066 178.8567 121 I 3.7269 8.1554 120.4498 64.3375 37.2747 178.2783 122 E 3.9809 8.0681 119.0036 59.4013 29.2811 179.4881 123 I 3.4905 7.5713 119.3613 64.2492 37.1640 178.1575 124 L 3.9686 8.1354 121.3513 58.1957 41.9841 178.9826 125 R 3.9515 8.0904 118.6194 59.5865 30.0102 178.3037 126 D 4.3657 8.0219 118.6775 57.1552 40.7639 178.6917 127 E 3.9246 8.2005 119.2917 59.3526 29.4705 178.6593 128 E 4.1311 8.7327 119.9582 59.3222 29.5556 179.1556 129 G 3.6586 7.9334 105.1820 48.2236 0.0000 175.3493 130 H 4.4245 8.0660 119.0199 58.6004 28.6879 177.7502 131 I 3.8119 8.4122 122.0122 64.5831 37.0090 177.7045 132 D 4.3755 8.4290 118.7883 57.2121 41.0008 178.2465 133 W 4.1131 8.3315 128.5895 60.5045 30.7608 177.8232 134 L 3.7902 8.5946 119.2950 57.8882 41.0862 179.3697 135 E 3.9169 8.3826 118.4817 59.7039 29.3090 179.6422 136 T 3.7674 7.8197 115.5639 66.5427 68.5351 176.4368 137 E 3.7288 7.6408 120.4188 59.5088 29.0640 179.4807 138 L 3.7870 7.7429 118.7544 57.9396 41.6020 179.4627 139 D 4.3760 8.1833 118.8283 57.0983 40.6367 178.7318 140 L 3.9798 8.0301 119.9807 57.7362 41.7156 179.4821 141 I 3.3859 7.3772 119.7119 64.4797 36.7408 178.5465 142 Q 3.9744 7.3576 116.3747 58.7910 28.5937 178.5707 143 K 4.1456 7.9997 119.0508 58.7973 32.2955 178.4066 144 M 4.4049 8.3407 114.7027 53.9297 32.4692 177.2730 145 G 4.1052 7.4933 104.9691 45.9832 0.0000 174.4822 146 L 3.9288 8.4043 121.1827 58.0527 42.1876 179.1674 147 Q 4.0051 8.1095 117.4661 59.4107 28.8090 178.7790 148 N 4.3704 8.1797 116.6374 56.4033 38.3396 176.7594 149 Y 4.0019 7.7816 120.2538 60.5701 39.1944 177.6800 150 L 4.0636 8.3264 120.2353 57.9329 41.6573 179.1941 151 Q 3.9992 8.1333 119.1857 59.1080 28.7184 177.7632 152 A 4.1699 7.5101 118.8048 53.3621 18.8063 178.1921 153 Q 4.2905 8.0123 116.3830 55.7428 29.2353 177.6137 154 I 4.0242 7.2899 120.9939 62.7289 37.4614 176.5285 155 R 4.6680 7.5530 118.0283 53.7718 32.2278 175.6239 156 E 4.1202 8.4721 119.8633 55.9112 30.5072 175.8701 157 E 4.0436 8.5477 122.3913 55.4968 30.4078 176.6099 *158 G 3.7327 8.6132 114.1773 45.8899 0.0000 172.1639 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 4.15 0.00 1.49 1.74 0.00 0.00 0.00 0.00 0.00 -0.15 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 3.96 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 8.73 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 4.57 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 8.91 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 1.96 0.00 1.44 0.00 0.00 1.10 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.57 0.97 7.81 7 V 8.63 3.89 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 1.00 0.00 0.00 1.16 0.00 0.00 8 I 7.79 3.78 2.04 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 0.68 0.91 0.00 0.00 9 N 8.34 4.23 0.00 2.63 2.64 0.00 0.00 7.05 7.98 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 10 Y 8.06 4.08 0.00 3.19 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 11 L 8.50 3.83 0.00 1.99 1.76 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.48 4.41 0.00 2.87 2.82 0.00 0.00 6.69 8.38 0.00 0.00 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 8.17 3.87 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 8.16 3.84 0.00 0.92 1.23 0.90 0.49 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 15 L 7.90 4.09 0.00 1.72 1.85 1.04 1.16 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 8.22 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 8.05 4.37 0.00 2.99 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 8.44 4.15 0.00 2.26 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 2.79 2.84 0.00 19 L 8.38 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 7.85 3.65 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 0.95 0.00 0.00 0.95 0.00 0.00 21 A 8.09 3.81 1.45 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 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 1.75 0.74 0.91 0.00 0.00 23 N 7.82 4.39 0.00 2.93 2.86 0.00 0.00 6.76 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 24 Q 8.37 3.83 0.00 1.98 1.87 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 8.44 4.37 0.00 3.17 3.06 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 26 F 8.45 3.83 0.00 3.43 3.12 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 27 L 8.20 3.97 0.00 1.95 1.58 0.88 0.86 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 8.24 3.80 0.00 3.56 3.30 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 4.15 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 30 R 7.83 3.85 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.66 0.00 31 M 7.77 3.42 0.00 0.87 1.60 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.12 0.00 32 F 7.51 4.57 0.00 3.29 3.28 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 33 K 8.14 3.94 0.00 2.04 1.91 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.98 4.28 0.00 2.68 2.66 0.00 0.00 7.33 8.63 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 35 W 8.02 4.75 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 8.43 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 8.18 4.64 0.00 2.23 1.70 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 0.00 1.99 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 8.13 3.97 0.00 2.04 2.01 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 7.77 4.10 0.00 1.71 1.09 1.04 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 4.54 0.00 3.13 3.02 0.00 0.00 7.12 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 42 D 8.13 4.31 0.00 2.88 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 43 V 7.67 3.34 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 0.72 0.00 0.00 44 E 8.26 3.79 0.00 2.29 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 3.00 0.00 45 Y 8.09 3.88 0.00 2.95 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 4.14 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 7.77 3.64 0.00 1.26 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 1.81 0.00 48 S 7.88 4.16 0.00 3.97 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 49 I 7.37 3.57 1.83 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.84 0.00 0.00 50 D 7.72 4.17 0.00 2.91 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 51 E 8.13 4.28 0.00 2.14 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 2.72 2.68 0.00 52 M 8.06 4.06 0.00 2.04 2.23 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 2.74 2.55 0.00 53 K 7.96 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 1.41 1.63 7.81 54 H 8.06 4.07 0.00 3.53 3.26 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 8.21 4.21 1.47 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 0.00 0.00 56 D 8.32 4.31 0.00 2.89 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 7.81 3.86 0.00 1.80 1.79 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 1.58 1.73 0.00 58 Y 7.80 4.36 0.00 3.22 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 59 I 8.27 3.78 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 0.75 0.95 0.00 0.00 60 E 8.50 4.08 0.00 2.02 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 2.46 0.00 61 R 8.01 4.05 0.00 2.14 2.20 0.00 3.35 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 8.47 3.76 1.94 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 0.62 0.97 0.00 0.00 63 L 8.07 4.06 0.00 2.11 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 8.10 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 8.19 4.31 0.00 1.85 1.63 1.04 0.77 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 3.90 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 8.33 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 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 4.40 0.00 2.06 2.03 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 9.38 4.72 0.00 2.59 2.78 0.00 0.00 7.08 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 71 L 8.33 4.62 0.00 1.63 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.50 4.13 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 73 D 8.05 4.64 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.28 4.57 0.00 1.52 1.50 0.91 1.10 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 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 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.12 0.00 1.64 1.56 0.89 0.97 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 8.87 4.82 0.00 2.62 2.69 0.00 0.00 7.19 7.29 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 79 I 8.57 3.89 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.93 0.00 0.00 80 G 8.29 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 8.70 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 5.05 0.00 2.82 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 83 V 8.49 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 1.04 0.00 0.00 1.25 0.00 0.00 84 E 8.23 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 8.49 4.25 0.00 2.28 1.78 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.06 0.00 87 L 8.68 4.16 0.00 2.03 1.78 1.29 0.72 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 88 R 8.58 3.92 0.00 2.10 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 4.11 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 8.19 4.25 0.00 3.13 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 91 L 8.23 4.02 0.00 1.83 1.90 0.98 0.85 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 8.27 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.90 1.80 0.91 0.87 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 8.38 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 2.63 2.73 0.00 95 L 8.16 4.04 0.00 2.05 1.75 0.96 0.95 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 8.42 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 8.34 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 8.50 4.02 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 7.97 3.85 0.00 2.08 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 1.51 7.81 100 N 8.10 4.38 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 8.25 3.98 0.00 1.97 1.73 0.98 1.26 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 0.00 102 R 8.31 3.90 0.00 1.97 1.98 0.00 3.14 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 1.66 1.93 0.00 103 E 8.09 3.88 0.00 2.16 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 2.36 2.51 0.00 104 A 7.87 2.77 1.01 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 0.00 0.00 0.00 0.00 0.00 105 I 7.93 3.70 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 1.18 0.91 0.00 0.00 106 G 7.83 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 8.12 4.03 0.00 3.19 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 8.21 3.82 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 0.00 109 D 7.90 4.08 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 7.49 4.14 0.00 3.94 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 6.75 4.01 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 0.49 0.00 0.00 0.67 0.00 0.00 112 H 6.96 2.81 0.00 3.18 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.41 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 7.42 4.35 0.00 3.10 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 0.00 115 V 7.85 3.74 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 0.91 0.00 0.00 0.97 0.00 0.00 116 S 8.41 4.16 0.00 4.19 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 8.11 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 1.68 1.67 0.00 118 D 8.29 4.31 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 8.29 4.01 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 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 2.10 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 8.16 3.73 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 1.00 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 7.57 3.49 1.94 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.73 0.78 0.00 0.00 124 L 8.14 3.97 0.00 1.84 1.85 0.95 1.08 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 8.09 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 8.02 4.37 0.00 2.93 2.79 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 0.00 0.00 0.00 127 E 8.20 3.92 0.00 2.16 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 8.73 4.13 0.00 2.26 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 7.93 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 8.07 4.42 0.00 3.53 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 8.41 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 0.85 0.97 0.00 0.00 132 D 8.43 4.38 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 8.33 4.11 0.00 3.54 3.45 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 0.00 0.00 0.00 0.00 134 L 8.59 3.79 0.00 1.97 1.76 1.41 1.25 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 8.38 3.92 0.00 2.14 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 2.33 2.49 0.00 136 T 7.82 3.77 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 1.16 0.00 0.00 137 E 7.64 3.73 0.00 1.55 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 0.00 1.47 1.47 0.00 138 L 7.74 3.79 0.00 1.72 1.62 0.89 0.85 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 0.00 139 D 8.18 4.38 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 8.03 3.98 0.00 1.84 1.84 0.95 0.96 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 0.00 141 I 7.38 3.39 1.69 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.04 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 6.98 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 8.34 4.40 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 145 G 7.49 4.11 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 0.00 146 L 8.40 3.93 0.00 1.74 1.66 0.94 0.86 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 8.11 4.01 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 7.78 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 8.33 4.06 0.00 2.04 1.70 1.07 1.06 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 0.00 151 Q 8.13 4.00 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 7.51 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 8.01 4.29 0.00 1.99 2.01 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 2.00 2.19 0.00 154 I 7.29 4.02 1.99 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 3.27 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.