NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1490 8.1627 120.2759 54.7719 33.2394 173.9099 2 K 3.9618 8.4657 128.1491 55.9749 32.6179 175.1543 3 G 3.9789 8.7354 116.1422 45.0051 0.0000 171.5593 4 D 4.5736 8.4778 119.6136 54.3176 41.8464 177.0190 5 T 3.8657 8.9026 122.9442 66.8835 68.5006 176.5794 6 K 3.7954 8.1553 120.9025 59.1590 32.2659 178.8021 7 V 3.8887 8.6646 119.0523 66.2188 31.3740 178.0815 8 I 3.7802 7.7902 119.3150 64.4424 36.8560 178.0679 9 N 4.2319 8.3441 117.4803 56.5038 38.3583 177.0373 10 Y 4.0865 8.0563 118.0231 61.1220 38.0269 178.4359 11 L 3.8240 8.4899 120.1986 58.1569 41.6803 179.5581 12 N 4.4054 8.4828 116.5059 55.9083 38.3991 177.5341 13 K 3.8746 8.1518 121.3582 59.3984 32.3540 178.8495 14 L 3.8339 8.1812 119.6241 57.6589 41.3848 179.0492 15 L 4.0870 7.8654 120.6842 58.3195 41.9760 179.2550 16 G 3.6287 8.2510 105.7258 47.9014 0.0000 175.3973 17 N 4.3659 8.0462 118.7755 56.2540 38.3472 177.4604 18 E 4.1490 8.4324 120.2564 59.2244 29.1854 179.3342 19 L 4.2078 8.4000 120.4078 58.3493 40.4872 179.7870 20 V 3.6393 7.8395 120.2021 64.6132 31.4108 178.1088 21 A 3.8030 8.0737 121.5950 54.8047 18.2106 179.3123 22 I 3.7388 8.3107 118.5856 65.0066 37.2314 178.3910 23 N 4.3949 7.8185 115.5790 56.3434 38.3610 177.4207 24 Q 3.8231 8.3388 121.2785 59.3487 29.1085 177.8300 25 Y 4.3780 8.4342 118.1930 60.9991 37.9148 178.3356 26 F 3.8174 8.4650 121.6348 61.0909 39.5104 176.8593 27 L 3.9681 8.2235 120.0256 58.4952 41.8157 178.5089 28 H 3.8049 8.2462 115.8267 58.7534 28.6624 177.1952 29 A 4.1605 8.2990 122.8293 55.7769 18.1099 179.9465 30 R 3.8603 7.8088 115.3427 58.6166 30.0457 179.2849 31 M 3.4222 7.7743 119.2703 58.1698 31.8178 178.3129 32 F 4.5881 7.5135 118.2004 60.7801 39.1375 177.7857 33 K 3.9378 8.1311 118.9549 59.4819 31.7991 178.2288 34 N 4.2733 7.9729 116.2717 56.6016 38.9954 176.4257 35 W 4.7462 7.9847 117.7241 57.6980 29.4924 177.2426 36 G 3.9892 8.4271 108.2396 45.9386 0.0000 174.1565 37 L 4.6444 8.1892 121.8300 52.8997 38.3142 177.2203 38 K 3.8192 7.9393 122.8138 60.0462 32.5135 177.3279 39 R 3.9554 8.1511 118.5568 59.2214 30.0509 178.4469 40 L 4.1047 7.7651 118.4129 57.3934 41.5637 178.8157 41 N 4.5326 8.1579 116.9191 56.7614 38.9481 176.5341 42 D 4.3129 8.1362 120.2775 57.4570 40.9840 179.1720 43 V 3.3419 7.6783 118.4029 66.1065 31.4556 178.0084 44 E 3.7888 8.2588 118.3173 59.1579 29.2440 178.6974 45 Y 3.8668 8.1038 119.7911 61.1448 38.9840 178.0900 46 H 4.1316 8.1458 116.6858 58.5318 28.6928 177.6230 47 E 3.6461 7.7427 120.7591 58.6763 29.1610 178.8175 48 S 4.1585 7.8893 113.4906 61.6531 62.4524 176.3466 49 I 3.5677 7.3607 122.2492 64.2284 36.8411 177.8536 50 D 4.1828 7.7261 118.6283 57.5605 41.0422 178.3728 51 E 4.2846 8.1363 120.0990 58.8677 29.2920 179.3001 52 M 4.0519 8.0586 119.1192 58.3054 32.0065 178.7040 53 K 3.8803 7.9814 118.5913 59.8138 32.1781 179.1138 54 H 4.0663 8.0550 115.8853 58.7163 28.5886 177.5675 55 A 4.2105 8.2401 122.7152 55.3200 18.1512 178.9312 56 D 4.3088 8.3175 116.6392 57.8320 41.2728 178.9096 57 R 3.8644 7.8109 118.2834 59.3584 30.0048 178.6641 58 Y 4.3500 7.8327 116.5167 61.2208 37.9163 178.7274 59 I 3.7791 8.2630 121.0360 64.6493 37.2851 178.4645 60 E 4.0773 8.5042 119.4916 59.1220 29.1337 179.5091 61 R 4.0676 8.0083 118.9072 59.4713 30.2997 178.3117 62 I 3.7702 8.4585 119.9631 64.6267 37.1138 178.4133 63 L 4.0555 8.0889 119.6215 57.7449 41.2486 179.3136 64 F 4.3802 8.1025 119.5664 61.2193 39.6514 176.4314 65 L 4.3124 8.2370 117.8392 53.8328 41.1968 177.1125 66 E 3.9044 8.0084 117.6016 57.4474 27.0970 174.4607 67 G 3.9530 8.3488 108.3020 44.0138 0.0000 173.7007 68 L 4.5275 8.0130 119.0268 52.0237 42.0062 175.1773 69 P 4.4113 0.0000 0.0000 62.5009 31.7921 176.0561 70 N 4.7158 9.3513 122.1657 52.4186 38.7074 173.9258 71 L 4.6179 8.3180 124.1098 54.5494 42.4807 177.5047 72 Q 4.1362 8.4771 121.8050 58.2175 29.3704 175.9474 73 D 4.6547 8.0418 116.8123 53.0301 41.8678 175.3267 74 L 4.5804 8.2785 125.1597 52.7378 44.1587 176.3301 75 G 3.7972 8.5089 115.1641 44.6064 0.0000 172.1709 76 K 4.0145 8.3149 120.6516 56.0756 32.2972 176.4041 77 L 4.1271 8.3307 126.7550 54.4446 42.3118 176.2270 78 N 4.8211 8.8741 120.4987 52.0531 40.4497 174.2628 79 I 3.8799 8.5624 126.7461 64.0841 37.7615 178.1350 80 G 4.1653 8.2876 102.1992 45.9210 0.0000 172.5833 81 E 4.7495 8.7014 116.4435 55.7163 31.7960 176.1975 82 D 5.0476 7.7206 117.6764 50.3459 44.0521 176.1133 83 V 4.0262 8.5007 118.5996 66.6304 31.3452 177.2628 84 E 3.8336 8.2388 117.9476 59.5437 29.4666 178.1723 85 E 4.0001 8.6409 119.2803 59.6709 29.6727 178.7657 86 M 4.2504 8.4566 117.2249 58.2341 31.3853 178.6066 87 L 4.1649 8.7040 120.4598 57.6688 41.7652 179.4162 88 R 3.9084 8.6006 119.0907 59.4000 30.0571 178.5741 89 S 4.1173 8.1439 113.1577 61.3373 62.3945 175.8164 90 D 4.2658 8.1920 121.6557 57.1426 40.5374 178.4617 91 L 4.0168 8.2640 120.6778 58.2619 42.1415 178.8699 92 A 4.0110 8.2400 120.7923 55.0565 18.2658 179.4126 93 L 3.9070 7.8982 118.6355 58.3342 42.1398 179.0532 94 E 4.0711 8.3910 118.5794 59.4205 29.5478 179.2746 95 L 4.0390 8.1546 119.0450 58.0959 41.7372 179.4391 96 D 4.5250 8.4259 118.9300 57.2225 40.6411 179.0987 97 G 3.6424 8.3490 106.2371 47.5382 0.0000 175.6951 98 A 4.0233 8.5009 123.5788 54.7069 18.3616 179.5367 99 K 3.8480 7.9513 117.6839 59.9418 32.2615 178.6408 100 N 4.3674 8.1016 116.5442 56.4316 38.3617 177.4322 101 L 3.9739 8.2374 120.4167 57.8147 41.6716 179.6652 102 R 3.8876 8.3082 118.3945 59.1820 30.0657 178.7755 103 E 3.8327 8.1373 118.6878 59.2526 29.6343 178.6392 104 A 2.7718 7.8450 121.0134 54.7997 18.4424 179.6120 105 I 3.7065 7.9601 118.6168 64.5283 36.9695 178.9335 106 G 3.6029 7.6020 104.9920 47.8945 0.0000 174.8623 107 Y 4.1706 8.0817 122.5390 59.6693 38.8370 177.3786 108 A 3.8265 8.2700 122.1554 55.3218 18.5478 179.0739 109 D 4.0970 7.9168 116.3027 57.3602 41.3434 178.4811 110 S 4.1351 7.7142 114.2737 60.2087 62.9906 175.7247 111 V 4.0398 6.8362 113.6323 60.7166 31.5567 175.6680 112 H 2.7957 6.9631 113.8510 56.6717 27.0643 176.4416 113 D 4.5355 7.3945 121.1223 53.4510 37.6011 176.2924 114 Y 4.3313 7.3669 121.3356 60.6544 38.3945 178.3878 115 V 3.7376 7.8506 119.9688 64.7796 31.8010 178.2880 116 S 4.1652 8.4140 115.9450 61.4283 62.6021 176.7175 117 R 3.8861 8.1432 121.1300 59.4793 29.9778 178.0620 118 D 4.3072 8.3010 117.8001 57.5689 41.3838 177.7751 119 M 4.0110 8.3354 118.9558 59.0859 32.1818 178.1532 120 M 4.1808 8.2691 118.8458 58.3639 32.0897 178.8635 121 I 3.7347 8.1415 120.4347 64.3315 37.3271 178.2630 122 E 3.9770 8.0770 119.0330 59.4149 29.2768 179.4738 123 I 3.4984 7.5905 119.4660 64.2585 37.1416 178.1903 124 L 3.9688 8.0997 121.2520 58.1441 41.9591 178.9533 125 R 3.9359 8.0669 118.6756 59.6071 30.0195 178.3095 126 D 4.3635 7.9953 118.5423 57.1419 40.7669 178.6961 127 E 3.9207 8.2120 119.2945 59.3724 29.4799 178.6558 128 E 4.1272 8.6994 119.9670 59.3513 29.5495 179.1514 129 G 3.6622 7.9612 105.3159 48.2494 0.0000 175.3742 130 H 4.4451 8.0742 118.9568 58.5833 28.6631 177.8089 131 I 3.8155 8.4305 122.0436 64.5317 36.9994 177.7521 132 D 4.3699 8.4192 118.8129 57.1920 41.0149 178.2237 133 W 4.1146 8.3476 128.6376 60.4849 30.7406 177.7998 134 L 3.7915 8.5946 119.2870 57.9002 41.1143 179.3678 135 E 3.9104 8.3903 118.4762 59.7106 29.3173 179.6098 136 T 3.7709 7.8536 115.5435 66.5628 68.5400 176.3866 137 E 3.7330 7.6399 120.3810 59.5133 29.1640 179.4908 138 L 3.7844 7.7629 118.7863 57.9296 41.6138 179.4639 139 D 4.3824 8.1579 118.8077 57.1165 40.6348 178.7255 140 L 3.9864 8.0430 119.9809 57.7429 41.7139 179.4877 141 I 3.3843 7.3915 119.7013 64.4874 36.7398 178.5445 142 Q 3.9778 7.3554 116.3079 58.7676 28.5969 178.5428 143 K 4.1450 7.9868 119.0685 58.8022 32.2981 178.4099 144 M 4.3993 8.3555 114.7977 53.9835 32.4646 177.3350 145 G 4.0972 7.4879 104.8644 45.9333 0.0000 174.4574 146 L 3.9364 8.3991 121.0648 58.0404 42.1887 179.1589 147 Q 4.0047 8.1063 117.4742 59.4122 28.7336 178.7967 148 N 4.3786 8.1676 116.6450 56.3714 38.3461 176.7704 149 Y 3.9957 7.7902 120.3237 60.5603 39.1988 177.6780 150 L 4.0648 8.3161 120.2153 57.9272 41.6469 179.2004 151 Q 4.0098 8.1641 119.1732 59.0885 28.7228 177.7371 152 A 4.1762 7.4819 118.8668 53.3437 18.8093 178.1903 153 Q 4.2883 8.0176 116.3774 55.7415 29.2428 177.6155 154 I 4.0133 7.3035 120.9180 62.7415 37.4575 176.5258 155 R 4.6687 7.5548 118.0023 53.7835 32.2309 175.6140 156 E 4.1231 8.4636 119.8098 55.8847 30.5210 175.8865 157 E 4.0308 8.5515 122.4391 55.5326 30.3709 176.6302 *158 G 3.7326 8.6142 114.2069 45.8887 0.0000 172.1473 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 1.47 1.73 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 2.51 2.42 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 8.74 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 8.90 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 1.70 1.96 0.00 1.45 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 0.96 7.81 7 V 8.66 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 1.01 0.00 0.00 1.21 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 2.63 0.00 0.00 7.05 8.12 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 10 Y 8.06 4.09 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 8.49 3.82 0.00 1.99 1.76 1.05 0.84 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 4.41 0.00 2.87 2.82 0.00 0.00 6.69 7.66 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 13 K 8.15 3.87 0.00 1.74 1.96 0.00 1.60 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 3.83 0.00 0.90 1.26 0.90 0.52 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 7.87 4.09 0.00 1.71 1.85 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.25 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 17 N 8.05 4.37 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 8.43 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 2.78 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 3.64 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 0.96 0.00 0.00 0.94 0.00 0.00 21 A 8.07 3.80 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 8.31 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 0.89 0.91 0.00 0.00 23 N 7.82 4.39 0.00 2.93 2.86 0.00 0.00 6.76 7.82 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 24 Q 8.34 3.82 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 2.23 2.12 0.00 25 Y 8.43 4.38 0.00 3.17 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 8.47 3.82 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 8.22 3.97 0.00 1.94 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 8.25 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 8.30 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 7.81 3.86 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.67 0.00 31 M 7.77 3.42 0.00 0.88 1.60 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 32 F 7.51 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 8.13 3.94 0.00 2.05 1.91 0.00 1.56 0.00 0.00 1.59 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 7.97 4.27 0.00 2.68 2.66 0.00 0.00 7.33 8.74 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 35 W 7.98 4.75 0.00 3.73 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 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 8.19 4.64 0.00 2.22 1.69 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 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 8.15 3.96 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 7.77 4.10 0.00 1.70 1.09 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 7.12 7.81 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 42 D 8.14 4.31 0.00 2.88 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 7.68 3.34 1.73 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 -0.61 0.00 0.00 0.77 0.00 0.00 44 E 8.26 3.79 0.00 2.29 2.32 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 2.47 3.01 0.00 45 Y 8.10 3.87 0.00 2.94 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 8.15 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 7.74 3.65 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 7.89 4.16 0.00 3.96 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 49 I 7.36 3.57 1.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.62 0.84 0.00 0.00 50 D 7.73 4.18 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 8.14 4.28 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 2.67 0.00 52 M 8.06 4.05 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.03 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 3.88 0.00 1.88 1.82 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 1.63 7.81 54 H 8.05 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 8.24 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 8.32 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 3.13 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 7.83 4.35 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 8.26 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 0.81 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 2.47 0.00 61 R 8.01 4.07 0.00 2.14 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 8.46 3.77 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 0.62 0.98 0.00 0.00 63 L 8.09 4.06 0.00 2.11 1.80 0.95 1.07 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 4.38 0.00 2.97 3.33 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 0.00 0.00 0.00 65 L 8.24 4.31 0.00 1.84 1.63 1.05 0.60 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 8.01 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 2.17 2.27 0.00 67 G 8.35 3.95 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 0.00 0.00 0.00 68 L 8.01 4.53 0.00 1.60 1.63 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 3.82 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 9.35 4.72 0.00 2.59 2.72 0.00 0.00 7.08 7.80 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 71 L 8.32 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 8.48 4.14 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.74 0.00 0.00 0.00 0.00 0.00 2.33 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 1.10 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 4.01 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 0.97 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 7.36 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 79 I 8.56 3.88 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 0.92 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 2.81 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 8.50 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 0.99 0.00 0.00 1.24 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 8.64 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 8.46 4.25 0.00 2.29 1.77 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.05 0.00 87 L 8.70 4.16 0.00 2.03 1.78 1.26 0.71 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 8.60 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 8.14 4.12 0.00 4.06 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 4.27 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 8.26 4.02 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 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.24 4.01 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 1.81 0.91 0.79 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 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 2.72 0.00 95 L 8.15 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 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.43 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 8.35 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 1.40 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 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 8.10 4.37 0.00 3.00 2.91 0.00 0.00 7.13 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 8.24 3.97 0.00 1.97 1.73 0.98 1.22 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 8.31 3.89 0.00 1.97 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 1.89 0.00 103 E 8.14 3.83 0.00 2.07 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 2.33 2.38 0.00 104 A 7.85 2.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.96 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 1.18 0.91 0.00 0.00 106 G 7.60 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 8.08 4.17 0.00 3.17 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 8.27 3.83 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 7.92 4.10 0.00 2.88 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 7.71 4.14 0.00 3.99 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 6.84 4.04 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 2.80 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 7.39 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 7.37 4.33 0.00 3.12 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 0.00 115 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 1.01 0.00 0.00 0.98 0.00 0.00 116 S 8.41 4.17 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 8.14 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 8.30 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 8.34 4.01 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.14 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 8.27 4.18 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.12 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 3.73 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 0.88 0.92 0.00 0.00 122 E 8.08 3.98 0.00 2.11 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 7.59 3.50 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 1.00 0.67 0.77 0.00 0.00 124 L 8.10 3.97 0.00 1.85 1.85 0.94 0.76 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 3.94 0.00 2.02 2.12 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 1.63 1.68 0.00 126 D 8.00 4.36 0.00 2.95 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 0.00 127 E 8.21 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 8.70 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 7.96 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 4.45 0.00 3.52 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 3.82 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 0.87 0.97 0.00 0.00 132 D 8.42 4.37 0.00 2.97 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 3.45 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 1.77 1.43 1.30 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 0.00 135 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 2.33 2.50 0.00 136 T 7.85 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 1.65 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 1.72 1.62 0.89 0.91 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 8.16 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 8.04 3.99 0.00 1.84 1.84 0.95 0.91 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 7.39 3.38 1.68 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 -0.14 0.03 0.70 0.00 0.00 142 Q 7.36 3.98 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 143 K 7.99 4.14 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 4.40 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.23 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 4.10 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 8.11 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 8.17 4.38 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 3.04 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 8.32 4.06 0.00 2.05 1.70 1.06 1.17 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 8.16 4.01 0.00 2.11 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 7.48 4.18 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 0.00 153 Q 8.02 4.29 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 154 I 7.30 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 0.86 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 8.46 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 4.03 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.