NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1878 8.1627 120.2789 54.6992 33.2473 174.0033 2 K 4.0843 8.5321 128.2761 56.2887 32.7128 175.0817 3 G 4.0100 8.6056 116.0760 44.8420 0.0000 171.4407 4 D 4.6685 8.4300 119.2632 54.0596 42.0776 177.1540 5 T 3.8567 8.9206 123.0490 66.9646 68.5622 176.5676 6 K 3.8159 8.1416 120.7156 59.0673 32.1963 178.8655 7 V 3.8713 8.4872 118.8740 66.2393 31.4529 177.9667 8 I 3.7991 7.7420 119.3239 64.4973 36.9172 178.1327 9 N 4.2411 8.2733 117.2081 56.4543 38.3795 177.0220 10 Y 4.0967 7.9902 117.9599 61.1399 38.0421 178.4419 11 L 3.8570 8.5551 120.1408 58.1580 41.6962 179.5537 12 N 4.3359 8.4883 116.5032 56.0264 38.4446 177.4575 13 K 3.8664 8.0073 121.0576 59.3959 32.3308 178.8714 14 L 3.8206 8.2249 119.6070 57.6449 41.4896 179.0261 15 L 4.0273 7.8424 120.7127 58.2395 41.8724 179.3139 16 G 3.6131 8.1435 105.5983 47.8837 0.0000 175.3889 17 N 4.3776 8.0170 118.9697 56.0563 38.5241 177.2895 18 E 4.1108 8.2746 120.1857 59.3100 29.1582 179.0314 19 L 4.3366 8.0743 118.6630 57.2471 40.7831 179.4188 20 V 3.6133 7.7053 120.5621 64.8222 31.4775 178.0073 21 A 3.9047 8.0764 121.7170 54.8585 18.2181 179.3925 22 I 3.7542 8.2231 118.6282 64.9599 37.1909 178.4495 23 N 4.4212 7.8848 116.0078 56.2798 38.3234 177.4488 24 Q 3.8392 8.3670 121.2775 59.3662 29.0873 177.8152 25 Y 4.2858 8.5436 118.2460 60.9682 37.9798 178.2957 26 F 3.9150 8.4877 121.7595 60.9987 39.6046 176.9341 27 L 3.9377 8.2585 120.0748 58.5777 41.8837 178.3638 28 H 3.8051 8.2784 116.0677 58.9202 28.6741 177.3287 29 A 4.1553 8.0953 122.2582 55.4720 18.2474 179.6520 30 R 3.9392 7.6072 114.9087 58.1516 30.2447 179.1685 31 M 3.4206 7.5046 119.2968 58.1294 31.9144 178.3873 32 F 4.5902 7.4300 117.9261 60.6457 39.1306 177.6843 33 K 3.9538 8.1737 119.1098 59.4513 31.7728 178.2483 34 N 4.2834 7.6996 116.1312 56.5605 39.0133 176.3846 35 W 4.7557 7.8336 117.1537 57.3927 29.0801 177.2126 36 G 3.9832 8.3393 108.1779 46.2229 0.0000 174.3124 37 L 4.7005 7.9265 121.9014 52.6870 38.2016 177.0260 38 K 3.8122 7.9740 122.8903 60.0072 32.6284 177.3878 39 R 3.9884 8.3318 118.8135 59.0558 29.9580 178.3893 40 L 4.1308 7.8743 118.8665 57.2620 41.5156 178.8323 41 N 4.5470 8.1601 116.7122 56.8332 39.0590 176.2939 42 D 4.3738 8.0636 120.2742 57.5886 40.9538 179.2643 43 V 3.3550 7.6246 118.1743 65.8596 31.5080 177.7463 44 E 3.8413 8.3860 119.2434 59.1500 29.5197 177.9789 45 Y 3.9843 8.4464 120.1771 61.0744 38.9008 177.7005 46 H 3.9668 8.2901 118.9677 59.2377 29.8623 177.0523 47 E 3.5442 7.7377 120.4569 58.6558 29.1191 178.9060 48 S 4.0518 7.6220 113.4105 61.5318 62.4155 176.3747 49 I 3.5140 7.1759 122.1384 64.2843 36.7686 177.9568 50 D 4.1777 7.6868 119.5932 57.6085 40.6187 178.8558 51 E 3.9926 8.0760 118.7134 59.6945 29.3765 179.4613 52 M 4.0408 7.9436 118.6888 58.3280 32.0229 178.8790 53 K 3.9525 7.9643 118.5873 59.6390 32.1892 179.0489 54 H 4.0790 8.2560 116.2093 58.8014 28.6052 177.4942 55 A 4.2181 8.2482 122.6181 55.4067 18.2560 178.9160 56 D 4.2991 8.4702 116.7997 57.7046 41.2070 178.7887 57 R 3.8607 7.9934 118.2064 59.5011 30.0842 178.5108 58 Y 4.3398 7.6807 116.2847 61.3117 37.9047 178.8857 59 I 3.7686 8.1475 120.7290 64.6979 37.2688 178.4637 60 E 4.0525 8.3630 119.2684 59.1191 29.1716 179.5311 61 R 4.0409 8.1103 118.9418 59.4984 30.1866 178.3774 62 I 3.7668 8.4235 119.9585 64.6427 37.1515 178.4240 63 L 4.0244 8.1697 119.6395 57.7495 41.2123 179.3833 64 F 4.3579 8.1525 119.7613 61.1469 39.7084 176.4565 65 L 4.3408 8.1646 117.9685 53.9168 41.2109 177.1482 66 E 3.8615 8.0086 117.6495 57.4194 27.0249 174.4644 67 G 3.9528 8.1505 108.1792 44.0054 0.0000 173.6640 68 L 4.5258 8.0168 119.0014 52.0282 42.1069 175.2376 69 P 4.4161 0.0000 0.0000 62.4857 31.7767 175.8240 70 N 4.7481 9.5915 122.2180 52.3447 39.0709 173.8414 71 L 4.6491 8.2798 124.2608 54.6560 42.5347 177.9960 72 Q 4.0886 8.5679 119.8879 58.7598 28.8312 176.4504 73 D 4.6615 8.0440 116.5097 53.0239 41.8885 175.4288 74 L 4.6139 8.2571 125.2346 52.7027 44.2711 176.3449 75 G 3.8009 8.4865 114.9370 44.6507 0.0000 172.3365 76 K 4.0229 8.3090 120.6822 56.0044 32.3197 176.2572 77 L 4.0811 8.4135 127.0204 54.3688 42.2362 176.0237 78 N 4.7830 8.8263 122.1611 51.9127 39.5851 173.2266 79 I 4.3550 8.1764 126.5790 59.6045 38.7433 176.6135 80 G 4.0423 8.6115 114.0811 44.9490 0.0000 172.7434 81 E 4.6711 8.7950 116.8673 56.4826 31.0320 176.5298 82 D 4.9613 7.6630 117.6286 50.2767 44.0222 175.9951 83 V 4.0295 8.5534 119.7223 66.7521 31.4243 177.6221 84 E 3.8141 8.2202 117.9224 59.4646 29.5609 177.9947 85 E 3.9831 8.5371 119.3707 59.6754 29.5918 178.9180 86 M 4.0780 8.5231 117.1738 58.3336 31.4109 178.5020 87 L 4.1243 8.5739 120.6594 57.6132 41.8550 179.5378 88 R 3.9013 8.6442 118.8948 59.3332 30.0614 178.5719 89 S 4.1073 8.2879 113.1606 61.3781 62.3415 175.8244 90 D 4.2237 8.1674 121.6977 57.1032 40.4688 178.4498 91 L 3.9881 8.1873 120.6281 58.3287 42.1806 178.9742 92 A 3.9874 7.9690 120.4946 54.9792 18.2249 179.4261 93 L 3.9417 7.8570 118.5941 58.1621 42.0940 178.9279 94 E 4.0605 8.5766 118.9669 59.5024 29.4843 179.2535 95 L 4.0268 8.1734 119.0595 58.0451 41.7852 179.4162 96 D 4.4892 8.3450 118.8381 57.3231 40.7814 179.0269 97 G 3.6882 8.3381 106.0395 47.7813 0.0000 175.5916 98 A 4.0527 8.4352 123.4804 54.6310 18.5239 179.4555 99 K 3.8258 8.0996 118.1824 60.0082 32.2818 178.7161 100 N 4.4148 8.1107 116.3257 56.2223 38.3271 177.4795 101 L 3.9793 8.0804 120.3854 57.8455 41.7443 179.5403 102 R 3.8902 8.1105 118.0760 59.2902 30.0275 178.7453 103 E 3.8497 8.0564 118.2302 59.3137 29.7297 178.7395 104 A 2.8287 7.7590 120.7406 54.7279 18.3214 179.7067 105 I 3.7390 7.9459 118.6930 64.4684 36.9635 178.9153 106 G 3.5921 7.6312 105.0658 47.7967 0.0000 174.9213 107 Y 4.0647 7.9393 121.6097 60.3384 38.8890 177.4180 108 A 3.8166 8.3669 122.1857 55.4907 18.5257 179.1139 109 D 4.0552 7.9092 116.3655 57.2855 41.0856 178.3312 110 S 4.1677 7.4502 113.0797 60.0034 63.3090 175.6933 111 V 3.9240 6.7840 114.1683 60.7480 31.5698 175.5023 112 H 2.9617 6.9005 113.4033 56.8243 26.9721 176.4394 113 D 4.5250 7.3238 121.3364 53.3079 37.8364 176.1474 114 Y 4.3081 7.3870 121.5283 60.5162 38.3638 178.1823 115 V 3.7350 7.8668 119.9178 64.6478 31.7917 178.3264 116 S 4.1631 8.2485 115.5253 61.5474 62.6525 176.6627 117 R 3.8821 8.1092 121.1371 59.4642 29.8942 178.1010 118 D 4.2876 8.3349 117.9798 57.4635 41.2775 177.6373 119 M 3.9744 8.3492 119.1211 59.2321 32.1165 178.2064 120 M 4.1492 8.2965 118.7949 58.3692 32.1144 178.8520 121 I 3.7509 8.1117 120.3701 64.2124 37.3271 178.3106 122 E 3.9627 8.0945 119.1711 59.4901 29.3423 179.4215 123 I 3.5703 7.6332 119.7858 64.2644 37.0577 178.2353 124 L 3.9740 8.1983 121.5580 58.1098 41.9798 178.9339 125 R 3.8969 8.1000 118.6797 59.5571 29.9735 178.2569 126 D 4.3462 7.9549 118.3970 57.2778 40.8000 178.6730 127 E 3.9140 8.1660 119.0695 59.4232 29.4562 178.6850 128 E 4.1066 8.5991 119.9086 59.4361 29.5159 179.2290 129 G 3.6433 7.9037 104.9287 48.2243 0.0000 175.3087 130 H 4.4326 8.1155 119.1490 58.5972 28.6611 177.8656 131 I 3.8161 8.4135 121.9094 64.5826 37.0074 177.7508 132 D 4.3783 8.4270 118.9456 57.1874 40.9283 178.1535 133 W 4.1199 8.5377 128.6011 60.5164 30.7354 177.5404 134 L 3.6888 8.2648 118.8472 58.0873 41.1968 179.4404 135 E 3.9026 8.3811 118.2224 59.8203 29.3306 179.7611 136 T 3.8057 7.7867 115.5062 66.5426 68.5157 176.5713 137 E 3.7742 7.7255 120.4747 59.4085 28.9927 179.3999 138 L 3.7619 7.8045 118.9855 57.9777 41.5885 179.4624 139 D 4.3151 8.1000 118.6785 57.2262 40.6144 178.8225 140 L 3.9774 8.0097 119.8211 57.7151 41.6547 179.5005 141 I 3.3798 7.5069 119.8499 64.3380 36.7200 178.2890 142 Q 3.9255 7.4074 118.7258 58.9029 28.9455 178.0230 143 K 4.1272 8.0453 119.1886 59.1273 32.3199 178.4768 144 M 4.3774 8.3116 114.4966 54.1873 32.3629 177.3441 145 G 4.0740 7.5427 104.9971 45.8109 0.0000 174.4274 146 L 3.9904 8.3389 120.5853 57.9576 42.1279 179.2223 147 Q 3.9970 8.0200 117.5182 59.2286 28.7992 178.4987 148 N 4.3486 8.1340 116.9071 56.2822 38.3941 176.5776 149 Y 3.9988 7.8505 120.0944 60.7090 39.0958 178.0361 150 L 4.0799 8.3480 120.0703 57.9710 41.6602 179.2184 151 Q 3.9006 8.2133 119.1895 59.1434 28.7159 177.8695 152 A 4.1502 7.7451 119.5592 53.5086 18.6289 178.2126 153 Q 4.3416 7.8406 116.0715 55.5821 29.2284 177.5117 154 I 3.9416 7.4497 121.1644 62.5975 37.4392 176.3434 155 R 4.5945 7.5412 119.6905 53.6546 32.1997 174.7795 156 E 4.0551 8.6297 123.4529 56.0096 30.3143 175.9939 157 E 3.9479 8.5976 123.5671 55.7628 30.3875 176.5990 *158 G 3.7298 8.6089 114.1088 45.8919 0.0000 172.2131 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 4.19 0.00 1.44 1.85 0.00 0.00 0.00 0.00 0.00 -0.22 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 8.53 4.08 0.00 1.84 1.67 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.61 4.01 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 0.00 4 D 8.43 4.67 0.00 2.78 2.61 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 0.00 0.00 0.00 0.00 5 T 8.92 3.86 4.23 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 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.14 3.82 0.00 1.67 1.72 0.00 1.41 0.00 0.00 1.05 0.00 0.00 2.30 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.83 1.02 7.81 7 V 8.49 3.87 2.34 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 1.14 0.00 0.00 1.20 0.00 0.00 8 I 7.74 3.80 2.04 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 1.55 0.69 0.91 0.00 0.00 9 N 8.27 4.24 0.00 2.72 2.58 0.00 0.00 7.02 7.10 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 10 Y 7.99 4.10 0.00 3.31 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 8.56 3.86 0.00 2.00 1.78 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.49 4.34 0.00 2.76 2.81 0.00 0.00 6.70 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 13 K 8.01 3.87 0.00 1.77 1.96 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.22 3.82 0.00 1.06 1.19 0.92 0.51 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 15 L 7.84 4.03 0.00 1.67 1.85 1.03 1.09 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 16 G 8.14 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.02 4.38 0.00 2.98 2.92 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 8.27 4.11 0.00 2.32 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 0.00 2.80 2.85 0.00 19 L 8.07 4.34 0.00 1.90 1.94 0.94 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 20 V 7.71 3.61 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 0.91 0.00 0.00 0.96 0.00 0.00 21 A 8.08 3.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.75 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 1.55 0.84 0.89 0.00 0.00 23 N 7.88 4.42 0.00 2.92 2.87 0.00 0.00 6.72 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.37 3.84 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 25 Y 8.54 4.29 0.00 3.24 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 26 F 8.49 3.91 0.00 3.45 3.14 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 0.00 0.00 0.00 0.00 27 L 8.26 3.94 0.00 1.94 1.58 0.88 0.87 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 28 H 8.28 3.81 0.00 3.43 3.22 0.00 5.70 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 8.10 4.16 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 7.61 3.94 0.00 1.72 1.85 0.00 3.19 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.55 0.00 31 M 7.50 3.42 0.00 0.94 1.57 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 2.42 2.16 0.00 32 F 7.43 4.59 0.00 3.33 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 33 K 8.17 3.95 0.00 1.94 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.70 4.28 0.00 2.72 2.68 0.00 0.00 7.32 8.10 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 35 W 7.83 4.76 0.00 3.74 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.34 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 37 L 7.93 4.70 0.00 2.15 1.65 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.81 0.00 2.02 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.33 3.99 0.00 2.08 1.99 0.00 3.49 0.00 0.00 3.23 7.60 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 7.87 4.13 0.00 1.72 1.08 1.09 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 4.55 0.00 3.15 3.01 0.00 0.00 7.22 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.06 4.37 0.00 2.72 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 43 V 7.62 3.36 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 -0.64 0.00 0.00 0.68 0.00 0.00 44 E 8.39 3.84 0.00 2.55 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 2.80 2.77 0.00 45 Y 8.45 3.98 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.29 3.97 0.00 3.26 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 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 3.54 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 1.95 2.09 0.00 48 S 7.62 4.05 0.00 3.93 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 49 I 7.18 3.51 1.71 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.68 0.78 0.00 0.00 50 D 7.69 4.18 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.99 0.00 2.28 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 2.54 2.60 0.00 52 M 7.94 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 7.96 3.95 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.26 4.08 0.00 3.52 3.43 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 4.22 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 8.47 4.30 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.99 3.86 0.00 1.81 1.76 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 58 Y 7.68 4.34 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 8.15 3.77 2.04 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 0.84 0.95 0.00 0.00 60 E 8.36 4.05 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 61 R 8.11 4.04 0.00 2.11 2.23 0.00 3.37 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 1.75 1.86 0.00 62 I 8.42 3.77 2.07 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 1.59 0.87 0.96 0.00 0.00 63 L 8.17 4.02 0.00 2.10 1.79 0.95 0.89 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 8.15 4.36 0.00 3.02 3.35 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 65 L 8.16 4.34 0.00 1.81 1.62 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.86 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 67 G 8.15 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 8.02 4.53 0.00 1.62 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.65 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 9.59 4.75 0.00 2.59 2.81 0.00 0.00 7.10 8.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 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 8.57 4.09 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.04 4.66 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.61 0.00 1.52 1.50 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.49 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 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.41 4.08 0.00 1.64 1.56 0.96 0.98 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 78 N 8.83 4.78 0.00 2.63 2.71 0.00 0.00 7.17 7.99 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 79 I 8.18 4.35 1.88 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 1.32 0.53 0.93 0.00 0.00 80 G 8.61 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.80 4.67 0.00 2.01 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 2.30 2.33 0.00 82 D 7.66 4.96 0.00 2.77 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 83 V 8.55 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 1.10 0.00 0.00 1.26 0.00 0.00 84 E 8.22 3.81 0.00 2.02 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 2.33 2.27 0.00 85 E 8.54 3.98 0.00 2.24 2.16 0.00 0.00 0.00 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 8.52 4.08 0.00 2.18 1.74 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 2.79 2.96 0.00 87 L 8.57 4.12 0.00 1.99 1.77 1.27 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.64 3.90 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.29 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 8.17 4.22 0.00 3.06 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 91 L 8.19 3.99 0.00 1.81 1.86 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.97 3.99 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 7.86 3.94 0.00 1.87 1.82 0.91 0.68 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 8.58 4.06 0.00 2.27 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 2.63 2.73 0.00 95 L 8.17 4.03 0.00 2.02 1.75 0.96 1.34 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 96 D 8.35 4.49 0.00 2.92 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 3.69 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 0.00 0.00 0.00 98 A 8.44 4.05 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 8.10 3.83 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.11 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.58 0.00 0.00 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 8.08 3.98 0.00 1.99 1.73 1.02 0.81 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 8.11 3.89 0.00 1.98 1.99 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 1.96 0.00 103 E 8.06 3.85 0.00 2.09 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 2.36 2.39 0.00 104 A 7.76 2.83 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 7.95 3.74 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 0.85 0.91 0.00 0.00 106 G 7.63 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.94 4.06 0.00 3.18 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 0.00 108 A 8.37 3.82 1.33 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 0.00 0.00 109 D 7.91 4.06 0.00 2.75 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 7.45 4.17 0.00 3.95 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 6.78 3.92 1.94 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 0.54 0.00 0.00 0.62 0.00 0.00 112 H 6.90 2.96 0.00 3.21 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.32 4.53 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 7.39 4.31 0.00 3.12 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 0.00 115 V 7.87 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 1.10 0.00 0.00 0.97 0.00 0.00 116 S 8.25 4.16 0.00 4.20 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 3.88 0.00 1.89 2.16 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 118 D 8.33 4.29 0.00 2.94 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 8.35 3.97 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 120 M 8.30 4.15 0.00 2.14 2.24 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 2.93 2.79 0.00 121 I 8.11 3.75 2.01 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 1.05 0.92 0.00 0.00 122 E 8.09 3.96 0.00 2.17 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 2.32 2.34 0.00 123 I 7.63 3.57 1.94 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 1.10 0.84 0.69 0.00 0.00 124 L 8.20 3.97 0.00 1.84 1.83 0.94 0.78 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 8.10 3.90 0.00 2.06 2.13 0.00 3.15 0.00 0.00 3.17 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 7.95 4.35 0.00 3.04 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 8.17 3.91 0.00 2.17 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 2.57 2.52 0.00 128 E 8.60 4.11 0.00 2.30 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 2.43 0.00 129 G 7.90 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 0.00 130 H 8.12 4.43 0.00 3.63 3.61 0.00 5.65 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 3.82 2.12 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 0.87 0.97 0.00 0.00 132 D 8.43 4.38 0.00 2.94 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 0.00 133 W 8.54 4.12 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.26 3.69 0.00 2.01 1.75 1.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.90 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 2.33 2.51 0.00 136 T 7.79 3.81 4.21 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 1.18 0.00 0.00 137 E 7.73 3.77 0.00 1.51 1.68 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 1.47 1.47 0.00 138 L 7.80 3.76 0.00 1.76 1.61 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.10 4.32 0.00 2.77 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 0.00 140 L 8.01 3.98 0.00 1.90 1.84 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.51 3.38 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.69 0.00 0.00 142 Q 7.41 3.93 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.05 4.13 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.65 7.81 144 M 8.31 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.54 4.07 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 0.00 0.00 0.00 146 L 8.34 3.99 0.00 1.74 1.66 0.95 0.68 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 8.02 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.13 4.35 0.00 2.96 2.89 0.00 0.00 6.68 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 7.85 4.00 0.00 3.06 3.21 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 0.00 150 L 8.35 4.08 0.00 2.07 1.70 1.06 1.00 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 8.21 3.90 0.00 2.10 2.22 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 7.75 4.15 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 7.84 4.34 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 154 I 7.45 3.94 2.01 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 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.59 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.63 4.06 0.00 2.13 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 2.26 2.28 0.00 157 E 8.60 3.95 0.00 1.95 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 2.29 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.