NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2339 8.1476 120.2503 54.6474 32.7198 174.6239 2 K 4.3617 8.3329 126.5839 56.6240 33.1527 176.4527 3 G 3.8512 8.6841 111.3429 45.1375 0.0000 167.5775 4 D 4.3955 8.5650 131.0699 54.1446 41.1630 174.4347 5 T 3.8304 8.5960 123.8048 66.7818 68.5480 176.1534 6 K 3.7142 8.1898 120.8117 59.5333 32.0476 178.7256 7 V 3.8916 8.1277 117.9409 66.2798 31.6451 178.1865 8 I 3.7923 7.7926 119.2552 64.0113 36.8166 178.2726 9 N 4.2955 8.1153 117.8595 56.2940 38.3360 176.9969 10 Y 4.0742 7.9032 118.0862 61.0484 37.9411 178.5930 11 L 3.8613 8.2345 120.0022 58.0371 41.7766 179.4797 12 N 4.2952 8.0748 116.0988 55.9316 38.4044 177.5298 13 K 3.9059 7.9537 121.2876 59.3619 32.2952 178.9553 14 L 4.0178 8.0419 119.6829 57.5546 41.3859 179.1873 15 L 3.9672 7.6659 120.4743 58.0172 42.1338 179.2498 16 G 3.5869 7.9472 105.5964 47.8919 0.0000 175.2159 17 N 4.3513 8.0326 118.9965 56.1682 38.5245 177.3237 18 E 4.0603 8.1196 119.7414 59.4853 29.4461 179.2667 19 L 4.0225 8.1510 119.3519 57.9236 41.6262 180.1045 20 V 3.6202 7.8113 118.4151 64.6734 31.3744 178.3552 21 A 3.8560 7.8988 121.7450 54.7164 18.2286 179.6317 22 I 3.8412 8.0706 111.8383 64.2986 37.7358 178.3415 23 N 4.3725 7.9390 118.3487 56.0766 38.4312 177.2709 24 Q 3.8814 8.2696 121.1042 59.3772 29.1483 177.7987 25 Y 4.4358 8.0798 117.8881 60.9820 37.9257 178.1409 26 F 3.9917 8.5905 121.8699 60.9407 39.4601 177.1744 27 L 3.9866 8.0512 119.8848 58.3786 41.8673 178.4984 28 H 3.8047 8.2553 115.9407 58.7024 28.5754 177.2705 29 A 4.1685 8.0213 122.3649 55.7224 18.2137 180.0878 30 R 3.7654 7.6836 115.6934 59.0653 30.0968 179.3828 31 M 3.4476 7.6848 119.1100 57.9197 31.8231 178.6186 32 F 4.3738 7.4971 117.9122 60.4663 39.1894 177.2578 33 K 3.7948 8.2709 119.5758 59.9160 31.6904 177.7967 34 N 4.2582 7.6566 115.4068 56.7574 38.8412 176.1590 35 W 4.7944 7.6962 117.5344 57.6604 29.2591 177.2345 36 G 4.0743 8.8983 108.5580 45.4396 0.0000 173.6745 37 L 4.6384 7.9095 121.9173 52.9093 39.4482 177.0350 38 K 3.9362 8.1182 122.6778 59.3373 32.4843 178.3383 39 R 3.8581 8.2892 119.1673 59.4911 30.0148 178.6458 40 L 4.0513 7.7564 118.3333 57.4909 41.6011 178.8490 41 N 4.4504 8.1819 116.9855 56.8013 38.8326 176.5909 42 D 4.3524 8.2243 120.4476 57.4085 41.0493 179.1425 43 V 3.3212 7.6297 118.3557 66.0935 31.4326 177.8886 44 E 3.7979 8.1114 118.2611 59.4239 29.3892 178.9643 45 Y 3.8538 8.0972 119.5910 61.0189 38.9356 177.6371 46 H 4.0596 7.9319 119.0965 59.0352 29.7931 177.0809 47 E 3.6831 7.5982 120.2906 58.9632 29.0436 179.1187 48 S 4.0933 7.4025 113.2847 61.4471 62.4881 176.3371 49 I 3.6171 7.2278 122.1178 64.1290 36.6461 178.1950 50 D 4.1453 7.8375 119.7984 57.4487 40.6205 178.5279 51 E 4.0242 8.2594 119.1602 59.8597 29.3271 179.3645 52 M 4.0431 8.1701 118.5871 58.4471 31.9870 178.9494 53 K 4.0470 7.9232 118.3999 59.2449 32.2676 179.1496 54 H 4.1309 8.3504 116.7563 58.7907 28.6363 177.4541 55 A 4.2281 8.2852 122.6556 55.5146 18.2534 179.1580 56 D 4.3034 7.9366 116.3429 57.4283 41.1779 178.6866 57 R 3.8382 7.7574 118.2116 59.4230 30.0426 178.6259 58 Y 4.2684 7.5322 115.8593 61.2529 38.0130 178.4701 59 I 3.7994 8.0627 120.7820 64.7416 37.2209 178.3812 60 E 4.0699 8.2670 119.2204 59.1635 29.3202 179.3669 61 R 4.0023 8.1156 118.8771 59.5605 30.2290 178.5953 62 I 3.8004 8.3161 120.0612 64.5173 36.9705 178.4735 63 L 4.1131 8.0039 119.6230 57.5329 41.1833 179.3722 64 F 4.2850 8.1145 119.8321 61.3584 39.8060 176.9159 65 L 4.5675 7.9356 118.1498 54.5678 41.5063 176.6004 66 E 3.4993 7.8667 117.3271 57.8414 26.6388 173.4385 67 G 4.1438 8.3752 107.0474 43.4803 0.0000 172.2349 68 L 4.6284 8.0717 120.2596 52.1097 43.6039 174.3176 69 P 4.3958 0.0000 0.0000 62.7870 31.8192 175.6959 70 N 4.7213 9.2727 121.5127 52.4918 38.6480 173.9951 71 L 4.6899 8.3698 124.7503 54.5530 42.3952 177.3415 72 Q 4.2230 8.3724 122.2533 57.3399 29.7302 175.6703 73 D 4.6706 8.1000 117.7386 52.8937 41.7161 175.2174 74 L 4.6103 8.3536 126.0071 53.0874 44.1164 176.1822 75 G 3.9683 8.2043 113.7521 43.9727 0.0000 172.7906 76 K 4.1429 8.3395 118.8679 55.9040 32.5240 176.7248 77 L 4.3621 8.3923 124.0322 53.2974 42.7362 175.8247 78 N 4.7044 8.3899 122.7771 51.7534 38.1441 174.3748 79 I 3.7960 7.7453 126.0538 61.9579 37.9061 177.3188 80 G 4.2907 8.2229 108.1921 45.7647 0.0000 172.8331 81 E 4.7172 8.7824 119.9203 55.9478 30.8600 176.3591 82 D 4.9829 7.7980 118.9812 50.4334 43.8192 176.2960 83 V 4.0690 8.6390 121.6140 65.6770 31.0214 178.2074 84 E 3.8653 8.2274 119.3041 58.6992 29.5444 178.3438 85 E 3.9706 8.5139 119.4312 59.4598 29.7964 178.4942 86 M 4.2205 8.4787 119.1424 58.6755 32.0726 178.8037 87 L 4.2123 8.4262 119.2452 58.0163 41.7821 179.9073 88 R 4.0241 7.9056 118.0674 59.0234 29.9468 179.3431 89 S 4.1275 8.0536 114.7273 61.7706 62.9160 176.1766 90 D 4.2618 8.0957 121.5489 57.3913 40.5643 178.9327 91 L 3.9833 7.9992 120.3805 58.1214 42.1869 178.7903 92 A 3.9998 8.0977 120.7638 55.0307 18.3018 179.3636 93 L 3.8851 8.0083 118.7349 58.4217 42.2302 178.9956 94 E 4.0614 8.1467 118.4701 59.4511 29.4234 179.4610 95 L 4.0387 8.1399 118.9651 57.8653 41.6194 179.2602 96 D 4.4716 8.2925 118.9484 57.3150 40.7587 179.0805 97 G 3.6271 8.1856 105.9498 47.8383 0.0000 175.4148 98 A 4.0356 8.1468 123.4413 54.7708 18.0317 179.5884 99 K 3.8923 7.9443 117.5446 59.8594 32.2746 178.8585 100 N 4.4028 7.9759 116.4721 56.1103 38.3543 177.3592 101 L 3.9881 8.0171 120.5384 58.0245 41.8397 179.8445 102 R 3.8901 8.0502 117.8853 59.0322 29.8144 178.7810 103 E 3.8369 7.8967 118.6880 59.2553 29.7085 178.8125 104 A 2.8841 7.6220 120.7524 54.8171 17.8294 179.7084 105 I 3.7826 8.0015 118.7440 64.3625 37.0603 178.9537 106 G 3.6028 7.9383 106.2680 47.8047 0.0000 175.2613 107 Y 3.9322 7.7623 121.8858 60.3799 38.7826 177.6779 108 A 3.8821 7.9577 121.7101 55.1222 18.3282 179.1346 109 D 4.1436 7.6944 115.5635 57.6103 41.1368 178.4265 110 S 3.9652 7.3308 114.2188 61.4532 62.9697 176.5209 111 V 3.6512 6.9726 118.0905 61.6532 31.5637 176.3395 112 H 2.9853 7.2739 115.6631 56.7974 26.7827 176.1084 113 D 4.4920 7.5631 122.1215 53.4441 38.6292 176.1001 114 Y 4.3605 7.4928 121.8688 60.3567 38.3858 177.4705 115 V 3.7166 7.8728 119.0432 65.8449 31.8217 178.1711 116 S 4.2372 8.3348 115.0718 61.4122 62.8374 176.7192 117 R 4.0699 8.1173 118.6842 58.7506 29.0906 178.5686 118 D 4.2664 8.2131 119.3383 57.5249 41.3128 177.6043 119 M 3.9905 7.9470 118.6764 59.1360 32.1220 178.0944 120 M 4.1289 8.0123 118.4067 58.5316 32.1062 178.8831 121 I 3.7522 7.7612 119.4459 63.9984 37.0535 178.4595 122 E 3.9233 7.9331 119.8847 59.5904 29.3901 179.3984 123 I 3.6161 7.6618 119.8305 64.1944 37.0755 178.3383 124 L 4.0009 8.2758 121.6281 58.0071 41.6836 178.9508 125 R 3.9240 7.8334 118.0524 59.3368 30.2304 178.0639 126 D 4.4513 7.8029 118.9915 57.2693 40.8139 178.4153 127 E 3.9347 8.1990 119.0299 59.6178 29.4946 179.3535 128 E 4.2124 8.4669 118.1320 58.7899 29.2641 179.4326 129 G 3.7350 7.9673 106.1564 47.5670 0.0000 175.7921 130 H 4.5729 7.9965 118.0377 58.8653 28.8369 177.7193 131 I 3.8523 8.3511 122.1673 64.4232 36.9373 178.0214 132 D 4.3649 8.1179 118.6543 57.0219 41.0819 178.0996 133 W 4.1683 8.1811 128.9148 60.4247 30.7103 177.9883 134 L 3.6337 8.1471 118.7789 57.7608 40.9788 179.2641 135 E 3.9158 8.1640 118.4653 59.7716 29.5343 179.6435 136 T 3.8284 7.8928 115.5666 66.5358 68.4417 176.5173 137 E 3.7986 7.7629 120.3853 59.4969 29.4081 179.5343 138 L 3.8216 7.7854 118.7162 57.7092 41.5788 179.3000 139 D 4.4415 7.7618 119.0086 56.8609 40.8068 178.7322 140 L 4.0456 7.7028 119.3217 57.8143 41.6107 179.5680 141 I 3.4960 7.1846 119.4292 64.1353 36.6908 178.3038 142 Q 3.8683 7.2139 118.0655 59.1265 28.9915 178.1080 143 K 4.1579 8.2502 118.8498 58.7881 32.3898 178.3761 144 M 4.3983 8.5479 114.9501 54.1858 32.5208 177.2938 145 G 4.0528 7.5104 105.5762 45.6223 0.0000 174.3958 146 L 4.0267 8.3523 120.6064 58.1363 42.1302 179.3596 147 Q 4.1004 8.0230 117.6258 58.9949 28.7441 178.2882 148 N 4.3853 8.1123 117.1625 56.2822 38.4818 176.6854 149 Y 3.9718 7.7695 119.8030 60.6486 39.1915 177.8848 150 L 4.1083 8.5699 120.2824 57.9174 41.9316 179.3098 151 Q 3.9885 8.2536 119.2161 58.8626 28.7476 177.3640 152 A 4.2201 7.6749 118.9143 53.0273 18.6095 178.0354 153 Q 4.4116 7.7200 116.6002 55.5819 30.1207 177.0741 154 I 4.1683 7.0652 110.9472 61.7005 37.7763 176.2370 155 R 4.6316 7.4350 119.9488 54.2763 33.7852 174.6101 156 E 4.1439 8.5923 120.3966 55.8426 30.6575 177.2368 157 E 4.0897 8.2977 121.4719 55.5568 31.5096 176.8410 *158 G 3.7265 8.6142 107.8182 46.0885 0.0000 172.6667 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 8.15 4.23 0.00 1.24 1.76 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 2 K 8.33 4.36 0.00 1.92 1.88 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.46 7.81 3 G 8.68 3.85 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 0.00 0.00 0.00 4 D 8.57 4.40 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.60 3.83 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 1.24 0.00 0.00 6 K 8.19 3.71 0.00 1.98 1.73 0.00 0.92 0.00 0.00 1.17 0.00 0.00 2.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.14 7.81 7 V 8.13 3.89 2.35 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 1.22 0.00 0.00 1.24 0.00 0.00 8 I 7.79 3.79 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 1.56 1.16 0.92 0.00 0.00 9 N 8.12 4.30 0.00 2.77 2.61 0.00 0.00 6.85 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.90 4.07 0.00 3.19 2.92 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 11 L 8.23 3.86 0.00 2.05 1.75 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.07 4.30 0.00 2.89 2.81 0.00 0.00 6.69 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 13 K 7.95 3.91 0.00 1.78 2.02 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 L 8.04 4.02 0.00 1.55 0.86 1.01 0.64 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 15 L 7.67 3.97 0.00 1.70 1.76 1.09 0.91 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 16 G 7.95 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 17 N 8.03 4.35 0.00 3.03 2.91 0.00 0.00 7.06 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 8.12 4.06 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.85 0.00 19 L 8.15 4.02 0.00 1.85 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.81 3.62 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 0.85 0.00 0.00 0.90 0.00 0.00 21 A 7.90 3.86 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 22 I 8.07 3.84 1.92 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 1.53 1.00 1.00 0.00 0.00 23 N 7.94 4.37 0.00 2.96 2.91 0.00 0.00 6.68 7.19 0.00 0.00 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 8.27 3.88 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 25 Y 8.08 4.44 0.00 3.26 2.99 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 26 F 8.59 3.99 0.00 3.35 3.11 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 27 L 8.05 3.99 0.00 1.88 1.63 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.26 3.80 0.00 3.60 3.28 0.00 5.89 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 8.02 4.17 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 30 R 7.68 3.77 0.00 1.75 1.89 0.00 3.17 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.74 0.00 31 M 7.68 3.45 0.00 0.85 1.51 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.22 0.00 32 F 7.50 4.37 0.00 3.25 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.27 3.79 0.00 2.09 1.91 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 N 7.66 4.26 0.00 2.70 2.64 0.00 0.00 7.38 8.11 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 35 W 7.70 4.79 0.00 3.77 3.16 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 0.00 0.00 0.00 36 G 8.90 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 37 L 7.91 4.64 0.00 2.14 1.66 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.12 3.94 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.51 7.81 39 R 8.29 3.86 0.00 2.02 2.07 0.00 3.06 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 40 L 7.76 4.05 0.00 1.50 0.90 1.03 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.45 0.00 3.16 3.07 0.00 0.00 7.17 8.35 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 42 D 8.22 4.35 0.00 2.92 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 43 V 7.63 3.32 1.70 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 -0.69 0.00 0.00 0.77 0.00 0.00 44 E 8.11 3.80 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.15 0.00 45 Y 8.10 3.85 0.00 3.01 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 46 H 7.93 4.06 0.00 3.20 3.16 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 7.60 3.68 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 1.82 1.78 0.00 48 S 7.40 4.09 0.00 4.00 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 49 I 7.23 3.62 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 0.85 0.00 0.00 50 D 7.84 4.15 0.00 2.71 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 51 E 8.26 4.02 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.82 0.00 52 M 8.17 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 53 K 7.92 4.05 0.00 1.92 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.61 7.81 54 H 8.35 4.13 0.00 3.46 3.47 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 8.29 4.23 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 56 D 7.94 4.30 0.00 2.75 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 57 R 7.76 3.84 0.00 2.00 1.64 0.00 3.12 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 1.54 1.60 0.00 58 Y 7.53 4.27 0.00 3.23 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 8.06 3.80 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.95 0.00 0.00 60 E 8.27 4.07 0.00 2.18 2.01 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 2.35 2.70 0.00 61 R 8.12 4.00 0.00 2.13 2.22 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 1.75 1.85 0.00 62 I 8.32 3.80 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 1.59 0.71 0.99 0.00 0.00 63 L 8.00 4.11 0.00 2.12 1.79 0.98 1.01 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 64 F 8.11 4.29 0.00 2.99 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.57 0.00 1.99 1.68 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.87 3.50 0.00 2.01 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 2.13 2.23 0.00 67 G 8.38 4.14 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 0.00 0.00 0.00 68 L 8.07 4.63 0.00 1.57 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.10 2.01 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.27 4.72 0.00 2.59 2.79 0.00 0.00 7.02 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 71 L 8.37 4.69 0.00 1.64 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.37 4.22 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 73 D 8.10 4.67 0.00 2.68 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 8.35 4.61 0.00 1.57 1.51 0.91 1.07 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 75 G 8.20 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 76 K 8.34 4.14 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 77 L 8.39 4.36 0.00 1.61 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.39 4.70 0.00 2.64 2.74 0.00 0.00 7.22 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 79 I 7.75 3.80 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.95 0.00 0.00 80 G 8.22 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.78 4.72 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 82 D 7.80 4.98 0.00 2.87 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 83 V 8.64 4.07 2.76 0.00 0.00 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 1.11 0.00 0.00 84 E 8.23 3.87 0.00 2.00 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 2.25 2.22 0.00 85 E 8.51 3.97 0.00 2.47 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 2.34 2.37 0.00 86 M 8.48 4.22 0.00 1.80 2.42 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.42 0.00 87 L 8.43 4.21 0.00 1.87 1.74 1.18 0.92 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 88 R 7.91 4.02 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 89 S 8.05 4.13 0.00 4.16 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.10 4.26 0.00 3.09 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 91 L 8.00 3.98 0.00 1.93 1.87 0.98 1.03 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 92 A 8.10 4.00 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 93 L 8.01 3.89 0.00 1.87 1.80 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.15 4.06 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 95 L 8.14 4.04 0.00 2.06 1.73 0.96 0.96 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 96 D 8.29 4.47 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 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 98 A 8.15 4.04 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 7.94 3.89 0.00 1.98 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 N 7.98 4.40 0.00 2.94 2.89 0.00 0.00 7.05 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.02 3.99 0.00 1.91 1.73 0.96 0.85 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 8.05 3.89 0.00 1.86 1.97 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 103 E 7.90 3.84 0.00 2.02 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 2.28 2.36 0.00 104 A 7.62 2.88 1.13 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 0.00 0.00 105 I 8.00 3.78 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 1.47 1.14 0.92 0.00 0.00 106 G 7.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.76 3.93 0.00 3.04 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 0.00 108 A 7.96 3.88 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 0.00 109 D 7.69 4.14 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.33 3.97 0.00 3.54 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.97 3.65 1.82 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 0.62 0.00 0.00 0.82 0.00 0.00 112 H 7.27 2.99 0.00 3.14 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.56 4.49 0.00 2.60 2.48 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 0.00 114 Y 7.49 4.36 0.00 3.09 2.92 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 0.00 115 V 7.87 3.72 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.33 4.24 0.00 4.10 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 0.00 117 R 8.12 4.07 0.00 2.14 2.33 0.00 2.91 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 118 D 8.21 4.27 0.00 3.00 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 0.00 119 M 7.95 3.99 0.00 2.29 2.03 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 2.48 2.49 0.00 120 M 8.01 4.13 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.81 0.00 121 I 7.76 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 0.83 0.92 0.00 0.00 122 E 7.93 3.92 0.00 2.21 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 2.54 0.00 123 I 7.66 3.62 1.93 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.74 0.00 0.00 124 L 8.28 4.00 0.00 1.85 1.82 0.94 1.14 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 0.00 125 R 7.83 3.92 0.00 2.04 2.12 0.00 3.32 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 126 D 7.80 4.45 0.00 2.97 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 0.00 127 E 8.20 3.93 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 128 E 8.47 4.21 0.00 2.26 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 2.36 2.48 0.00 129 G 7.97 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 0.00 130 H 8.00 4.57 0.00 3.65 3.63 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.35 3.85 2.09 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 1.50 0.83 0.97 0.00 0.00 132 D 8.12 4.36 0.00 2.96 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 0.00 133 W 8.18 4.17 0.00 3.44 3.44 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 0.00 134 L 8.15 3.63 0.00 1.86 1.73 1.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.16 3.92 0.00 2.17 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 2.65 0.00 136 T 7.89 3.83 4.27 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 1.19 0.00 0.00 137 E 7.76 3.80 0.00 1.57 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 7.79 3.82 0.00 1.66 1.62 0.88 0.85 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 0.00 139 D 7.76 4.44 0.00 2.83 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 7.70 4.05 0.00 2.08 1.85 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.18 3.50 1.54 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.67 0.00 0.00 142 Q 7.21 3.87 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.25 4.16 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 144 M 8.55 4.40 0.00 2.15 2.21 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 2.64 2.94 0.00 145 G 7.51 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 0.00 0.00 0.00 146 L 8.35 4.03 0.00 1.74 1.67 0.94 0.70 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 0.00 147 Q 8.02 4.10 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 148 N 8.11 4.39 0.00 2.95 2.89 0.00 0.00 6.77 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 7.77 3.97 0.00 3.10 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 8.57 4.11 0.00 2.01 1.71 1.14 0.76 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 0.00 151 Q 8.25 3.99 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.67 4.22 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 7.72 4.41 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 154 I 7.07 4.17 1.88 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 1.21 0.97 0.00 0.00 155 R 7.43 4.63 0.00 1.73 1.79 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 156 E 8.59 4.14 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 157 E 8.30 4.09 0.00 1.95 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 0.00 2.29 2.26 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.