NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1512 8.1627 120.2766 54.7738 33.2378 173.9096 2 K 3.9672 8.4685 128.1592 55.9753 32.6165 175.1535 3 G 3.9800 8.7198 116.1035 44.9846 0.0000 171.5820 4 D 4.5637 8.4813 119.6345 54.3484 41.8206 176.9850 5 T 3.8651 8.9203 122.9776 66.9008 68.4989 176.5485 6 K 3.7954 8.1553 120.8801 59.1733 32.2615 178.8092 7 V 3.8907 8.6783 119.0660 66.1965 31.3707 178.0669 8 I 3.7707 7.7921 119.3436 64.4579 36.8531 178.0325 9 N 4.2239 8.3528 117.4952 56.5523 38.3547 177.0525 10 Y 4.0828 8.0708 117.9901 61.0925 38.0038 178.4171 11 L 3.8256 8.4784 120.2420 58.1175 41.6805 179.5344 12 N 4.3778 8.4544 116.5053 55.9302 38.4109 177.5119 13 K 3.8765 8.1887 121.4108 59.4040 32.3319 178.8492 14 L 3.8441 8.1614 119.6473 57.6547 41.3824 179.0577 15 L 4.0808 7.8608 120.7119 58.3008 41.9481 179.2696 16 G 3.6210 8.2640 105.7668 47.8764 0.0000 175.3910 17 N 4.3585 8.0657 118.8014 56.2715 38.4912 177.4596 18 E 4.1536 8.4607 120.2527 59.1969 29.1763 179.3135 19 L 4.2213 8.4167 120.4555 58.3147 40.5079 179.7817 20 V 3.6337 7.8471 120.2562 64.6418 31.4003 178.1050 21 A 3.8037 8.0761 121.6350 54.7794 18.1937 179.3183 22 I 3.7396 8.2950 118.6021 65.0160 37.2468 178.3990 23 N 4.3975 7.8226 115.6004 56.3396 38.3507 177.4308 24 Q 3.8325 8.3384 121.2752 59.3326 29.0931 177.8200 25 Y 4.3722 8.4790 118.1844 60.9692 37.9092 178.3081 26 F 3.8028 8.4380 121.6457 61.1036 39.5243 176.8541 27 L 3.9678 8.1967 119.9871 58.4945 41.8127 178.4728 28 H 3.7909 8.2434 115.8381 58.7764 28.6413 177.1719 29 A 4.1622 8.2806 122.7968 55.7857 18.1067 179.9438 30 R 3.8464 7.8241 115.3105 58.6051 30.0450 179.2972 31 M 3.4234 7.7653 119.2729 58.1653 31.8383 178.3388 32 F 4.5814 7.5187 118.2054 60.7308 39.1337 177.7503 33 K 3.9369 8.2360 119.0379 59.5050 31.8009 178.2084 34 N 4.2739 7.9818 116.2572 56.6114 38.9821 176.4000 35 W 4.7491 8.0066 117.7561 57.6826 29.5434 177.2526 36 G 3.9902 8.4220 108.2323 45.9307 0.0000 174.1396 37 L 4.6404 8.1568 121.7687 52.9263 38.3279 177.2490 38 K 3.8166 7.9469 122.7158 60.0492 32.5068 177.3282 39 R 3.9496 8.1793 118.6007 59.2039 30.0667 178.4410 40 L 4.1069 7.7654 118.4231 57.3777 41.5576 178.8027 41 N 4.5420 8.1693 116.9893 56.7597 38.9441 176.5441 42 D 4.3082 8.1597 120.3046 57.4473 40.9743 179.1557 43 V 3.3366 7.6817 118.4104 66.1153 31.4516 178.0184 44 E 3.7934 8.2329 118.2771 59.1329 29.2394 178.6886 45 Y 3.8597 8.1226 119.8497 61.1397 38.9751 178.0888 46 H 4.1399 8.1445 116.6786 58.5184 28.6923 177.6159 47 E 3.6433 7.7270 120.7737 58.6690 29.1588 178.8234 48 S 4.1552 7.8954 113.5031 61.6432 62.4535 176.3438 49 I 3.5673 7.3491 122.2729 64.2183 36.8433 177.8416 50 D 4.1824 7.7317 118.6732 57.5689 41.0342 178.3854 51 E 4.2839 8.1245 120.0866 58.8718 29.2950 179.3064 52 M 4.0530 8.0539 119.1271 58.2985 32.0112 178.7097 53 K 3.8818 7.9794 118.6060 59.8027 32.1720 179.1203 54 H 4.0718 8.0522 115.8840 58.7079 28.5989 177.5610 55 A 4.2101 8.2399 122.7247 55.3227 18.1488 178.9175 56 D 4.3099 8.3033 116.6237 57.8404 41.2738 178.9031 57 R 3.8639 7.9013 118.2578 59.3656 30.0034 178.6546 58 Y 4.3631 7.8337 116.5036 61.2492 37.9129 178.7604 59 I 3.7827 8.2783 121.0364 64.6404 37.2721 178.4680 60 E 4.0796 8.5223 119.5341 59.1228 29.1309 179.5014 61 R 4.0672 8.0104 118.9111 59.4852 30.2827 178.3255 62 I 3.7648 8.4669 119.9647 64.6364 37.1193 178.4277 63 L 4.0680 8.0993 119.6482 57.7077 41.2468 179.2870 64 F 4.3727 8.1442 119.6429 61.2199 39.6707 176.4399 65 L 4.3275 8.2053 117.8063 53.8423 41.1955 177.1321 66 E 3.9025 7.9803 117.5895 57.4316 27.0907 174.5133 67 G 3.9395 8.3085 108.5138 44.0681 0.0000 173.7268 68 L 4.5281 8.0092 119.0587 52.0217 41.9974 175.1579 69 P 4.4096 0.0000 0.0000 62.5030 31.7958 176.0641 70 N 4.7163 9.3856 122.0850 52.4212 38.7253 173.9445 71 L 4.6172 8.3180 124.1458 54.5561 42.4855 177.5192 72 Q 4.1301 8.4706 121.7929 58.2724 29.3529 175.9601 73 D 4.6503 8.0441 116.7955 53.0533 41.8532 175.3345 74 L 4.5809 8.2799 125.1564 52.7444 44.1659 176.3308 75 G 3.7988 8.5081 115.1619 44.5912 0.0000 172.1812 76 K 4.0161 8.3138 120.6629 56.0798 32.3040 176.3875 77 L 4.1339 8.3300 126.7454 54.4179 42.3257 176.2136 78 N 4.8214 8.8656 120.5237 52.0498 40.4207 174.2635 79 I 3.8800 8.5582 126.7332 64.0810 37.7616 178.1373 80 G 4.1644 8.2905 102.2013 45.9112 0.0000 172.5787 81 E 4.7515 8.6996 116.3997 55.6879 31.8142 176.1982 82 D 5.0463 7.7230 117.6731 50.3433 44.0500 176.1454 83 V 4.0281 8.4908 118.6148 66.6056 31.3574 177.2742 84 E 3.8343 8.2373 117.9740 59.5368 29.4587 178.1779 85 E 4.0021 8.6460 119.3028 59.6562 29.6877 178.7344 86 M 4.2558 8.4662 117.2382 58.1919 31.4300 178.6102 87 L 4.1648 8.6963 120.4684 57.6902 41.7725 179.4050 88 R 3.9231 8.6024 119.0799 59.3949 30.0219 178.5750 89 S 4.1171 8.1253 113.1662 61.3553 62.4068 175.8248 90 D 4.2606 8.1867 121.6223 57.1372 40.5293 178.4622 91 L 4.0196 8.2352 120.6459 58.2397 42.1235 178.8486 92 A 4.0084 8.2306 120.7901 55.0847 18.2747 179.4086 93 L 3.9029 7.9085 118.6759 58.3304 42.1491 179.0582 94 E 4.0718 8.3827 118.5680 59.4211 29.5500 179.2736 95 L 4.0435 8.1571 119.0533 58.0926 41.7205 179.4383 96 D 4.5245 8.4457 118.9569 57.2128 40.6412 179.0984 97 G 3.6387 8.3466 106.2461 47.5623 0.0000 175.6948 98 A 4.0227 8.5203 123.5919 54.6850 18.4876 179.5244 99 K 3.8419 7.9622 117.7575 59.9433 32.2525 178.6234 100 N 4.3835 8.1068 116.5555 56.4484 38.3779 177.4352 101 L 3.9749 8.2241 120.4115 57.8416 41.6324 179.6406 102 R 3.8885 8.3368 118.4362 59.2061 30.0897 178.8320 103 E 3.8330 8.0715 118.2939 59.2143 29.6469 178.5502 104 A 2.7406 7.8398 121.0505 54.8523 18.4417 179.6257 105 I 3.7050 7.9298 118.4927 64.5307 36.9691 178.9487 106 G 3.6025 7.5955 105.1109 47.8672 0.0000 174.8761 107 Y 4.1715 8.1378 122.7485 59.7070 38.8662 177.3959 108 A 3.8253 8.2594 122.1298 55.3023 18.5483 179.0879 109 D 4.1010 7.9022 116.2749 57.3375 41.4308 178.4620 110 S 4.1387 7.7246 114.2447 60.1607 62.9803 175.7231 111 V 4.0162 6.8380 113.6848 60.7100 31.5863 175.6336 112 H 2.7986 6.9598 113.7692 56.6691 27.0514 176.4502 113 D 4.5396 7.3615 121.1443 53.4551 37.6534 176.2724 114 Y 4.3462 7.4138 121.3648 60.6026 38.3829 178.3502 115 V 3.7363 7.8438 119.9766 64.8192 31.8272 178.3046 116 S 4.1691 8.4069 115.9808 61.3714 62.5924 176.7066 117 R 3.8888 8.1145 121.1521 59.4975 29.9309 178.0636 118 D 4.3102 8.2881 117.7797 57.5789 41.3759 177.7830 119 M 4.0144 8.3748 119.0138 59.0658 32.1590 178.1556 120 M 4.1811 8.2546 118.8439 58.3611 32.1004 178.8534 121 I 3.7304 8.1537 120.4575 64.3260 37.3027 178.2792 122 E 3.9775 8.0598 118.9990 59.4018 29.2924 179.4705 123 I 3.4914 7.5900 119.4869 64.2521 37.1507 178.1678 124 L 3.9728 8.1135 121.2952 58.1686 41.9582 178.9563 125 R 3.9352 8.0795 118.6336 59.6171 30.0066 178.3049 126 D 4.3621 7.9985 118.5771 57.1669 40.7527 178.6994 127 E 3.9191 8.1817 119.2672 59.3554 29.4680 178.6621 128 E 4.1230 8.7136 119.9666 59.3363 29.5588 179.1442 129 G 3.6657 7.9593 105.3246 48.2488 0.0000 175.3710 130 H 4.4489 8.0844 118.9572 58.5831 28.6754 177.8195 131 I 3.8141 8.4029 122.0661 64.5155 37.0040 177.7207 132 D 4.3768 8.4552 118.9256 57.2135 41.0042 178.2313 133 W 4.1203 8.3511 128.5896 60.4963 30.7567 177.7793 134 L 3.7951 8.5927 119.2685 57.9136 41.0962 179.3703 135 E 3.9184 8.3658 118.4259 59.7274 29.3139 179.6515 136 T 3.7697 7.8219 115.5503 66.5365 68.5339 176.4502 137 E 3.7302 7.6489 120.4171 59.5033 29.2461 179.4873 138 L 3.7858 7.7414 118.7577 57.9204 41.6121 179.4586 139 D 4.3914 8.1856 118.8548 57.1069 40.6303 178.7237 140 L 3.9856 8.0283 119.9702 57.7502 41.7169 179.4803 141 I 3.3877 7.4118 119.6919 64.4968 36.7408 178.5475 142 Q 3.9794 7.3547 116.2671 58.7554 28.5961 178.5376 143 K 4.1450 7.9843 119.0822 58.8051 32.3021 178.4093 144 M 4.3979 8.3647 114.7949 53.9962 32.4792 177.3241 145 G 4.0943 7.4923 104.9813 45.9306 0.0000 174.4339 146 L 3.9323 8.4118 121.1816 58.0447 42.1737 179.1999 147 Q 4.0021 8.0975 117.4479 59.4033 28.7981 178.7649 148 N 4.3788 8.1704 116.6556 56.3752 38.3409 176.7780 149 Y 3.9974 7.7659 120.3156 60.5552 39.1920 177.6589 150 L 4.0660 8.3064 120.2012 57.9292 41.6527 179.1894 151 Q 4.0008 8.1357 119.1894 59.1098 28.7221 177.7653 152 A 4.1716 7.5050 118.8073 53.3703 18.7804 178.1972 153 Q 4.2870 8.0165 116.3780 55.7506 29.2306 177.6170 154 I 4.0033 7.2990 120.9564 62.7347 37.4587 176.5273 155 R 4.6693 7.5574 118.0063 53.7871 32.2438 175.6028 156 E 4.1274 8.4656 119.8192 55.8764 30.5306 175.8753 157 E 4.0336 8.5497 122.4143 55.5259 30.3806 176.6285 *158 G 3.7326 8.6140 114.1981 45.8891 0.0000 172.1524 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 1.50 1.74 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 2.51 2.43 0.00 2 K 8.47 3.97 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 8.72 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 4.56 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 8.92 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.16 3.80 0.00 1.69 1.95 0.00 1.44 0.00 0.00 1.10 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 8.68 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 1.07 0.00 0.00 1.17 0.00 0.00 8 I 7.79 3.77 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 8.35 4.22 0.00 2.63 2.64 0.00 0.00 7.06 8.32 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 10 Y 8.07 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 8.48 3.83 0.00 1.99 1.75 1.07 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 8.45 4.38 0.00 2.88 2.82 0.00 0.00 6.69 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 13 K 8.19 3.88 0.00 1.74 1.96 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.16 3.84 0.00 0.92 1.25 0.89 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 7.86 4.08 0.00 1.72 1.85 1.08 1.13 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 8.26 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.07 4.36 0.00 3.00 2.92 0.00 0.00 7.04 7.75 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 18 E 8.46 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 8.42 4.22 0.00 1.87 1.96 0.95 1.09 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 3.63 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 0.88 0.00 0.00 0.90 0.00 0.00 21 A 8.08 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 8.30 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 0.75 0.91 0.00 0.00 23 N 7.82 4.40 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 8.34 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 2.23 2.12 0.00 25 Y 8.48 4.37 0.00 3.16 3.04 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 26 F 8.44 3.80 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 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.24 3.79 0.00 3.56 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.28 4.16 1.34 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 7.82 3.85 0.00 1.73 1.88 0.00 3.27 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 1.68 0.00 31 M 7.77 3.42 0.00 0.88 1.60 0.00 0.00 0.00 0.00 0.00 1.63 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 7.52 4.58 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 8.24 3.94 0.00 2.04 1.91 0.00 1.57 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 7.98 4.27 0.00 2.68 2.66 0.00 0.00 7.33 8.60 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 35 W 8.01 4.75 0.00 3.73 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.42 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 8.16 4.64 0.00 2.22 1.69 1.02 0.76 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 7.95 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 8.18 3.95 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 4.11 0.00 1.70 1.07 1.08 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.54 0.00 3.14 3.01 0.00 0.00 7.12 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 42 D 8.16 4.31 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.68 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 -0.50 0.00 0.00 0.72 0.00 0.00 44 E 8.23 3.79 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 3.01 0.00 45 Y 8.12 3.86 0.00 2.94 3.01 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 46 H 8.14 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 7.73 3.64 0.00 1.25 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 48 S 7.90 4.16 0.00 3.96 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 7.35 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 0.59 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 8.12 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 2.73 2.67 0.00 52 M 8.05 4.05 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 53 K 7.98 3.88 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.05 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 1.46 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 56 D 8.30 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 7.90 3.86 0.00 1.80 1.80 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 1.59 1.73 0.00 58 Y 7.83 4.36 0.00 3.22 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 59 I 8.28 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 0.80 0.95 0.00 0.00 60 E 8.52 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 8.47 3.76 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 0.63 0.97 0.00 0.00 63 L 8.10 4.07 0.00 2.11 1.79 0.95 1.04 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 8.14 4.37 0.00 2.98 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 8.21 4.33 0.00 1.84 1.63 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 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 8.31 3.94 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 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 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.39 4.72 0.00 2.59 2.78 0.00 0.00 7.08 7.79 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 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 8.47 4.13 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.75 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 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.51 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.55 0.95 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 7.20 7.31 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 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 0.92 0.00 0.00 80 G 8.29 4.16 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 0.00 0.00 0.00 81 E 8.70 4.75 0.00 2.00 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 2.26 2.30 0.00 82 D 7.72 5.05 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.49 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 1.02 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 8.65 4.00 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 86 M 8.47 4.26 0.00 2.29 1.77 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.06 0.00 87 L 8.70 4.16 0.00 2.03 1.78 1.30 0.70 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 3.92 0.00 2.09 1.95 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.13 4.12 0.00 4.06 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 4.26 0.00 3.14 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 8.24 4.02 0.00 1.83 1.90 0.98 0.86 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 8.23 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 7.91 3.90 0.00 1.91 1.81 0.91 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 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 2.62 2.72 0.00 95 L 8.16 4.04 0.00 2.05 1.75 0.96 1.00 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 8.45 4.52 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 8.52 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 7.96 3.84 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 8.11 4.38 0.00 3.00 2.91 0.00 0.00 7.13 6.76 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 0.00 101 L 8.22 3.97 0.00 1.97 1.73 0.98 1.29 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 8.34 3.89 0.00 1.96 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 8.07 3.83 0.00 2.08 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 2.38 2.38 0.00 104 A 7.84 2.74 1.02 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 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 7.60 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 8.14 4.17 0.00 3.19 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 8.26 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 7.90 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 7.72 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 4.02 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 0.56 0.00 0.00 0.66 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 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.36 4.54 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.41 4.35 0.00 3.11 2.94 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 0.00 0.00 0.00 115 V 7.84 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 1.06 0.00 0.00 0.97 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 8.11 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 1.69 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 8.37 4.01 0.00 2.24 2.04 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 2.50 2.49 0.00 120 M 8.25 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 8.15 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 0.93 0.92 0.00 0.00 122 E 8.06 3.98 0.00 1.96 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 3.49 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 1.00 0.80 0.79 0.00 0.00 124 L 8.11 3.97 0.00 1.84 1.85 0.99 0.89 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 8.08 3.94 0.00 2.01 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 2.94 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 8.18 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 8.71 4.12 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 3.67 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 0.00 0.00 0.00 130 H 8.08 4.45 0.00 3.54 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.40 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 0.84 0.97 0.00 0.00 132 D 8.46 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 8.35 4.12 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 3.80 0.00 1.97 1.77 1.38 1.33 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 8.37 3.92 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 136 T 7.82 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 7.65 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 8.19 4.39 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 3.99 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 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.41 3.39 1.69 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.10 0.70 0.00 0.00 142 Q 7.35 3.98 0.00 2.01 2.12 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 2.49 0.00 143 K 7.98 4.15 0.00 1.72 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.36 4.40 0.00 2.17 2.20 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 2.61 2.85 0.00 145 G 7.49 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.41 3.93 0.00 1.74 1.66 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.10 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.17 4.38 0.00 2.98 2.89 0.00 0.00 6.66 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 4.00 0.00 3.03 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.31 4.07 0.00 2.05 1.70 1.07 1.12 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 8.14 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 7.50 4.17 1.24 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 0.00 0.00 0.00 153 Q 8.02 4.29 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.75 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 154 I 7.30 4.00 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.91 0.00 0.00 155 R 7.56 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 4.13 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.