NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.2933 8.3344 115.2876 57.5118 64.1766 173.4514 9 V 4.0530 7.4554 119.7738 59.4954 33.1450 172.3695 10 P 4.2037 0.0000 0.0000 63.1705 32.7531 176.7384 11 E 3.9658 8.9792 122.2394 59.2684 29.5832 178.9737 12 A 4.0608 7.9975 120.6112 54.9063 18.4819 179.6204 13 V 3.6960 7.9998 117.1066 65.9702 31.6756 178.3257 14 V 3.7964 7.9183 117.5634 66.3663 31.4217 177.6100 15 N 4.4694 8.5451 116.1907 55.9971 38.3003 177.2253 16 W 4.1293 8.3475 129.4851 60.3521 30.7373 177.5519 17 L 3.7784 8.9199 120.6875 58.2684 41.1419 178.7097 18 F 3.8192 8.5329 120.3130 61.0679 39.0336 176.9643 19 K 3.8215 7.8229 116.7274 59.8615 32.0309 179.5879 20 V 3.5565 7.1583 110.7972 63.9344 31.5969 178.5211 21 I 4.0506 7.2688 119.9449 64.1526 35.8296 178.0004 22 Q 3.8178 7.3407 118.7526 58.5440 28.5719 177.3600 23 P 4.2038 0.0000 0.0000 64.2109 32.0526 176.9554 24 I 3.9051 7.1536 120.0188 63.2391 37.8522 175.6671 25 Y 4.5442 7.6019 116.9099 56.6701 38.7421 175.6834 26 N 4.4798 8.7959 122.6398 55.7199 39.1652 175.1145 27 D 4.9250 7.9030 118.2999 51.9167 40.9464 176.0945 28 G 3.7247 8.1667 110.4068 47.1072 0.0000 172.6865 29 R 4.1352 7.9725 120.0129 59.6419 30.1702 179.0325 30 T 4.0577 8.1941 115.1389 66.8041 68.4175 177.1260 31 T 3.9281 8.1317 117.8017 66.5501 68.3975 176.4993 32 F 4.0574 8.3888 122.5156 61.4116 39.4315 176.5572 33 H 3.9627 8.5137 117.8742 59.5639 29.7102 177.0099 34 D 4.3489 8.4220 121.0314 57.2602 40.6580 178.9823 35 S 4.0222 8.1497 115.0505 61.1354 63.0846 176.3604 36 L 3.7342 7.7381 123.8286 57.6884 41.8122 178.6343 37 A 3.8692 7.8934 120.8467 55.0120 18.1472 179.3738 38 L 3.9989 7.8350 118.6613 58.4892 42.0304 179.2752 39 L 4.0104 7.6847 117.4687 57.8204 41.5541 178.7652 40 D 4.4365 8.0557 117.4850 57.0899 41.1982 177.3898 41 N 4.4494 7.9552 116.8785 54.3437 39.6912 174.4210 42 F 4.7093 8.2071 120.3020 55.4891 39.4112 175.4780 43 H 4.3936 8.6630 123.0119 57.7372 28.8041 176.8245 44 S 4.4268 8.1304 113.2310 58.7984 63.6291 173.1826 45 L 4.8462 7.6508 121.3978 53.4167 43.4845 176.0198 46 R 4.6350 8.1870 120.2458 53.8066 34.6466 172.4091 47 P 5.5743 0.0000 0.0000 61.6748 34.0195 174.1969 48 R 4.8603 8.8200 115.7504 55.9079 32.9498 173.5703 49 T 5.3064 8.9217 110.3855 60.7706 71.2665 173.7518 50 R 4.8788 8.9253 120.6631 54.9499 35.4784 174.3900 51 V 4.3509 8.5623 122.0873 62.7864 32.2371 174.9261 52 F 4.2863 9.4837 131.6073 57.3108 40.9694 174.3499 53 T 4.7269 7.3516 122.6514 62.0376 69.5633 174.5303 54 H 4.5776 8.9947 124.3557 55.2499 29.5312 177.0000 55 S 4.0720 8.6912 117.1633 61.4885 62.6832 175.2734 56 D 4.5854 8.1367 117.5004 53.0968 39.3873 177.2711 57 G 3.9223 8.3044 109.1892 45.5593 0.0000 173.9658 58 T 4.2582 8.4821 118.6941 62.7374 69.3191 172.2426 59 P 5.0804 0.0000 0.0000 62.4920 33.1963 175.5426 60 Q 4.5234 9.0706 123.2860 54.6512 32.7912 173.1869 61 L 4.7662 8.6975 129.4002 55.2789 42.8605 175.7934 62 L 5.0350 9.2054 125.2216 52.7397 46.9215 175.3913 63 L 4.8600 9.4257 124.2010 55.1153 43.4067 175.8851 64 S 4.8152 9.3870 119.9165 56.4962 66.6903 172.6590 65 I 5.1155 8.1036 121.5784 59.7627 39.7828 174.3616 66 Y 4.9375 9.3939 123.8665 55.1535 42.1328 175.6570 67 G 4.4465 7.3692 106.0956 45.4405 0.0000 171.4262 68 T 5.0269 7.8403 116.4213 62.0903 70.2983 174.7101 69 I 4.5007 8.3467 125.7697 59.4131 40.3588 174.8773 70 S 4.6368 8.6454 120.9879 58.2846 62.6688 173.5190 71 T 4.4799 8.5921 118.5858 61.9152 69.3706 175.2247 72 G 3.6200 8.1646 109.7181 48.1061 0.0000 174.0665 *80 S 4.6393 7.7049 112.9816 57.8943 64.3546 173.5962 81 I 4.7806 8.5881 115.5745 58.5325 41.2039 172.2625 82 P 5.0514 0.0000 0.0000 62.7558 32.8197 175.4567 83 V 4.9555 9.0297 116.8091 59.7202 36.5980 174.2004 84 I 4.9676 8.4584 122.1379 59.2804 41.8007 174.3934 *86 W 4.4786 8.2816 120.7395 56.7351 30.5670 175.0777 87 V 4.2454 7.9912 123.7622 60.1279 32.1054 173.8619 88 P 4.5186 0.0000 0.0000 62.4596 32.1580 178.1855 89 S 3.8548 8.3371 115.9511 57.7412 61.6514 173.2657 *91 Y 4.9652 8.0253 120.1500 58.3824 39.5257 172.8643 92 P 4.0637 0.0000 0.0000 62.5027 32.0650 176.7199 93 V 3.7775 7.8731 119.5110 65.2545 31.6587 176.0122 94 K 4.6381 7.8148 118.1976 53.4998 34.6006 173.9399 95 P 3.2914 0.0000 0.0000 61.1345 31.9256 173.9109 96 P 4.5803 0.0000 0.0000 62.4789 32.5842 174.9868 97 F 4.9699 7.5610 113.3558 55.2735 40.9204 174.2277 98 I 5.2718 8.6137 120.5174 59.7670 41.2315 174.3777 99 S 5.3707 9.3572 119.8782 56.3165 66.6398 173.3710 100 I 4.1202 8.3735 121.7116 61.5978 37.8074 175.8977 101 N 4.7248 9.3913 127.1028 52.2858 38.1064 174.8644 102 L 4.0562 8.4788 126.1501 55.9550 42.2786 176.9725 103 E 3.9432 7.7333 118.6015 58.2173 29.4555 177.1336 104 N 4.4081 9.0185 119.6034 53.4772 36.3694 174.4268 105 F 4.2540 7.9851 117.1045 56.6448 40.1943 176.1631 106 D 4.5734 8.2069 122.9128 53.7172 43.2050 175.3417 *108 N 4.6609 8.2923 110.9090 54.4225 40.0261 175.3249 109 T 4.5801 7.2364 123.8774 62.6916 67.7781 177.8532 *114 L 4.1350 8.4218 131.1689 54.7956 42.0832 175.6672 115 P 4.3273 0.0000 0.0000 65.6106 31.1426 178.6062 116 I 3.9214 7.8394 117.1490 63.8871 37.8898 177.3588 117 Q 3.9925 8.4328 121.1321 59.1549 28.6274 177.8513 118 E 4.1042 7.8863 117.0631 58.1236 29.2491 176.9698 119 Y 4.4171 8.1712 116.1089 57.6604 38.9091 175.0200 120 I 4.7049 7.5025 122.5901 59.8612 37.9005 175.6709 121 D 4.7179 8.8501 125.9980 52.4034 40.1695 177.4238 122 S 4.0496 8.5710 113.7691 61.2405 62.7391 174.9436 123 N 4.4217 8.2789 115.9648 53.3465 38.6070 175.6829 124 G 3.5903 8.2752 107.0784 44.9601 0.0000 173.4198 125 W 5.2825 7.9489 119.3743 54.6947 30.9789 175.7053 126 I 4.2219 9.2921 123.5915 61.3182 37.1775 177.6924 127 A 4.4150 9.0024 132.0264 51.1166 16.7755 175.9176 128 L 4.2153 7.7527 123.9110 53.3674 43.5138 175.2508 129 P 4.2887 0.0000 0.0000 66.1760 30.9543 178.1215 130 I 3.7710 8.0537 116.3977 64.4240 37.4804 177.5038 131 L 4.2810 8.1504 118.6965 57.3388 41.5280 178.1844 132 H 4.6402 8.4325 114.8383 56.0020 30.4241 174.9872 133 C 4.8441 7.5356 119.2736 57.4569 30.8883 173.0349 134 W 4.5978 7.9378 129.9511 55.9533 31.9765 174.5786 135 D 4.5576 7.5968 125.4631 51.4325 41.1841 174.1601 136 P 4.0244 0.0000 0.0000 63.8815 31.0573 176.6372 137 A 4.5034 7.8229 120.2798 52.1321 20.6779 176.2568 138 A 4.4788 7.1553 118.0002 51.0074 19.2019 174.1725 *140 N 4.9596 7.6861 117.4925 53.0966 39.2123 174.4293 141 L 4.2664 8.5607 116.5265 58.2461 41.9214 180.3673 142 I 3.8776 7.4441 117.2333 61.9637 36.8542 178.1069 *144 V 4.0849 7.9749 121.6374 63.0797 32.9768 177.6741 145 V 3.4549 7.7759 117.4404 65.8941 31.2283 177.5090 146 Q 4.2174 8.0968 117.0261 59.2619 28.6886 178.5849 147 E 4.1593 8.1256 117.7000 58.8853 29.9990 179.8977 148 L 4.1338 7.7593 122.1886 54.6401 41.9800 178.1823 *150 S 3.9620 7.9297 111.1730 57.3354 64.8554 175.3974 151 L 3.7749 7.6918 125.1555 58.3121 41.6199 178.9726 152 L 4.3361 7.3704 114.4710 56.0068 41.7105 177.4254 153 H 4.5550 8.1378 115.6084 57.1343 28.9408 174.9141 154 E 4.8102 7.6592 118.3351 53.1479 32.6052 173.3614 155 P 4.5318 0.0000 0.0000 61.6295 32.1885 174.4253 156 P 4.1050 0.0000 0.0000 62.7099 31.6784 175.2877 157 Q 3.9844 8.5919 124.2326 56.3372 28.0910 175.9053 158 D 4.5486 8.1574 122.3622 55.7260 42.6760 177.7345 *159 Q 4.1254 7.7840 123.3676 54.2148 28.8154 177.1164 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 8 S 8.33 4.29 0.00 3.87 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 9 V 7.46 4.05 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 0.89 0.00 0.00 0.90 0.00 0.00 10 P 0.00 4.20 0.00 2.20 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 11 E 8.98 3.97 0.00 2.09 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 2.40 2.48 0.00 12 A 8.00 4.06 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 13 V 8.00 3.70 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.88 0.00 0.00 14 V 7.92 3.80 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 1.28 0.00 0.00 1.05 0.00 0.00 15 N 8.55 4.47 0.00 2.90 2.95 0.00 0.00 6.72 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.35 4.13 0.00 3.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.92 3.78 0.00 2.37 2.19 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.53 3.82 0.00 2.70 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 19 K 7.82 3.82 0.00 1.83 1.76 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.78 7.81 20 V 7.16 3.56 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.11 0.00 0.00 21 I 7.27 4.05 1.93 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 1.31 0.65 0.87 0.00 0.00 22 Q 7.34 3.82 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.86 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 23 P 0.00 4.20 0.00 2.13 2.12 0.00 3.86 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 24 I 7.15 3.91 1.72 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 1.19 0.52 0.04 0.00 0.00 25 Y 7.60 4.54 0.00 3.03 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 26 N 8.80 4.48 0.00 2.79 2.92 0.00 0.00 6.77 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 27 D 7.90 4.92 0.00 2.70 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.17 3.72 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 0.00 0.00 0.00 29 R 7.97 4.14 0.00 1.94 2.08 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 30 T 8.19 4.06 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 31 T 8.13 3.93 4.08 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 0.00 0.00 0.23 0.00 0.00 32 F 8.39 4.06 0.00 3.22 3.24 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 33 H 8.51 3.96 0.00 3.44 3.54 0.00 5.84 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 34 D 8.42 4.35 0.00 2.92 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 35 S 8.15 4.02 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.74 3.73 0.00 1.13 1.28 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.89 3.87 1.27 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 0.00 0.00 38 L 7.84 4.00 0.00 1.91 1.87 1.11 0.64 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 39 L 7.68 4.01 0.00 1.77 1.70 0.93 0.88 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 40 D 8.06 4.44 0.00 2.60 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 41 N 7.96 4.45 0.00 2.66 2.22 0.00 0.00 7.03 6.33 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 42 F 8.21 4.71 0.00 3.11 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 43 H 8.66 4.39 0.00 3.10 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.13 4.43 0.00 4.00 4.13 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 45 L 7.65 4.85 0.00 1.67 1.48 0.74 0.46 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 46 R 8.19 4.63 0.00 0.67 1.39 0.00 2.95 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.25 0.00 47 P 0.00 5.57 0.00 2.41 2.10 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 48 R 8.82 4.86 0.00 1.94 2.14 0.00 2.55 0.00 0.00 2.75 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 49 T 8.92 5.31 4.41 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 1.32 0.00 0.00 50 R 8.93 4.88 0.00 2.09 2.14 0.00 3.37 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 51 V 8.56 4.35 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 0.78 0.00 0.00 1.01 0.00 0.00 52 F 9.48 4.29 0.00 2.57 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 53 T 7.35 4.73 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 1.12 0.00 0.00 54 H 8.99 4.58 0.00 3.45 3.28 0.00 5.62 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 55 S 8.69 4.07 0.00 3.88 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 56 D 8.14 4.59 0.00 2.77 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 0.00 0.00 0.00 0.00 57 G 8.30 3.92 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 0.00 0.00 0.00 58 T 8.48 4.26 4.30 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 0.00 0.00 0.00 1.22 0.00 0.00 59 P 0.00 5.08 0.00 2.10 2.05 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 60 Q 9.07 4.52 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 61 L 8.70 4.77 0.00 1.74 1.60 1.09 1.00 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 62 L 9.21 5.04 0.00 2.01 1.74 0.67 0.14 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 63 L 9.43 4.86 0.00 1.89 1.67 1.12 0.52 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 64 S 9.39 4.82 0.00 2.85 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 65 I 8.10 5.12 1.74 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 1.28 0.83 0.81 0.00 0.00 66 Y 9.39 4.94 0.00 3.04 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 67 G 7.37 4.45 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 0.00 68 T 7.84 5.03 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 1.24 0.00 0.00 69 I 8.35 4.50 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.67 0.78 0.00 0.00 70 S 8.65 4.64 0.00 3.90 3.77 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 71 T 8.59 4.48 4.18 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 1.21 0.00 0.00 72 G 8.16 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 *80 S 7.70 4.64 0.00 3.94 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 81 I 8.59 4.78 1.81 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 1.24 0.87 0.87 0.00 0.00 82 P 0.00 5.05 0.00 2.35 2.41 0.00 3.48 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 83 V 9.03 4.96 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 0.89 0.00 0.00 0.95 0.00 0.00 84 I 8.46 4.97 1.94 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 1.16 0.77 0.35 0.00 0.00 *86 W 8.28 4.48 0.00 1.78 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 0.00 0.00 0.00 87 V 7.99 4.25 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 0.25 0.00 0.00 0.61 0.00 0.00 88 P 0.00 4.52 0.00 2.31 2.28 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 89 S 8.34 3.85 0.00 3.92 3.82 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 Y 8.03 4.97 0.00 3.27 3.09 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 92 P 0.00 4.06 0.00 2.04 1.27 0.00 3.76 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 93 V 7.87 3.78 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 0.85 0.00 0.00 0.95 0.00 0.00 94 K 7.81 4.64 0.00 1.85 1.63 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81 95 P 0.00 3.29 0.00 1.40 0.49 0.00 3.58 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 96 P 0.00 4.58 0.00 1.85 1.83 0.00 2.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 97 F 7.56 4.97 0.00 2.18 2.45 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 98 I 8.61 5.27 1.99 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 1.38 1.01 0.98 0.00 0.00 99 S 9.36 5.37 0.00 3.90 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 0.00 100 I 8.37 4.12 1.83 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 1.21 0.55 0.83 0.00 0.00 101 N 9.39 4.72 0.00 2.56 2.82 0.00 0.00 7.22 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 0.00 102 L 8.48 4.06 0.00 1.77 1.71 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.73 3.94 0.00 2.07 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 2.37 2.40 0.00 104 N 9.02 4.41 0.00 2.86 2.91 0.00 0.00 7.18 7.45 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 0.00 105 F 7.99 4.25 0.00 3.21 3.02 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 0.00 106 D 8.21 4.57 0.00 2.62 2.65 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 0.00 0.00 0.00 *108 N 8.29 4.66 0.00 2.75 2.96 0.00 0.00 6.79 7.70 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 0.00 109 T 7.24 4.58 4.25 0.00 0.00 0.00 0.00 0.00 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 *114 L 8.42 4.13 0.00 1.73 1.64 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.33 0.00 2.23 2.21 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 116 I 7.84 3.92 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.91 0.00 0.00 117 Q 8.43 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 118 E 7.89 4.10 0.00 1.63 1.81 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 2.48 2.44 0.00 119 Y 8.17 4.42 0.00 3.23 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 0.00 120 I 7.50 4.70 2.03 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 1.42 0.77 0.90 0.00 0.00 121 D 8.85 4.72 0.00 2.97 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 0.00 122 S 8.57 4.05 0.00 3.99 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 0.00 123 N 8.28 4.42 0.00 3.03 2.97 0.00 0.00 7.08 7.65 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 0.00 124 G 8.28 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 0.00 125 W 7.95 5.28 0.00 3.84 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 0.00 126 I 9.29 4.22 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.97 0.00 0.00 127 A 9.00 4.41 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 0.00 128 L 7.75 4.22 0.00 1.73 1.64 0.99 0.94 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 0.00 129 P 0.00 4.29 0.00 2.25 2.17 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 130 I 8.05 3.77 1.99 0.00 0.00 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 2.02 1.50 1.05 0.00 0.00 131 L 8.15 4.28 0.00 1.90 1.70 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.43 4.64 0.00 3.27 3.44 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 7.54 4.84 0.00 3.02 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 0.00 134 W 7.94 4.60 0.00 3.54 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 0.00 135 D 7.60 4.56 0.00 2.61 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.02 0.00 2.19 2.49 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 137 A 7.82 4.50 1.19 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 0.00 0.00 0.00 0.00 0.00 138 A 7.16 4.48 1.10 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 *140 N 7.69 4.96 0.00 2.99 3.02 0.00 0.00 6.44 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 0.00 141 L 8.56 4.27 0.00 1.75 1.73 0.65 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.44 3.88 2.09 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 1.34 0.66 1.03 0.00 0.00 *144 V 7.97 4.08 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 0.97 0.00 0.00 1.27 0.00 0.00 145 V 7.78 3.45 1.80 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 -0.08 0.00 0.00 0.68 0.00 0.00 146 Q 8.10 4.22 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 147 E 8.13 4.16 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 2.38 2.39 0.00 148 L 7.76 4.13 0.00 1.72 1.75 0.86 1.01 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 *150 S 7.93 3.96 0.00 3.90 3.82 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 0.00 151 L 7.69 3.77 0.00 1.62 1.43 0.84 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.37 4.34 0.00 1.59 1.73 0.58 1.19 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 0.00 153 H 8.14 4.56 0.00 3.27 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.66 4.81 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 155 P 0.00 4.53 0.00 2.21 2.05 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 156 P 0.00 4.11 0.00 1.79 1.70 0.00 3.50 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.00 157 Q 8.59 3.98 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 158 D 8.16 4.55 0.00 2.74 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 *159 Q 7.78 4.13 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.