NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.6483 8.2827 119.2028 53.6487 40.8966 175.6987 8 L 4.0027 7.6887 117.7252 56.0961 42.0008 176.7860 9 N 4.3110 8.2183 116.4224 57.0523 38.9599 176.3598 10 V 3.5572 7.5367 119.3779 65.9803 31.6662 177.5431 11 L 4.0460 8.0008 119.3958 58.3929 41.6791 178.5228 12 D 4.3209 8.3501 117.6225 57.3270 41.1790 178.1339 13 A 4.0985 8.6231 121.3693 55.0555 18.3725 179.2152 14 A 3.9190 8.5478 119.7471 55.5978 18.4423 179.7062 15 F 4.2129 8.5859 118.9542 61.3972 39.2738 176.7717 16 Y 4.4324 8.0247 119.3192 60.8845 38.7107 177.5027 17 S 3.8681 8.4249 114.5372 61.7863 62.2737 175.6837 18 L 3.9224 8.1291 122.8207 57.6623 41.6220 178.0727 19 E 3.6626 8.0048 119.8211 59.5785 29.9587 179.0356 20 Q 3.9725 8.5534 118.2834 59.3311 28.8977 179.0009 21 T 3.8345 7.8147 116.4887 66.8963 68.4078 177.1292 22 V 3.8281 8.0396 113.9877 63.9991 31.5416 178.7294 23 V 4.2194 7.4823 119.5293 65.0130 31.1011 178.0654 24 Q 3.8320 7.7695 116.6807 59.1604 28.7949 178.3967 25 I 3.6959 7.3951 118.7935 64.1622 37.2458 178.2716 26 S 4.2652 7.6811 116.2342 61.3573 63.7302 175.2266 27 D 4.7130 8.0664 121.5124 55.9991 38.5906 178.0332 28 R 4.0869 7.6771 121.8045 59.4774 31.5064 177.2526 29 N 4.4320 8.2825 115.9410 55.9652 39.3531 175.5494 30 W 4.3983 9.1288 127.4319 59.8218 31.3388 176.9761 31 F 4.1528 8.8833 119.2037 61.5119 38.9820 178.1479 32 D 4.4210 7.6340 120.2175 53.7439 39.3810 176.4216 *34 Q 3.7731 7.7976 116.3705 54.4907 30.2958 173.9047 35 P 4.2129 0.0000 0.0000 62.4354 32.2308 177.1077 36 S 3.9181 8.8039 116.1216 61.9639 61.9091 176.5146 37 I 3.8096 7.6185 120.3190 63.7287 37.7284 178.0157 38 V 3.5464 8.1407 119.7948 65.8270 31.4036 177.9577 39 Q 3.7333 7.6685 117.5009 58.9955 28.6804 178.5383 40 D 4.4820 8.2112 119.6789 56.3740 39.3331 178.5030 41 T 4.0665 7.6527 117.5380 66.0307 68.4965 176.9368 42 L 4.0620 8.1093 121.0803 57.9094 41.7179 179.3737 43 I 3.5668 7.7597 119.3447 64.5360 37.0488 178.3274 44 A 4.1852 8.0767 121.3744 55.1603 18.1184 179.9851 45 G 3.5841 8.4088 104.2862 47.7685 0.0000 175.8564 46 A 4.1510 8.7371 123.5354 55.0122 18.4016 179.7534 47 I 3.6705 8.2624 118.6821 64.5440 37.2461 178.1043 48 Q 3.8710 8.2411 120.4072 59.5240 28.8512 178.9421 49 K 4.6978 8.8843 119.4253 59.5797 32.0496 179.1851 50 F 4.1360 8.7008 121.4804 61.3112 39.2565 176.8487 51 E 3.3478 8.2358 118.2181 59.2758 29.1723 179.3830 52 F 4.1728 7.8580 117.4888 60.7538 39.0071 177.8670 53 V 3.8290 8.1498 117.7063 66.1329 30.8861 177.3135 54 Y 4.4442 8.3554 119.5402 60.9166 38.5790 177.8085 55 E 3.8663 8.5042 119.6721 59.5018 29.3814 179.5893 56 L 3.9969 7.9150 117.4745 57.8521 41.8162 179.1538 57 S 4.3345 8.6235 114.6795 61.8303 62.9819 176.3269 58 L 3.9523 7.6091 121.0753 57.4058 43.4224 177.8087 59 K 4.0413 7.9174 120.7061 56.5928 28.3486 176.3298 *62 K 4.0429 7.6740 124.4689 56.2849 34.4876 177.1548 63 R 3.8890 8.3686 118.6068 59.7499 29.9072 177.9653 64 Q 3.8292 8.0090 118.4782 59.4319 28.7101 178.6138 65 L 3.7535 7.2279 117.5092 57.3931 41.8422 179.3282 66 Q 4.0317 8.1216 118.4992 59.0019 28.5108 178.1420 67 Q 3.9335 7.9862 117.2003 59.3624 28.8628 178.6906 68 D 4.4119 7.6094 116.3269 54.4671 41.3058 176.9014 69 A 4.2262 6.8662 122.3625 51.6296 19.0635 177.8060 70 I 3.9342 8.2294 120.9069 63.9517 37.4894 176.3367 71 N 5.0268 7.5070 114.5154 50.6994 39.8066 175.0536 72 T 4.0981 8.3978 115.6477 66.7960 68.2549 175.9244 73 D 4.3542 8.3125 120.4669 57.7638 40.5057 177.7819 74 D 4.3900 8.5711 121.8366 57.4677 41.6543 178.8818 75 I 4.1508 7.7365 119.9817 63.9329 37.3152 177.5735 76 G 3.8274 7.6297 101.9711 45.8830 0.0000 174.4779 77 A 4.4224 7.5625 121.5441 51.8529 19.5350 176.1727 78 Y 4.9578 7.0936 117.4071 55.0737 41.7841 175.0860 79 G 4.0453 10.1988 112.3527 44.9421 0.0000 174.2561 80 F 4.1433 9.1763 120.5226 61.8049 39.0657 177.4702 81 K 3.7927 8.2048 117.0347 59.5241 31.8258 178.9824 82 D 4.1827 7.7829 119.1928 57.0593 40.5564 178.9099 83 I 3.6645 7.3755 119.9767 64.2406 37.2846 177.9294 84 L 3.6737 7.7666 120.2117 57.8599 41.3899 179.7712 85 R 3.8005 7.7836 118.3357 59.4589 30.1460 178.2722 86 E 4.0530 8.1878 118.6195 58.8051 29.5465 178.5460 87 A 4.0477 8.2459 121.7619 54.6294 18.3091 179.2534 88 L 3.8433 7.9028 118.9535 58.5945 42.0153 178.5864 89 R 3.8022 7.7613 116.8586 60.1251 29.8894 178.0986 90 F 4.3573 8.0223 112.8189 57.4310 38.6593 175.9472 91 G 4.0424 8.0499 105.6875 46.4577 0.0000 175.5912 92 L 4.0230 8.5382 123.3331 56.2533 41.8321 177.2767 93 I 4.9636 7.4818 109.9246 58.8911 39.9446 175.6407 94 G 3.3790 9.0937 111.7138 47.8608 0.0000 173.3462 95 D 4.9240 7.6387 118.5716 51.5142 44.1038 175.8445 *97 S 4.5239 8.4514 112.0455 58.3381 64.0758 176.0400 98 K 3.6862 7.7595 118.2961 59.1246 31.6027 179.4492 99 W 3.8854 7.6277 116.6149 59.5169 28.7452 178.6815 100 V 4.1127 8.0083 116.9295 65.9681 31.2298 177.5623 101 A 4.1075 7.5008 119.4599 55.5270 18.3153 178.9642 102 Y 4.4089 7.5910 115.3344 61.6561 37.7500 179.2422 103 R 3.8086 8.0026 119.7656 58.6050 30.3228 177.9740 104 D 4.4200 7.7792 116.0604 54.8779 40.1679 177.9841 *106 R 4.2283 8.0152 121.4971 56.4661 31.4568 176.2366 107 N 4.5593 8.0518 113.4396 54.5483 38.7563 175.5071 108 I 4.5421 7.5484 111.7377 60.8706 37.9978 175.8847 109 T 4.8918 8.2196 108.0283 61.6742 69.4111 174.7818 110 S 4.6800 6.9832 115.2064 57.0166 62.8394 172.8927 111 H 3.5339 7.1341 118.1965 57.0851 34.3927 176.7863 112 T 3.7988 7.4628 116.5305 65.3955 68.4394 175.1045 113 Y 4.2198 7.1916 119.0194 59.6823 38.1078 176.7937 114 D 4.6548 8.3575 120.6907 54.6208 41.7750 175.8709 115 Q 4.4052 8.6495 123.8183 56.0463 29.0881 175.6677 116 E 4.5120 8.2158 116.8931 58.1423 31.4216 177.5592 117 K 3.9337 8.6232 117.7518 59.9875 32.4193 179.3072 118 A 3.5443 7.9247 122.7193 53.6017 18.3734 179.0273 *120 A 4.3311 7.4046 121.4325 52.3936 21.1015 179.7880 121 V 3.3256 7.6350 112.2981 65.5895 32.4016 178.6560 122 Y 3.8242 8.1545 119.7638 59.9267 38.9048 177.7066 123 A 3.9673 8.1530 122.9571 55.2766 18.5688 178.1615 124 Q 4.3323 7.7466 112.8752 56.4582 28.9137 177.9230 125 I 3.7131 7.1331 121.3904 63.9269 36.8075 177.9375 126 D 4.3354 7.7724 118.8229 56.9288 40.9034 177.7697 127 D 4.4470 7.9211 118.3246 57.1217 41.4955 177.5395 128 F 3.5686 7.6988 122.4058 60.6109 39.3907 177.1577 129 L 4.3480 8.0391 118.0386 57.4470 41.2063 179.5542 130 I 3.8956 8.2335 119.1779 64.0378 37.9989 177.6468 131 E 4.1794 8.0694 119.0508 59.6237 29.4716 179.3983 132 S 4.3790 8.0568 114.1947 61.0650 62.6943 176.4874 133 S 3.6164 7.6022 116.0386 60.9386 62.2396 175.3087 134 F 4.1333 8.4709 123.8766 61.4107 39.0760 176.8160 135 L 4.1312 8.3489 121.1832 57.7197 41.9927 178.5531 136 L 3.9943 7.5553 119.7594 58.2642 41.6295 178.8262 137 E 3.7934 7.9691 118.4784 59.4935 29.2726 179.1763 138 Q 3.8174 7.4292 117.0747 58.9691 28.8582 178.9481 139 L 4.0559 8.1872 120.4956 57.5366 41.4451 179.3358 140 R 3.8610 7.7701 117.9079 59.2892 30.0700 178.1939 141 Q 4.1084 7.6673 116.6132 57.3103 28.7339 176.1547 142 R 4.1397 7.5049 125.0887 56.2141 30.2596 175.0015 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 7 N 8.28 4.65 0.00 2.81 2.86 0.00 0.00 6.71 5.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.69 4.00 0.00 1.85 1.61 0.88 0.32 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 9 N 8.22 4.31 0.00 2.77 2.86 0.00 0.00 6.75 7.68 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 10 V 7.54 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 11 L 8.00 4.05 0.00 1.78 1.83 0.95 1.09 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 D 8.35 4.32 0.00 2.93 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 13 A 8.62 4.10 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 14 A 8.55 3.92 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 15 F 8.59 4.21 0.00 3.18 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 16 Y 8.02 4.43 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.42 3.87 0.00 4.03 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 18 L 8.13 3.92 0.00 1.92 1.57 1.17 0.75 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 19 E 8.00 3.66 0.00 1.31 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 2.37 2.33 0.00 20 Q 8.55 3.97 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 1.34 1.66 0.00 21 T 7.81 3.83 4.37 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 0.00 0.00 0.00 1.27 0.00 0.00 22 V 8.04 3.83 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 0.95 0.00 0.00 0.93 0.00 0.00 23 V 7.48 4.22 2.21 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 0.86 0.00 0.00 0.94 0.00 0.00 24 Q 7.77 3.83 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 25 I 7.40 3.70 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 -0.27 0.00 0.00 26 S 7.68 4.27 0.00 4.13 3.93 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 0.00 0.00 0.00 27 D 8.07 4.71 0.00 2.75 2.87 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 0.00 0.00 0.00 28 R 7.68 4.09 0.00 2.14 1.98 0.00 3.34 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.01 0.00 29 N 8.28 4.43 0.00 2.80 3.07 0.00 0.00 6.91 7.95 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 30 W 9.13 4.40 0.00 3.28 3.42 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 31 F 8.88 4.15 0.00 3.19 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.63 4.42 0.00 2.84 2.64 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 *34 Q 7.80 3.77 0.00 1.52 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 35 P 0.00 4.21 0.00 2.10 2.07 0.00 3.45 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 36 S 8.80 3.92 0.00 3.80 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 37 I 7.62 3.81 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.86 0.00 0.00 38 V 8.14 3.55 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 0.90 0.00 0.00 0.84 0.00 0.00 39 Q 7.67 3.73 0.00 1.97 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 1.33 2.06 0.00 40 D 8.21 4.48 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.65 4.07 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 42 L 8.11 4.06 0.00 2.17 1.89 1.39 0.74 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 43 I 7.76 3.57 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.27 0.90 0.00 0.00 44 A 8.08 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 3.58 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 0.00 46 A 8.74 4.15 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 47 I 8.26 3.67 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 1.33 0.62 0.93 0.00 0.00 48 Q 8.24 3.87 0.00 2.19 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.08 0.00 49 K 8.88 4.70 0.00 2.09 2.03 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.77 7.81 50 F 8.70 4.14 0.00 2.81 3.19 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 51 E 8.24 3.35 0.00 1.94 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 0.00 2.19 2.40 0.00 52 F 7.86 4.17 0.00 3.43 3.10 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 53 V 8.15 3.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 1.24 0.00 0.00 54 Y 8.36 4.44 0.00 2.36 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 55 E 8.50 3.87 0.00 2.19 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 2.54 2.53 0.00 56 L 7.92 4.00 0.00 2.01 1.81 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.62 4.33 0.00 4.26 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.61 3.95 0.00 1.59 1.60 1.00 0.44 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 59 K 7.92 4.04 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *62 K 7.67 4.04 0.00 1.95 1.88 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.42 7.81 63 R 8.37 3.89 0.00 1.92 1.85 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 64 Q 8.01 3.83 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 65 L 7.23 3.75 0.00 1.72 1.59 0.86 0.83 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 66 Q 8.12 4.03 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 67 Q 7.99 3.93 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 68 D 7.61 4.41 0.00 2.01 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 0.00 0.00 0.00 69 A 6.87 4.23 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 70 I 8.23 3.93 1.89 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 1.50 0.62 0.92 0.00 0.00 71 N 7.51 5.03 0.00 2.75 2.73 0.00 0.00 6.07 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.40 4.10 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 1.19 0.00 0.00 73 D 8.31 4.35 0.00 2.82 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 74 D 8.57 4.39 0.00 2.70 2.75 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 0.00 0.00 0.00 0.00 75 I 7.74 4.15 1.86 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 1.58 0.42 0.89 0.00 0.00 76 G 7.63 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.56 4.42 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 78 Y 7.09 4.96 0.00 2.98 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 79 G 10.20 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 0.00 0.00 0.00 80 F 9.18 4.14 0.00 3.14 3.19 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 81 K 8.20 3.79 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.65 7.81 82 D 7.78 4.18 0.00 2.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 3.66 1.85 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 1.62 0.65 0.78 0.00 0.00 84 L 7.77 3.67 0.00 1.53 1.53 0.64 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.78 3.80 0.00 2.04 1.93 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 86 E 8.19 4.05 0.00 2.33 1.96 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 2.41 2.67 0.00 87 A 8.25 4.05 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 88 L 7.90 3.84 0.00 1.88 1.79 1.05 0.68 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 89 R 7.76 3.80 0.00 1.93 1.67 0.00 3.18 0.00 0.00 3.13 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 90 F 8.02 4.36 0.00 3.01 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 91 G 8.05 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 92 L 8.54 4.02 0.00 1.67 1.59 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.48 4.96 1.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.45 0.00 0.00 94 G 9.09 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 7.64 4.92 0.00 2.67 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 *97 S 8.45 4.52 0.00 3.92 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.76 3.69 0.00 1.51 1.29 0.00 1.92 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.63 7.81 99 W 7.63 3.89 0.00 3.43 3.56 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 0.00 100 V 8.01 4.11 2.31 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 0.93 0.00 0.00 1.09 0.00 0.00 101 A 7.50 4.11 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 0.00 102 Y 7.59 4.41 0.00 3.39 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 0.00 103 R 8.00 3.81 0.00 1.45 1.95 0.00 2.78 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 0.00 104 D 7.78 4.42 0.00 2.96 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 *106 R 8.02 4.23 0.00 1.30 1.81 0.00 3.32 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.26 0.00 107 N 8.05 4.56 0.00 2.93 2.82 0.00 0.00 6.86 7.01 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 0.00 108 I 7.55 4.54 1.86 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 1.59 0.60 0.90 0.00 0.00 109 T 8.22 4.89 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 1.26 0.00 0.00 110 S 6.98 4.68 0.00 3.81 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 0.00 111 H 7.13 3.53 0.00 2.91 2.95 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.46 3.80 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 1.18 0.00 0.00 113 Y 7.19 4.22 0.00 3.03 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 0.00 114 D 8.36 4.65 0.00 2.99 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 0.00 115 Q 8.65 4.41 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 116 E 8.22 4.51 0.00 2.28 1.95 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 2.20 2.30 0.00 117 K 8.62 3.93 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 118 A 7.92 3.54 1.39 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 0.00 0.00 0.00 *120 A 7.40 4.33 1.25 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 0.00 0.00 121 V 7.64 3.33 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 0.49 0.00 0.00 0.80 0.00 0.00 122 Y 8.15 3.82 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.15 3.97 1.36 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 0.00 0.00 0.00 0.00 0.00 124 Q 7.75 4.33 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 125 I 7.13 3.71 1.38 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.30 0.74 0.00 0.00 126 D 7.77 4.34 0.00 2.57 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 0.00 127 D 7.92 4.45 0.00 2.77 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 0.00 128 F 7.70 3.57 0.00 2.65 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 0.00 129 L 8.04 4.35 0.00 1.93 1.77 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.23 3.90 1.90 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 1.57 1.65 1.01 0.00 0.00 131 E 8.07 4.18 0.00 1.97 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 0.00 2.65 2.44 0.00 132 S 8.06 4.38 0.00 3.97 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 0.00 133 S 7.60 3.62 0.00 4.33 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.47 4.13 0.00 3.32 3.40 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 0.00 135 L 8.35 4.13 0.00 1.82 1.90 0.76 0.20 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 0.00 136 L 7.56 3.99 0.00 1.69 1.53 0.46 1.40 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 0.00 137 E 7.97 3.79 0.00 2.06 1.76 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 2.23 2.36 0.00 138 Q 7.43 3.82 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.99 0.00 0.00 0.00 0.00 0.00 1.87 2.36 0.00 139 L 8.19 4.06 0.00 1.70 1.62 0.84 0.67 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 0.00 140 R 7.77 3.86 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 141 Q 7.67 4.11 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 142 R 7.50 4.14 0.00 1.60 1.82 0.00 3.30 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.