NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.3967 8.0327 110.9457 60.8636 70.5999 174.2978 10 W 4.0159 8.9208 130.6515 60.5737 30.4182 176.2148 11 D 4.4343 9.1394 119.7111 57.2526 40.6470 178.0188 12 E 3.9168 8.0506 119.0938 59.3393 29.4911 179.2052 13 A 3.8933 8.0094 120.7319 54.9605 18.4347 179.3489 14 L 3.7089 7.5279 118.6265 58.3369 42.1880 179.3432 15 K 3.9533 8.2095 118.5182 59.5073 31.8496 179.4850 16 R 3.9193 8.2274 118.5184 59.3266 30.0448 179.1314 17 L 3.9768 7.9820 118.7525 57.7032 41.5818 179.3754 18 E 3.9374 8.3317 118.3982 59.2929 29.3871 179.3444 19 A 3.9874 7.9701 120.9520 55.2478 18.4792 179.9361 20 S 4.1267 8.3414 113.0507 61.3536 62.9590 176.7233 21 R 3.8646 7.9643 122.3605 59.1305 29.8426 178.4312 22 K 3.8761 7.8903 117.6700 59.5063 32.1026 179.0711 23 A 3.9494 7.9476 120.7804 55.0048 18.3164 179.4030 24 L 3.8918 8.2642 119.1740 58.4366 42.2516 179.1714 25 L 3.9833 8.2691 119.0295 57.6855 41.5154 179.5093 26 A 3.9629 8.0282 120.7566 54.9030 18.3766 179.1472 27 L 3.8336 7.9071 118.9090 58.5025 41.8882 179.3095 28 L 4.0940 7.8109 117.1147 58.0734 41.6998 179.6489 29 R 4.0864 8.0291 116.4292 58.4365 30.0653 177.9674 30 E 4.3525 7.9650 116.1092 55.6813 30.5248 176.4468 31 A 3.9984 7.1647 121.9277 51.4194 19.4157 176.8520 32 D 4.4270 8.5739 120.8885 53.8376 42.0251 175.2673 33 P 4.2989 0.0000 0.0000 66.1356 31.0680 178.4393 34 A 3.9959 8.1547 117.8933 54.8500 18.6931 179.0289 35 W 4.1890 8.2898 126.5561 60.4518 30.6680 178.1450 36 L 3.8010 8.2499 118.6398 57.1673 40.8499 178.5187 37 S 4.5698 7.2899 110.7483 57.9702 62.9588 173.5951 38 A 4.5221 7.1702 124.3724 49.6328 20.0706 175.5618 39 P 4.5297 0.0000 0.0000 62.6632 31.9664 176.9447 40 L 4.0177 8.5225 125.2518 58.4609 41.9596 177.5766 *41 R 4.5067 7.6543 116.8370 55.4681 33.0205 176.5985 *42 E 4.1692 8.7151 111.1074 59.3516 29.5992 173.8138 43 G 3.9229 8.9279 111.3836 44.5954 0.0000 173.1806 44 A 4.5606 7.7752 121.4414 50.5646 20.1306 177.3870 45 W 4.5809 8.7646 117.1214 56.7573 30.2245 175.1291 46 T 4.6183 8.0566 109.9669 58.9195 70.5828 173.9532 47 P 3.8107 0.0000 0.0000 65.7800 31.1203 178.9653 48 L 3.8859 7.4478 117.3125 57.8683 41.3618 179.5079 49 M 3.9646 7.6193 118.3547 57.9901 31.8537 178.8071 50 V 2.0000 6.8423 118.0734 65.4404 31.6011 177.9076 51 A 3.8738 7.6837 120.3363 55.1275 18.1215 179.1210 52 E 3.8520 8.0747 117.7762 59.5607 29.6780 178.4281 53 H 4.1603 8.3459 118.4324 59.2986 29.9388 177.0683 54 V 3.5980 7.7911 119.6830 66.1386 31.2675 177.6348 55 A 3.9935 7.9735 120.1125 55.3956 18.1469 179.6388 56 L 3.9675 8.1967 117.6009 57.9625 41.6084 179.9942 57 V 3.6206 7.9289 118.2397 65.9535 31.4104 178.0190 58 E 4.0084 8.2906 118.5936 59.1168 29.2508 178.7190 59 D 4.3655 8.3109 118.2897 57.3991 41.3235 178.2612 60 S 4.0195 8.3664 113.8853 61.6961 62.3659 176.0721 61 T 3.6715 8.2602 118.5476 66.6637 68.1995 176.2687 62 A 3.5998 7.7830 122.4162 55.1683 18.1119 179.9685 63 R 3.7959 7.6307 116.4543 59.0460 30.0092 179.4910 64 V 2.8109 7.3781 118.1749 65.6681 31.3375 178.0580 65 L 3.8724 7.7902 119.0927 57.6931 41.4057 179.5153 66 R 4.1215 7.8800 119.9928 58.8820 29.9503 178.5486 67 R 3.8030 7.9665 118.6365 59.4587 30.1354 178.5245 68 L 3.9819 8.1749 119.1537 57.5602 41.2893 179.5737 69 R 3.8912 7.7575 118.2471 59.4137 30.1329 178.4552 70 R 4.0662 7.7562 116.8547 59.2617 30.1438 178.7261 71 L 4.1131 8.1048 117.9012 57.5098 41.5853 179.3238 72 A 4.0399 7.6976 122.4580 55.5151 18.4596 179.1087 *104 L 4.3372 7.6327 114.9731 53.7611 43.2946 179.3177 105 S 4.8738 7.3924 113.7343 55.8806 66.6916 174.6313 106 L 3.9416 8.4052 126.4300 59.0587 42.0121 179.3450 *107 E 4.0202 8.4302 120.1955 62.0405 29.5144 181.3758 *108 E 4.1722 7.8581 119.3722 60.9293 29.7491 181.2010 109 V 3.7838 7.9831 119.8733 65.7957 31.5826 178.0996 110 L 3.9544 8.5116 118.8671 57.7316 41.4063 179.4386 111 A 4.0005 7.9621 120.5680 54.9439 18.3087 179.4543 112 L 3.9129 8.0216 118.9222 58.1700 42.1877 179.1453 113 L 3.9782 8.1531 119.1277 57.9770 41.5098 179.3127 114 D 4.3599 8.0819 118.7268 57.2445 40.7637 178.8065 115 R 3.8604 8.0165 118.9314 59.5311 30.1822 178.4645 116 A 4.1649 8.0109 120.5791 55.1551 18.2984 179.6213 117 R 3.9756 8.2423 117.0984 59.4137 30.1906 178.5016 118 A 4.0163 8.3305 120.9331 55.1155 18.3812 179.4190 119 F 4.3902 8.3312 119.0454 61.4689 39.4918 176.8709 120 L 3.6748 8.4253 120.2695 58.3722 41.8247 179.0605 121 L 4.0957 8.3135 121.2396 58.2991 41.2706 179.9565 122 E 4.0701 8.1282 117.6004 61.3258 29.8092 181.2786 123 E 4.3599 8.2354 119.7743 58.9069 29.6260 179.4325 124 V 3.9183 8.2715 118.7039 66.2529 31.3701 178.0020 125 A 4.1661 8.1234 119.0820 54.6528 18.3035 178.3015 126 K 4.1890 7.5956 114.1766 56.8297 32.7981 177.0038 127 A 4.2077 7.5696 121.8410 51.4257 19.4588 176.6165 128 D 4.4752 8.0816 119.3835 51.6775 41.6039 175.1901 129 P 3.3262 0.0000 0.0000 65.0749 31.2673 177.4089 130 Q 4.2967 8.0882 114.5488 55.1396 28.9607 174.9843 131 N 4.1880 8.0961 118.5000 53.5470 38.8941 172.9826 132 P 4.4198 0.0000 0.0000 64.2207 32.4125 176.5028 133 A 4.4037 8.4175 122.7654 52.3708 19.3487 176.5891 134 T 5.3531 8.5189 109.9735 60.0176 72.3719 172.9725 135 F 5.0489 9.5915 124.6521 55.6454 43.3529 171.9094 136 P 4.8865 0.0000 0.0000 63.2696 32.0317 174.7722 137 H 5.0017 9.4803 125.0216 53.7581 30.9172 173.8752 138 P 4.2799 0.0000 0.0000 65.3515 31.1992 176.5976 139 F 4.2914 8.3617 118.6097 59.3154 40.3392 176.0946 140 F 4.5021 8.0110 115.5232 56.9117 40.0675 177.8551 141 G 3.7409 7.9452 109.7755 45.4852 0.0000 173.1573 142 E 4.4312 8.7885 123.0959 56.2824 29.7812 176.0934 143 L 4.8207 8.8015 124.3956 52.5066 44.8810 176.6885 144 N 5.8003 8.3843 121.5853 50.6825 40.6046 174.0675 145 P 4.5333 0.0000 0.0000 65.9376 31.1936 178.4001 146 L 4.5919 8.4397 118.7011 58.3448 41.8292 179.0399 147 G 3.6147 8.4241 104.2391 47.7706 0.0000 175.2253 148 W 4.2538 8.4919 121.7722 59.2993 29.0081 178.4642 149 L 3.8883 8.3707 120.3257 58.1247 41.4180 179.0630 150 R 3.6709 8.1959 118.1548 58.9558 29.9605 176.7156 *151 A 4.2458 7.7951 122.5702 51.7766 20.4087 176.2572 152 A 4.0691 8.3281 120.9816 55.5660 18.4366 180.1119 153 A 3.9226 8.1244 118.8609 55.6576 18.4711 179.2370 154 Y 4.2871 8.3460 118.3042 60.9938 38.7947 177.6990 155 H 3.9560 8.5480 119.3935 59.3518 29.9852 176.8987 156 E 3.9141 8.3063 120.8623 59.1164 29.3627 178.5768 157 A 3.9761 8.0913 120.9091 55.3328 18.4721 178.9879 158 H 3.8868 8.4098 117.1139 59.8741 29.8969 177.2695 159 H 4.2220 8.0681 117.8965 58.3450 28.4773 177.4113 160 L 3.9295 8.1866 122.6457 58.1662 41.9114 178.8243 161 K 4.0856 8.4631 120.6442 58.8727 31.8143 178.4546 162 A 3.9916 7.7180 119.7051 55.0662 18.6413 179.2881 163 L 4.2637 8.0568 117.4242 58.3070 41.3589 179.6790 164 Q 3.9978 8.5378 118.0627 59.1151 28.4399 179.0496 165 A 4.1501 8.1191 120.4037 54.4212 18.4304 178.0952 166 S 4.5955 8.0112 117.9887 58.9023 63.3023 173.9064 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 9 T 8.03 4.40 4.33 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 1.25 0.00 0.00 10 W 8.92 4.02 0.00 3.56 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 11 D 9.14 4.43 0.00 2.81 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 12 E 8.05 3.92 0.00 2.19 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 2.34 2.35 0.00 13 A 8.01 3.89 1.17 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 0.00 0.00 14 L 7.53 3.71 0.00 1.43 1.73 0.81 0.63 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 15 K 8.21 3.95 0.00 1.91 1.84 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.36 7.81 16 R 8.23 3.92 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 17 L 7.98 3.98 0.00 1.82 1.67 0.82 0.84 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 18 E 8.33 3.94 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 19 A 7.97 3.99 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 20 S 8.34 4.13 0.00 4.06 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 21 R 7.96 3.86 0.00 2.16 2.16 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 22 K 7.89 3.88 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 23 A 7.95 3.95 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 24 L 8.26 3.89 0.00 1.79 1.81 0.92 0.57 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 25 L 8.27 3.98 0.00 1.71 1.70 0.92 0.71 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 26 A 8.03 3.96 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 27 L 7.91 3.83 0.00 1.80 1.89 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.81 4.09 0.00 1.82 1.75 0.92 0.88 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 29 R 8.03 4.09 0.00 1.86 1.99 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 30 E 7.96 4.35 0.00 1.96 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 2.25 2.37 0.00 31 A 7.16 4.00 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 32 D 8.57 4.43 0.00 2.77 2.62 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 33 P 0.00 4.30 0.00 2.22 2.14 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 34 A 8.15 4.00 1.29 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 35 W 8.29 4.19 0.00 3.44 3.41 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 36 L 8.25 3.80 0.00 1.95 1.68 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.29 4.57 0.00 3.95 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 38 A 7.17 4.52 1.23 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 0.00 0.00 0.00 39 P 0.00 4.53 0.00 2.10 2.20 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 2.02 2.10 0.00 40 L 8.52 4.02 0.00 1.74 1.79 1.00 0.38 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 *41 R 7.65 4.51 0.00 1.69 1.77 0.00 3.26 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 *42 E 8.72 4.17 0.00 1.98 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 0.00 2.23 1.89 0.00 43 G 8.93 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 44 A 7.78 4.56 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 45 W 8.76 4.58 0.00 3.34 3.20 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 46 T 8.06 4.62 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 47 P 0.00 3.81 0.00 1.63 1.61 0.00 3.17 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.88 0.00 48 L 7.45 3.89 0.00 1.52 1.62 0.87 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 M 7.62 3.96 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 50 V 6.84 2.00 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 0.75 0.00 0.00 -0.30 0.00 0.00 51 A 7.68 3.87 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.07 3.85 0.00 2.03 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 2.33 2.33 0.00 53 H 8.35 4.16 0.00 3.54 3.47 0.00 5.85 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 54 V 7.79 3.60 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 0.96 0.00 0.00 0.86 0.00 0.00 55 A 7.97 3.99 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 56 L 8.20 3.97 0.00 1.72 1.77 1.03 1.16 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 57 V 7.93 3.62 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 1.01 0.00 0.00 0.80 0.00 0.00 58 E 8.29 4.01 0.00 2.23 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 2.36 2.58 0.00 59 D 8.31 4.37 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.37 4.02 0.00 4.00 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 61 T 8.26 3.67 4.40 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 1.37 0.00 0.00 62 A 7.78 3.60 0.27 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 63 R 7.63 3.80 0.00 1.88 1.90 0.00 3.15 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 64 V 7.38 2.81 1.09 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 -0.46 0.00 0.00 -0.12 0.00 0.00 65 L 7.79 3.87 0.00 1.72 1.68 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.88 4.12 0.00 1.96 2.04 0.00 3.19 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 67 R 7.97 3.80 0.00 1.77 1.73 0.00 2.84 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 68 L 8.17 3.98 0.00 1.77 1.72 0.97 0.76 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 69 R 7.76 3.89 0.00 1.93 2.09 0.00 3.27 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 70 R 7.76 4.07 0.00 1.94 1.97 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 71 L 8.10 4.11 0.00 1.78 1.76 0.99 0.93 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 72 A 7.70 4.04 1.30 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 0.00 0.00 0.00 *104 L 7.63 4.34 0.00 1.70 1.63 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.39 4.87 0.00 4.01 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 0.00 106 L 8.41 3.94 0.00 1.78 1.71 0.93 0.93 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 *107 E 8.43 4.02 0.00 2.01 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 1.97 0.00 *108 E 7.86 4.17 0.00 1.93 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 2.24 2.19 0.00 109 V 7.98 3.78 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 1.00 0.00 0.00 1.02 0.00 0.00 110 L 8.51 3.95 0.00 1.83 1.70 0.92 0.92 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 0.00 111 A 7.96 4.00 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 0.00 112 L 8.02 3.91 0.00 1.93 1.84 0.93 0.47 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 0.00 113 L 8.15 3.98 0.00 1.89 1.71 0.94 1.34 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 0.00 114 D 8.08 4.36 0.00 2.84 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 0.00 115 R 8.02 3.86 0.00 2.09 1.94 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 116 A 8.01 4.16 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 0.00 117 R 8.24 3.98 0.00 2.09 2.04 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 118 A 8.33 4.02 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 0.00 119 F 8.33 4.39 0.00 3.13 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 0.00 120 L 8.43 3.67 0.00 1.71 1.77 0.81 0.67 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 0.00 121 L 8.31 4.10 0.00 1.91 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.13 4.07 0.00 2.08 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 2.26 2.23 0.00 123 E 8.24 4.36 0.00 1.96 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 2.28 2.40 0.00 124 V 8.27 3.92 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 1.05 0.00 0.00 0.88 0.00 0.00 125 A 8.12 4.17 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 0.00 126 K 7.60 4.19 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 127 A 7.57 4.21 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 0.00 128 D 8.08 4.48 0.00 2.63 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 0.00 129 P 0.00 3.33 0.00 1.72 1.56 0.00 3.27 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 130 Q 8.09 4.30 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 131 N 8.10 4.19 0.00 2.68 2.79 0.00 0.00 7.13 7.30 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 0.00 132 P 0.00 4.42 0.00 2.24 2.17 0.00 3.82 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 1.99 1.96 0.00 133 A 8.42 4.40 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 0.00 134 T 8.52 5.35 4.54 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 1.37 0.00 0.00 135 F 9.59 5.05 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.89 0.00 2.04 2.12 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.62 0.00 137 H 9.48 5.00 0.00 2.43 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.28 0.00 2.26 2.24 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 139 F 8.36 4.29 0.00 2.76 2.54 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 0.00 140 F 8.01 4.50 0.00 2.84 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 0.00 141 G 7.95 3.74 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 0.00 0.00 0.00 142 E 8.79 4.43 0.00 2.00 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 2.32 2.28 0.00 143 L 8.80 4.82 0.00 1.41 1.42 0.37 0.40 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 0.00 144 N 8.38 5.80 0.00 3.29 3.11 0.00 0.00 6.73 7.76 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 0.00 145 P 0.00 4.53 0.00 2.32 2.36 0.00 3.86 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 146 L 8.44 4.59 0.00 2.19 2.04 1.20 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.42 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 W 8.49 4.25 0.00 3.66 3.37 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 0.00 149 L 8.37 3.89 0.00 1.38 1.53 0.60 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.20 3.67 0.00 1.91 1.84 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 *151 A 7.80 4.25 1.29 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 0.00 152 A 8.33 4.07 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 0.00 153 A 8.12 3.92 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 0.00 154 Y 8.35 4.29 0.00 2.91 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 0.00 155 H 8.55 3.96 0.00 3.42 3.51 0.00 5.64 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 0.00 156 E 8.31 3.91 0.00 2.12 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 2.31 2.33 0.00 157 A 8.09 3.98 1.47 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 0.00 0.00 158 H 8.41 3.89 0.00 2.70 3.16 0.00 5.78 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 0.00 159 H 8.07 4.22 0.00 3.19 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.19 3.93 0.00 1.80 1.91 0.96 0.74 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 0.00 161 K 8.46 4.09 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.33 7.81 162 A 7.72 3.99 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 0.00 163 L 8.06 4.26 0.00 1.96 1.96 0.93 0.73 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 0.00 164 Q 8.54 4.00 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 165 A 8.12 4.15 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 0.00 166 S 8.01 4.60 0.00 4.44 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.