NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2793 8.4444 120.2283 56.1050 30.9435 174.1713 3 I 4.0606 8.0888 120.8281 59.3173 39.0096 173.0386 4 L 4.3499 9.4109 133.7960 54.4962 43.5765 174.3826 5 Y 4.6871 8.7097 125.0020 56.9035 38.7630 174.9193 6 I 4.4706 8.2847 124.6457 58.9855 41.7642 174.4611 7 K 4.8026 8.2309 125.9086 55.5027 32.5930 175.6628 8 G 4.2212 8.1395 117.1132 46.9384 0.0000 172.3774 9 D 4.9918 8.5346 123.2142 52.0759 43.4387 176.7597 10 A 2.8966 8.8299 129.9088 54.4726 18.5719 177.7278 11 T 4.4557 8.0404 104.2965 62.2269 69.6930 174.6991 12 A 4.7847 7.6089 124.3406 50.3552 19.0020 174.8824 13 P 4.3340 0.0000 0.0000 62.7554 32.2575 177.0889 14 I 4.1111 8.7422 115.3486 60.5122 39.2910 175.6325 15 G 3.9449 8.6700 108.7223 45.3209 0.0000 171.5270 16 S 4.7471 8.1947 112.9269 56.7656 65.5251 174.1668 17 G 4.0758 8.6260 106.4208 44.9360 0.0000 173.3615 18 V 4.1035 8.0536 118.5738 63.1522 32.7427 174.8860 19 K 5.2955 9.1613 125.1836 54.6799 36.6695 175.2917 20 V 4.9325 9.4747 123.1801 61.3438 34.4628 174.1879 21 I 5.4861 9.4592 129.6536 59.7692 38.4503 174.6912 22 T 4.9833 8.4504 117.9497 60.3954 70.6306 173.4817 23 H 4.7510 8.3973 118.5107 54.5854 31.9650 172.9825 24 I 4.0835 8.1884 121.1213 60.9153 37.3673 175.3955 25 C 4.5630 8.4965 124.8992 58.3611 30.8347 172.7115 26 N 4.8887 8.4807 118.5132 51.5811 39.6335 174.0264 27 D 5.1052 8.4963 115.8370 53.6721 40.1692 178.1061 28 I 4.1985 8.6266 120.3059 61.7783 38.0360 176.9335 29 G 2.8221 8.3648 108.0663 44.6926 0.0000 173.5421 30 G 3.9467 7.9925 107.9665 44.7246 0.0000 174.8762 31 W 4.8752 8.1489 132.6257 55.8378 31.3944 173.9611 32 G 4.2014 7.9390 111.6413 43.8822 0.0000 170.8164 33 K 4.3985 8.0828 119.8222 55.7749 36.3110 176.3648 34 G 3.8703 8.5827 113.2243 46.1978 0.0000 175.5263 35 F 3.9635 8.9143 121.4979 61.4849 39.1333 177.2750 36 V 3.0056 7.5307 111.3121 64.3974 31.0415 178.3776 37 L 4.0146 7.5639 117.6902 57.6771 40.9651 179.4439 38 A 3.8214 7.5009 120.1954 54.7472 18.2690 179.5642 39 L 3.8308 7.3414 117.5857 58.0516 41.5907 179.6575 40 S 5.3024 8.0639 115.0383 60.3745 62.8320 176.1656 41 K 3.9695 7.8648 122.3759 58.6953 31.9079 178.0748 42 K 3.8125 6.9288 116.6732 56.2122 33.3824 176.9099 43 W 4.9967 7.9426 118.9172 54.6601 32.5533 175.9745 44 K 4.3575 8.4635 122.2740 56.6184 32.7043 176.9264 *46 P 4.3207 0.0000 0.0000 63.6973 33.8540 179.0228 47 E 2.0000 7.8446 117.7083 58.6109 29.2915 178.3470 48 E 3.8201 7.8830 118.7161 59.0779 29.7037 178.5650 49 A 4.0003 7.8638 120.3769 55.2311 18.4606 178.6957 50 Y 4.6214 8.0937 119.4384 60.5402 38.8689 178.4172 51 R 3.7619 8.0022 118.7724 59.6017 30.3620 179.1267 52 Q 4.0007 8.2461 117.5944 58.7284 28.5970 178.8529 53 W 4.4296 8.2960 129.5749 60.4281 30.5172 177.6153 54 Y 2.3900 7.5832 119.0261 59.9777 38.2212 177.5089 55 K 3.7339 7.9830 119.9462 59.1121 32.3324 178.5511 56 S 4.2199 7.8575 113.4543 58.8504 63.1979 174.3711 57 Q 3.2358 7.2676 118.8704 56.6492 25.8018 173.9538 58 E 4.3256 8.0234 118.7605 55.9922 28.3611 176.1139 59 E 3.9508 8.8117 121.4754 57.0279 26.9066 175.4650 60 F 3.5421 7.5590 122.9941 57.4539 38.0635 174.3575 61 T 4.4379 7.3123 120.1444 59.7591 70.3111 172.7886 62 L 4.2409 8.2289 125.3005 56.7034 41.8933 177.6913 63 G 3.9551 9.1856 112.3195 45.3109 0.0000 173.8277 64 A 4.4296 7.5292 121.7477 51.8954 19.2680 176.7308 65 V 4.6124 8.0801 118.4442 61.2533 34.5870 174.1591 66 Q 4.1760 8.5921 128.5635 54.0611 31.4455 173.8681 67 F 4.9341 8.5186 123.9327 55.6104 41.7869 175.0155 68 V 4.3044 8.6577 122.3750 61.1721 34.5070 174.3125 69 N 4.4741 8.9598 127.1829 52.8351 37.5488 174.3796 70 V 3.6430 7.5291 118.6960 62.6672 32.3655 175.6996 71 E 4.4519 7.3769 119.1261 54.3983 32.7800 173.0940 72 N 4.2637 8.6396 119.7650 54.8904 38.9741 174.0890 73 K 3.9961 8.8184 124.9247 57.1317 29.7418 174.6140 74 L 5.2661 7.8982 120.2561 53.8081 45.5305 174.4451 75 Y 4.9872 9.3310 123.4078 56.2443 42.3230 174.4530 76 V 4.6036 8.8402 123.0766 61.4139 33.9859 174.5639 77 A 4.7086 9.7024 130.3730 50.1896 20.6496 175.8760 78 N 4.5603 8.6367 119.6272 53.7951 41.0296 175.1297 *80 I 4.4458 7.6175 119.3778 61.0611 37.8806 176.0056 81 G 4.1617 8.0787 110.5831 45.3369 0.0000 168.7565 82 Q 4.8459 7.8351 121.1762 54.1371 32.4456 173.5049 83 H 5.1992 8.9579 127.7409 54.6853 30.1101 175.5024 84 G 3.2818 9.6489 118.5971 45.6088 0.0000 172.3651 85 I 4.4381 6.9482 116.2147 61.1053 41.5964 174.8932 86 Y 4.5524 6.4822 118.9794 55.9564 39.9198 174.3078 87 K 4.6129 8.7005 119.6377 54.9045 35.1913 175.7024 88 D 4.6820 8.9233 124.0083 53.2796 39.5504 178.0011 89 S 4.5230 8.4647 109.6815 58.6469 62.0121 175.1125 90 K 4.5254 8.5052 117.0045 56.9494 34.0963 176.3920 91 G 3.8074 8.2314 105.6419 46.5513 0.0000 173.8869 92 L 4.4492 8.3708 122.8176 52.1267 42.3148 174.4042 93 P 4.4047 0.0000 0.0000 62.0166 31.9382 175.2040 94 P 4.2937 0.0000 0.0000 65.1505 31.5054 176.5402 95 I 3.6952 7.1777 119.2034 60.8758 38.3271 175.5138 96 R 4.3648 8.3918 126.3935 54.0671 31.1120 175.9450 97 Y 4.2193 8.1965 122.1786 61.1391 38.0592 178.2314 98 D 4.4575 8.2110 119.0654 56.8543 40.9275 178.5333 99 A 3.9926 7.7751 121.2534 55.0920 18.6211 179.6127 100 V 3.5868 7.9930 116.9100 66.0077 31.4443 178.4600 101 R 3.9030 8.0183 117.8937 59.3129 29.9184 178.9590 102 Q 3.9836 7.9163 117.1860 59.2097 28.7677 178.3382 103 C 3.9834 8.3750 118.0525 63.2537 28.1910 176.5112 104 L 4.0184 8.4130 120.4449 57.6742 41.3545 179.3935 105 K 3.8070 8.4754 120.0393 59.6232 31.9037 178.3072 106 E 4.2068 8.4384 119.5020 58.8382 29.5176 178.8315 107 V 3.8624 8.0722 118.5113 65.6029 31.5633 177.4594 108 A 4.0378 8.7684 121.2161 55.7035 18.2123 179.7788 109 L 4.0002 7.6645 115.5645 57.6028 41.6309 179.7153 110 F 3.8537 7.9937 121.2190 61.3287 39.2154 177.3357 111 T 3.9716 8.5021 109.9682 64.8725 68.6392 176.5989 112 I 3.6309 7.7984 122.4404 64.1015 36.9423 178.3267 113 A 3.9232 7.7405 120.2995 54.4844 18.1345 178.3877 114 H 4.4645 7.5388 111.9326 54.2204 29.1094 174.7106 115 K 3.7474 7.5339 117.8844 57.1485 30.2056 175.0386 116 A 4.6802 7.9066 120.7505 51.4725 20.2002 177.3610 117 S 4.7667 8.9790 111.9885 56.7427 66.1760 172.9976 118 V 4.8175 8.6232 126.0387 62.1196 33.2555 174.3836 119 H 5.9463 9.4714 123.9044 52.6138 33.3191 171.4421 *121 P 4.7679 0.0000 0.0000 62.8234 32.5342 177.2136 122 R 3.9919 7.9233 114.6571 55.3126 27.6860 176.0286 123 I 3.6685 7.5344 112.2472 62.6329 38.6856 175.2648 124 G 4.2904 9.1239 112.4898 46.1412 0.0000 173.7352 125 C 4.5024 7.6124 116.9996 58.3118 30.2733 171.0856 126 G 4.1174 9.3397 116.3864 45.8769 0.0000 174.1497 *128 A 4.0296 8.9038 125.3403 52.1997 21.0156 180.2019 129 G 3.9827 8.1821 102.5459 45.1496 0.0000 174.2296 130 G 3.9300 7.1894 107.6449 45.8161 0.0000 172.9493 131 K 4.6228 8.7673 120.6234 54.1180 35.0313 176.8228 132 W 4.3841 9.4021 135.0000 60.7208 30.9092 176.4941 133 E 4.0947 8.5840 116.6824 59.7014 29.0595 178.3374 134 L 4.0302 7.5447 116.5949 55.2135 41.6226 178.5373 *136 E 3.6039 8.2885 121.5880 56.1328 31.3084 177.8307 137 Q 3.9175 7.7201 117.6016 58.7755 28.5489 178.7701 138 I 3.6010 7.4517 120.2674 64.5161 37.2285 178.0887 139 I 3.6117 7.6161 120.0044 64.4076 36.9078 177.9889 140 K 3.8396 7.8731 120.0959 59.7227 31.8882 178.5631 141 E 3.9599 8.4250 118.8221 58.6479 29.6158 177.7694 142 E 4.4237 8.2438 117.1851 56.7023 30.5657 176.7039 143 L 4.5890 8.0943 116.9971 56.4024 43.7670 178.9297 144 I 3.7348 7.6461 118.8315 64.6154 36.7992 178.5166 145 T 3.9780 7.7791 115.9286 65.6873 68.1928 175.1966 146 K 4.3899 7.6789 117.8613 55.4011 32.4527 175.9957 147 E 3.8554 7.7728 116.7042 57.4951 27.4208 174.7129 148 I 4.4305 7.7113 117.8240 59.7200 39.0483 176.9764 149 A 4.1496 8.6046 128.6655 52.1182 19.6723 176.2880 150 V 4.7132 8.3879 121.7336 61.3425 35.0377 174.1924 151 T 4.8057 8.7276 124.0180 61.7512 71.8516 173.1367 152 V 4.1414 8.0808 127.4981 62.1622 33.3789 174.3349 153 Y 5.0642 8.8283 125.2186 56.7530 40.1305 173.4619 154 D 5.4407 8.3459 128.1178 52.0610 43.1800 176.2368 155 L 4.1302 8.2573 119.6262 56.0778 42.1676 176.3106 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 2 E 8.44 4.28 0.00 2.00 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 2.25 2.33 0.00 3 I 8.09 4.06 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.76 1.04 0.00 0.00 4 L 9.41 4.35 0.00 1.77 1.43 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.71 4.69 0.00 2.83 2.85 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 6 I 8.28 4.47 1.66 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 1.13 1.42 0.11 0.00 0.00 7 K 8.23 4.80 0.00 1.67 1.75 0.00 1.84 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.41 7.81 8 G 8.14 4.22 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 0.00 9 D 8.53 4.99 0.00 2.75 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 10 A 8.83 2.90 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.04 4.46 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 12 A 7.61 4.78 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 13 P 0.00 4.33 0.00 1.94 1.89 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 14 I 8.74 4.11 1.97 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 1.33 0.75 1.06 0.00 0.00 15 G 8.67 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 16 S 8.19 4.75 0.00 3.99 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 17 G 8.63 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 0.00 0.00 0.00 0.00 18 V 8.05 4.10 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 1.22 0.00 0.00 1.06 0.00 0.00 19 K 9.16 5.30 0.00 1.76 1.63 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.65 7.81 20 V 9.47 4.93 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 1.10 0.00 0.00 1.14 0.00 0.00 21 I 9.46 5.49 1.96 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 1.14 1.09 1.17 0.00 0.00 22 T 8.45 4.98 4.22 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 1.23 0.00 0.00 23 H 8.40 4.75 0.00 2.92 3.06 0.00 5.55 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 24 I 8.19 4.08 1.80 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 1.29 0.52 0.84 0.00 0.00 25 C 8.50 4.56 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.48 4.89 0.00 2.78 2.77 0.00 0.00 6.00 8.06 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 27 D 8.50 5.11 0.00 3.02 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 I 8.63 4.20 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.97 0.00 0.00 29 G 8.36 2.82 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 0.00 0.00 0.00 30 G 7.99 3.95 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 0.00 0.00 0.00 31 W 8.15 4.88 0.00 3.48 2.98 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 32 G 7.94 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 0.00 0.00 0.00 33 K 8.08 4.40 0.00 1.64 1.57 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.40 7.81 34 G 8.58 3.87 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 0.00 0.00 0.00 35 F 8.91 3.96 0.00 3.06 2.98 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 36 V 7.53 3.01 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 0.00 0.00 -0.37 0.00 0.00 0.44 0.00 0.00 37 L 7.56 4.01 0.00 1.76 1.66 0.92 0.72 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 38 A 7.50 3.82 0.98 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 39 L 7.34 3.83 0.00 2.14 2.03 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.06 5.30 0.00 4.10 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 41 K 7.86 3.97 0.00 1.76 1.89 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.38 7.81 42 K 6.93 3.81 0.00 0.79 0.74 0.00 0.65 0.00 0.00 0.94 0.00 0.00 2.94 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.86 0.88 7.81 43 W 7.94 5.00 0.00 3.40 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 44 K 8.46 4.36 0.00 1.98 2.03 0.00 1.44 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.57 7.81 *46 P 0.00 4.32 0.00 2.48 2.40 0.00 3.96 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 47 E 7.84 2.00 0.00 1.35 1.71 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 0.00 1.83 1.47 0.00 48 E 7.88 3.82 0.00 2.18 1.88 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 2.28 2.35 0.00 49 A 7.86 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.09 4.62 0.00 3.28 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 51 R 8.00 3.76 0.00 2.01 1.96 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 52 Q 8.25 4.00 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 53 W 8.30 4.43 0.00 3.54 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 54 Y 7.58 2.39 0.00 1.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.98 3.73 0.00 1.71 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.34 7.81 56 S 7.86 4.22 0.00 4.14 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 57 Q 7.27 3.24 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 58 E 8.02 4.33 0.00 2.20 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 2.36 0.00 59 E 8.81 3.95 0.00 2.43 2.30 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 2.30 2.40 0.00 60 F 7.56 3.54 0.00 2.65 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 61 T 7.31 4.44 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 1.28 0.00 0.00 62 L 8.23 4.24 0.00 1.62 1.57 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.19 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 0.00 0.00 0.00 64 A 7.53 4.43 1.53 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 0.00 0.00 65 V 8.08 4.61 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 0.01 0.00 0.00 0.94 0.00 0.00 66 Q 8.59 4.18 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 67 F 8.52 4.93 0.00 2.89 2.78 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 0.00 0.00 0.00 0.00 68 V 8.66 4.30 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 0.97 0.00 0.00 0.94 0.00 0.00 69 N 8.96 4.47 0.00 2.61 2.63 0.00 0.00 7.23 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 70 V 7.53 3.64 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 0.00 0.00 0.29 0.00 0.00 -0.44 0.00 0.00 71 E 7.38 4.45 0.00 1.91 1.71 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 0.00 2.25 2.28 0.00 72 N 8.64 4.26 0.00 2.68 2.75 0.00 0.00 6.99 6.68 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 73 K 8.82 4.00 0.00 2.05 1.94 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.43 7.81 74 L 7.90 5.27 0.00 1.66 1.42 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 9.33 4.99 0.00 2.93 2.82 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 76 V 8.84 4.60 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 1.09 0.00 0.00 0.61 0.00 0.00 77 A 9.70 4.71 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 78 N 8.64 4.56 0.00 2.83 3.10 0.00 0.00 6.72 7.03 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 *80 I 7.62 4.45 1.78 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 1.07 0.20 0.62 0.00 0.00 81 G 8.08 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 82 Q 7.84 4.85 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 83 H 8.96 5.20 0.00 3.07 3.24 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.65 3.28 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 0.00 85 I 6.95 4.44 1.85 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 1.43 0.36 0.87 0.00 0.00 86 Y 6.48 4.55 0.00 3.06 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 87 K 8.70 4.61 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.47 7.81 88 D 8.92 4.68 0.00 2.94 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 89 S 8.46 4.52 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 4.53 0.00 1.70 1.80 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.40 7.81 91 G 8.23 3.81 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 0.00 0.00 0.00 92 L 8.37 4.45 0.00 1.60 2.09 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.40 0.00 2.05 1.97 0.00 3.76 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 94 P 0.00 4.29 0.00 2.02 2.18 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 95 I 7.18 3.70 1.79 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.51 0.00 0.00 96 R 8.39 4.36 0.00 1.87 1.77 0.00 3.31 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 97 Y 8.20 4.22 0.00 3.01 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 98 D 8.21 4.46 0.00 2.70 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 99 A 7.78 3.99 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 0.00 100 V 7.99 3.59 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 101 R 8.02 3.90 0.00 2.15 1.97 0.00 3.20 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 1.65 1.86 0.00 102 Q 7.92 3.98 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 103 C 8.38 3.98 0.00 3.12 2.98 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 0.00 104 L 8.41 4.02 0.00 1.64 1.73 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.48 3.81 0.00 2.02 2.02 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.48 7.81 106 E 8.44 4.21 0.00 2.33 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 2.39 2.56 0.00 107 V 8.07 3.86 2.30 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 1.12 0.00 0.00 1.04 0.00 0.00 108 A 8.77 4.04 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 0.00 109 L 7.66 4.00 0.00 1.82 1.73 0.94 0.97 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 0.00 110 F 7.99 3.85 0.00 2.61 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 0.00 111 T 8.50 3.97 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 1.42 0.00 0.00 112 I 7.80 3.63 1.84 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 1.69 1.37 0.87 0.00 0.00 113 A 7.74 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.54 4.46 0.00 2.70 3.09 0.00 6.00 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.53 3.75 0.00 1.85 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 116 A 7.91 4.68 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.98 4.77 0.00 3.97 3.86 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 0.00 118 V 8.62 4.82 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 0.95 0.00 0.00 0.99 0.00 0.00 119 H 9.47 5.95 0.00 3.17 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 P 0.00 4.77 0.00 1.98 1.75 0.00 3.14 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 122 R 7.92 3.99 0.00 1.72 1.69 0.00 2.86 0.00 0.00 2.71 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.28 0.00 123 I 7.53 3.67 1.88 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 1.54 0.71 0.89 0.00 0.00 124 G 9.12 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 7.61 4.50 0.00 3.12 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 0.00 126 G 9.34 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 A 8.90 4.03 1.38 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 0.00 129 G 8.18 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 0.00 130 G 7.19 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 0.00 0.00 0.00 131 K 8.77 4.62 0.00 1.80 1.72 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.45 7.81 132 W 9.40 4.38 0.00 3.40 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 0.00 133 E 8.58 4.09 0.00 1.98 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 2.43 0.00 134 L 7.54 4.03 0.00 1.47 1.01 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 *136 E 8.29 3.60 0.00 1.23 1.67 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 2.18 2.29 0.00 137 Q 7.72 3.92 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 138 I 7.45 3.60 1.78 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 1.71 0.85 0.89 0.00 0.00 139 I 7.62 3.61 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.88 0.00 0.00 140 K 7.87 3.84 0.00 1.95 1.91 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 141 E 8.43 3.96 0.00 1.94 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 2.30 2.33 0.00 142 E 8.24 4.42 0.00 2.03 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 2.38 2.47 0.00 143 L 8.09 4.59 0.00 1.73 1.65 0.93 0.73 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 I 7.65 3.73 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 1.62 1.04 0.91 0.00 0.00 145 T 7.78 3.98 4.36 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 1.21 0.00 0.00 146 K 7.68 4.39 0.00 1.74 1.81 0.00 1.91 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 147 E 7.77 3.86 0.00 2.10 2.00 0.00 0.00 0.00 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 2.26 0.00 148 I 7.71 4.43 1.99 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 1.18 0.68 0.94 0.00 0.00 149 A 8.60 4.15 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 4.71 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 0.99 0.00 0.00 0.96 0.00 0.00 151 T 8.73 4.81 4.26 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 152 V 8.08 4.14 1.61 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 0.86 0.00 0.00 1.02 0.00 0.00 153 Y 8.83 5.06 0.00 2.97 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 0.00 154 D 8.35 5.44 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.26 4.13 0.00 1.57 1.50 0.94 0.79 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 * Residues marked with a * may have inaccurate shift predictions.