NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3151 8.3001 120.3229 54.5755 34.3660 175.3222 2 A 4.2908 7.7665 122.1941 50.4827 20.2685 174.3098 3 D 4.3086 9.1513 120.3506 54.8237 41.2876 170.8620 4 E 4.7918 7.9925 115.9818 55.3114 32.8381 174.2180 5 E 4.7591 8.3256 121.5191 55.4500 30.1549 176.2847 6 K 4.0845 8.1184 117.7889 57.4698 32.9352 177.4092 7 L 4.1909 8.1341 121.5550 53.4778 42.4602 175.4134 8 P 4.5702 0.0000 0.0000 61.2315 32.1603 174.0632 9 P 4.4186 0.0000 0.0000 64.8303 31.4922 177.0886 10 G 3.5412 9.0392 111.4876 44.7201 0.0000 172.8816 11 W 4.9835 7.6791 119.3468 56.4917 29.9830 175.5796 12 E 4.8858 9.5424 123.5098 54.6883 33.3290 173.5257 13 K 4.4418 8.6619 125.8895 55.7402 33.4145 175.6965 14 R 4.6383 8.4132 125.3637 54.5948 35.1031 173.2567 15 M 5.1154 8.3839 119.4071 53.7669 32.9979 175.6362 16 S 4.4984 9.5306 121.1515 57.9167 64.2660 175.2844 17 A 4.2420 8.7515 123.8767 54.8832 17.9551 178.2100 18 D 4.6090 7.8180 114.4807 53.8910 39.6219 177.5485 *20 G 4.0633 7.8479 104.8821 46.0514 0.0000 172.6476 21 R 4.8928 8.4394 120.5629 53.7479 33.3039 175.1646 22 V 4.4488 8.5795 125.5161 63.5608 32.5912 174.1648 23 Y 5.0651 8.7509 123.9388 56.1688 42.3437 172.7155 24 Y 5.1595 9.4495 116.5594 56.1398 41.4018 175.0022 25 F 5.4912 9.4766 125.5368 56.4463 43.1270 172.9664 26 N 4.4626 7.5772 124.8043 51.6831 39.8477 174.5796 27 H 4.1689 8.4205 122.1188 56.8044 28.6782 176.1634 28 I 4.0960 7.8600 120.5467 63.0022 38.1626 176.7990 29 T 4.0489 7.4784 108.3321 61.0885 69.8724 175.3917 30 N 4.1522 7.9243 118.7861 53.7651 36.8068 173.4787 31 A 4.5979 7.0592 120.3171 51.9407 19.8762 177.5915 32 S 5.6471 8.6358 115.8563 57.0304 66.5525 173.5299 33 Q 4.5868 9.4632 120.7956 54.9540 31.5547 175.7963 34 W 4.6819 8.8870 121.0990 59.8030 29.5770 177.2575 35 E 4.2035 8.2979 117.8422 55.5625 29.4129 176.6040 36 R 2.5100 8.4469 124.1084 55.4411 30.3736 175.1777 37 P 3.6891 0.0000 0.0000 63.9241 31.2375 175.3428 38 S 4.2021 7.3024 113.1496 57.8395 66.4208 174.1493 39 G 3.9234 8.2965 107.0707 46.0757 0.0000 173.6173 *49 Q 3.9452 7.4979 116.8611 55.7846 30.3722 175.0156 50 G 3.9100 8.4647 114.4088 44.3795 0.0000 172.2994 51 E 4.3765 8.3093 118.2197 54.3327 30.7262 174.6335 52 P 4.4584 0.0000 0.0000 62.5990 31.8679 176.5062 53 A 4.2367 8.4998 122.3932 54.8572 18.8157 177.6918 54 R 5.0289 7.4997 113.3853 55.6097 33.1778 174.5703 55 V 4.3147 7.8951 115.9781 59.4930 36.6993 174.0450 56 R 4.8631 8.0406 121.7992 53.9820 32.6617 174.2466 57 C 5.4908 8.7731 122.2590 58.1213 33.1660 172.8333 58 S 5.5390 9.0182 115.5629 57.3913 65.9970 172.4326 59 H 5.8735 9.3521 115.6051 54.6428 32.1984 172.3785 60 L 4.5791 9.2306 121.2213 53.2521 44.6533 174.5970 61 L 5.0782 8.7622 128.9889 53.2814 44.7406 175.0875 62 V 4.6567 8.6256 126.0819 61.1285 33.7185 175.2413 63 K 4.6589 9.0960 128.3416 56.1645 33.5499 175.5456 64 H 4.9989 8.7634 116.5586 53.8645 31.6623 174.5136 65 S 4.0662 9.0207 114.6411 61.0465 62.5191 175.2999 66 Q 4.5219 8.1371 117.7894 55.5972 28.7880 175.8164 67 S 4.4222 7.8416 115.2875 58.0181 63.4056 174.6705 68 R 4.0575 8.5280 120.0864 58.8138 29.1233 177.1424 69 R 4.4638 7.4644 116.8235 53.1144 31.3994 173.9330 70 P 4.6041 0.0000 0.0000 61.1430 30.1239 176.2543 71 S 4.8550 7.3425 111.9601 58.5310 65.8036 172.7342 72 S 4.6008 8.5674 119.0343 56.8181 65.7285 175.4841 73 W 4.2871 8.8847 117.6739 58.7117 27.6994 176.9272 74 R 3.8178 6.1329 113.0653 54.9794 29.1939 175.9229 75 Q 4.2081 7.5726 115.6767 55.5680 31.1518 173.6562 76 E 3.8286 8.9909 127.3610 57.4946 29.7811 176.3280 77 K 4.3482 7.6149 118.2770 54.0825 33.2876 174.8511 78 I 3.9824 8.4799 128.4316 61.2026 37.2993 176.5022 79 T 4.5568 8.2868 113.8648 60.7920 70.2772 174.5133 80 R 4.1952 7.6982 119.8812 56.2791 30.3599 176.3800 81 T 4.4968 8.5934 111.2320 61.0747 71.1524 176.0774 82 K 3.8345 8.3837 120.2695 59.4016 31.9800 179.4444 83 E 3.9714 8.1020 118.4691 59.5871 29.4856 179.1051 84 E 3.9448 8.2417 118.3235 59.1995 29.4137 179.2899 85 A 3.9397 8.0400 120.9168 55.0927 18.4601 179.4539 86 L 3.8282 8.1540 119.0576 58.1857 42.1526 178.9523 87 E 3.9100 8.1805 118.5776 59.4057 29.3192 179.4008 88 L 3.5529 7.7623 118.8287 57.5711 41.6137 179.5282 89 I 3.7755 7.7464 119.7690 64.6710 37.1072 178.2246 90 N 4.4395 8.6060 117.7112 56.1859 38.2429 177.7702 91 G 3.4140 7.8352 107.1181 47.9890 0.0000 175.4420 92 Y 4.3460 7.7761 119.6679 60.7546 37.7912 178.6958 93 I 3.8061 8.0645 120.8709 64.5212 37.2638 178.2714 94 Q 3.9985 8.2504 120.3580 59.1446 28.7260 178.4520 95 K 4.2259 8.3793 119.7116 59.4623 31.8704 179.5096 96 I 4.2589 7.9906 121.5210 64.0017 36.8866 178.7269 97 K 4.0985 8.1765 118.4280 59.3236 31.8989 179.3078 98 S 4.3461 8.0437 114.1866 59.6994 63.1528 175.4315 99 G 4.0865 7.8558 109.6808 44.8817 0.0000 174.1772 100 E 4.1670 7.9519 117.3496 58.3569 30.0559 176.6682 101 E 4.8533 8.1475 118.2477 53.7308 34.0074 173.7447 102 D 5.1879 8.2587 119.5808 51.1361 43.3107 176.5635 103 F 3.8729 8.8982 123.4953 61.8689 39.3203 177.3155 104 E 4.0926 8.4979 117.2976 59.7275 29.1796 179.4919 105 S 4.0892 8.8966 115.3216 61.6827 62.9378 176.8591 106 L 4.0106 7.8516 121.3142 57.5163 41.3385 179.4718 107 A 3.7900 7.9708 121.2517 55.1207 18.1436 179.9060 108 S 4.2282 7.9985 111.4516 60.9879 62.9872 175.5828 109 Q 4.1917 7.4328 121.8414 56.6313 29.5017 175.8256 110 F 4.8926 7.9719 115.4538 56.9022 40.8520 175.5749 111 S 4.4206 8.0324 117.2791 58.4110 62.5795 173.9174 112 D 4.4812 9.2136 126.8788 54.7849 40.8941 175.6590 113 C 4.7601 7.5827 120.4019 57.8076 33.1102 174.7827 114 S 4.1077 8.7007 121.7433 61.1291 62.3417 176.3600 115 S 4.2424 8.1303 114.9931 59.9830 62.1259 175.2279 116 A 3.9349 8.0846 123.7169 55.7501 17.7841 179.6198 117 K 3.7259 7.6798 115.9779 58.4403 32.2525 177.5809 118 A 4.5983 7.9427 121.5991 51.7226 19.3066 176.9102 119 R 3.5735 8.8282 115.6036 58.8035 28.2395 178.0721 120 G 4.0961 8.3028 106.9249 45.2234 0.0000 173.8165 121 D 4.6451 7.8004 119.9031 54.6357 41.4177 175.7794 122 L 4.4690 8.8696 125.5177 53.8552 42.5432 177.6363 123 G 3.8221 8.5101 108.5751 44.4172 0.0000 172.2613 124 A 4.7620 8.2701 119.7804 51.4769 20.1913 176.9773 125 F 5.1269 8.4939 114.2242 56.2009 41.9250 173.0988 126 S 5.5456 9.7638 115.8160 56.3632 66.4291 174.1214 127 R 4.1636 8.3357 119.6017 57.9070 30.1140 177.6141 128 G 3.9807 10.0951 110.0058 45.8676 0.0000 174.0921 129 Q 4.5471 7.6709 116.7826 55.4705 30.7775 175.1747 130 M 4.6631 7.6077 115.5341 52.3158 35.6750 175.6792 131 Q 4.0854 8.2162 118.8312 55.8382 30.6028 177.4015 132 K 3.8674 8.8280 125.3463 59.7327 32.2181 177.1520 133 P 4.3994 0.0000 0.0000 65.4750 31.1639 178.4679 134 F 3.9646 8.2070 119.1074 61.0861 39.4327 176.6609 135 E 4.3484 8.7431 119.2670 59.5782 29.2922 178.4048 136 D 4.4387 8.4800 117.6883 57.4191 41.3392 178.4605 137 A 4.0529 7.9107 120.9126 55.2674 18.0624 179.7054 138 S 3.9304 8.1771 113.8943 61.8385 62.7965 176.6260 139 F 4.1420 8.4120 117.1133 58.5968 38.9528 176.5523 140 A 4.4511 7.5808 119.1326 51.4847 19.7113 177.1724 141 L 4.2656 6.8530 117.1552 54.0956 42.8052 176.7759 142 R 4.5284 8.7961 121.0428 54.3784 32.0675 176.2174 143 T 3.8834 8.1865 116.0985 65.6749 68.6072 175.0928 144 G 3.9393 9.0672 115.2904 45.1435 0.0000 173.3788 145 E 4.4285 8.0553 119.5873 55.9986 31.1796 175.1666 146 M 5.2218 8.4058 121.6207 53.7381 34.9213 175.5663 147 S 4.3812 9.2042 121.2196 58.2504 64.8514 172.9995 148 G 4.6596 8.1751 107.4674 44.0023 0.0000 171.1543 149 P 4.7217 0.0000 0.0000 62.7388 32.1633 176.2063 150 V 4.5785 8.9232 125.1615 61.1753 34.0061 174.0843 151 F 5.3129 9.3748 127.1129 56.6392 40.3343 175.2375 152 T 4.8772 9.0134 112.6905 59.8195 72.1903 174.3655 153 D 4.5317 8.9127 120.2709 56.9490 40.8991 179.3452 154 S 4.2443 8.1748 115.3449 59.0419 63.9919 175.4529 155 G 3.8487 6.3868 108.8472 45.8257 0.0000 170.9624 156 I 4.6671 7.8602 123.7416 59.7334 39.9935 174.8631 157 H 5.6281 9.5444 123.2132 54.0937 32.8243 172.8503 158 I 4.8897 8.6910 120.6741 59.7456 40.3334 174.6429 159 I 4.9797 9.0813 128.1198 59.3068 40.2236 174.2993 160 L 4.7750 8.6281 128.5764 53.0290 44.5952 174.9893 161 R 4.5927 8.6640 128.0988 56.0810 30.5177 176.5560 162 T 4.3201 8.7684 117.0721 62.3728 70.6022 174.8133 163 E 4.1516 7.7147 125.6702 56.6451 30.6383 174.6550 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.32 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 A 7.77 4.29 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 3 D 9.15 4.31 0.00 2.77 2.71 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 0.00 0.00 0.00 4 E 7.99 4.79 0.00 1.93 1.82 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 2.26 2.24 0.00 5 E 8.33 4.76 0.00 2.00 1.91 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 2.14 2.27 0.00 6 K 8.12 4.08 0.00 1.77 1.81 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 7 L 8.13 4.19 0.00 1.74 1.73 1.20 1.03 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 8 P 0.00 4.57 0.00 2.51 2.07 0.00 3.44 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 1.93 2.04 0.00 9 P 0.00 4.42 0.00 2.06 2.05 0.00 3.77 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 2.07 2.15 0.00 10 G 9.04 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 0.00 0.00 0.00 11 W 7.68 4.98 0.00 3.34 3.15 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 0.00 12 E 9.54 4.89 0.00 2.11 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 2.24 2.32 0.00 13 K 8.66 4.44 0.00 1.87 1.68 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.06 7.81 14 R 8.41 4.64 0.00 0.67 1.49 0.00 3.18 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 15 M 8.38 5.12 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 16 S 9.53 4.50 0.00 3.96 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 0.00 17 A 8.75 4.24 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 18 D 7.82 4.61 0.00 3.10 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 *20 G 7.85 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.44 4.89 0.00 1.76 1.77 0.00 2.21 0.00 0.00 2.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 22 V 8.58 4.45 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 0.64 0.00 0.00 0.95 0.00 0.00 23 Y 8.75 5.07 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.45 5.16 0.00 3.04 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 25 F 9.48 5.49 0.00 3.02 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 26 N 7.58 4.46 0.00 1.44 1.52 0.00 0.00 6.75 8.38 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 27 H 8.42 4.17 0.00 3.15 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.86 4.10 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.33 0.88 0.00 0.00 29 T 7.48 4.05 4.07 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 0.00 0.00 0.00 1.10 0.00 0.00 30 N 7.92 4.15 0.00 3.05 3.14 0.00 0.00 6.74 8.44 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 31 A 7.06 4.60 1.15 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 0.00 0.00 0.00 32 S 8.64 5.65 0.00 3.77 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 33 Q 9.46 4.59 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 34 W 8.89 4.68 0.00 3.43 3.29 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 35 E 8.30 4.20 0.00 1.95 1.86 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 2.36 2.43 0.00 36 R 8.45 2.51 0.00 1.54 1.50 0.00 3.10 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.00 37 P 0.00 3.69 0.00 0.72 0.49 0.00 2.62 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.00 38 S 7.30 4.20 0.00 3.91 3.79 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 39 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 *49 Q 7.50 3.95 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 50 G 8.46 3.91 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 0.00 0.00 0.00 51 E 8.31 4.38 0.00 2.25 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 2.28 2.33 0.00 52 P 0.00 4.46 0.00 2.39 2.10 0.00 4.02 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 2.14 1.92 0.00 53 A 8.50 4.24 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 54 R 7.50 5.03 0.00 1.83 1.74 0.00 3.20 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.75 0.00 55 V 7.90 4.31 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.46 0.00 0.00 56 R 8.04 4.86 0.00 1.76 1.73 0.00 3.15 0.00 0.00 3.36 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 57 C 8.77 5.49 0.00 3.24 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 58 S 9.02 5.54 0.00 4.01 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 59 H 9.35 5.87 0.00 3.65 3.64 0.00 5.50 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.23 4.58 0.00 1.19 1.38 0.37 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.76 5.08 0.00 1.73 1.43 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.63 4.66 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 0.93 0.00 0.00 1.09 0.00 0.00 63 K 9.10 4.66 0.00 1.62 1.66 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.34 7.81 64 H 8.76 5.00 0.00 3.42 3.36 0.00 5.47 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 65 S 9.02 4.07 0.00 3.96 4.07 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 0.00 0.00 0.00 0.00 66 Q 8.14 4.52 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 67 S 7.84 4.42 0.00 3.84 3.78 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 R 8.53 4.06 0.00 1.92 2.08 0.00 3.00 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 69 R 7.46 4.46 0.00 1.76 1.86 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 70 P 0.00 4.60 0.00 2.20 2.22 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 71 S 7.34 4.86 0.00 3.86 3.68 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 72 S 8.57 4.60 0.00 4.12 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.88 4.29 0.00 3.58 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 6.13 3.82 0.00 1.22 0.66 0.00 2.26 0.00 0.00 3.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.06 0.00 75 Q 7.57 4.21 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 76 E 8.99 3.83 0.00 1.94 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 2.29 2.32 0.00 77 K 7.61 4.35 0.00 1.66 1.65 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.46 7.81 78 I 8.48 3.98 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.83 0.00 0.00 79 T 8.29 4.56 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 1.20 0.00 0.00 80 R 7.70 4.20 0.00 2.10 2.08 0.00 3.11 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 81 T 8.59 4.50 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 82 K 8.38 3.83 0.00 1.79 1.85 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.84 1.41 7.81 83 E 8.10 3.97 0.00 1.97 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 2.41 2.35 0.00 84 E 8.24 3.94 0.00 2.17 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 2.30 2.30 0.00 85 A 8.04 3.94 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 86 L 8.15 3.83 0.00 1.83 1.87 1.03 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 87 E 8.18 3.91 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 88 L 7.76 3.55 0.00 1.72 1.31 0.85 0.49 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 89 I 7.75 3.78 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.79 0.94 0.00 0.00 90 N 8.61 4.44 0.00 2.78 2.84 0.00 0.00 6.98 7.41 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 91 G 7.84 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 0.00 0.00 0.00 92 Y 7.78 4.35 0.00 3.11 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 93 I 8.06 3.81 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.98 0.00 0.00 94 Q 8.25 4.00 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 95 K 8.38 4.23 0.00 2.10 1.92 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.67 7.81 96 I 7.99 4.26 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 1.07 0.00 0.00 97 K 8.18 4.10 0.00 1.79 1.95 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.71 7.81 98 S 8.04 4.35 0.00 4.08 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 99 G 7.86 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.95 4.17 0.00 2.15 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 0.00 2.51 2.33 0.00 101 E 8.15 4.85 0.00 1.98 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 2.29 2.47 0.00 102 D 8.26 5.19 0.00 2.98 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 0.00 103 F 8.90 3.87 0.00 3.16 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.50 4.09 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 105 S 8.90 4.09 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.85 4.01 0.00 1.60 1.42 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.97 3.79 1.21 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 0.00 0.00 108 S 8.00 4.23 0.00 3.93 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 0.00 109 Q 7.43 4.19 0.00 1.63 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 110 F 7.97 4.89 0.00 2.70 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 0.00 111 S 8.03 4.42 0.00 3.86 3.91 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 0.00 112 D 9.21 4.48 0.00 2.75 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 0.00 113 C 7.58 4.76 0.00 3.14 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.70 4.11 0.00 3.91 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 0.00 115 S 8.13 4.24 0.00 3.95 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 0.00 116 A 8.08 3.93 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 0.00 117 K 7.68 3.73 0.00 1.60 1.73 0.00 1.42 0.00 0.00 1.24 0.00 0.00 2.71 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.25 1.38 7.81 118 A 7.94 4.60 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 0.00 119 R 8.83 3.57 0.00 2.01 2.06 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 120 G 8.30 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 0.00 0.00 0.00 121 D 7.80 4.65 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.87 4.47 0.00 1.96 1.70 0.75 1.02 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 0.00 123 G 8.51 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 0.00 0.00 0.00 124 A 8.27 4.76 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 0.00 125 F 8.49 5.13 0.00 3.33 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 0.00 126 S 9.76 5.55 0.00 3.83 3.88 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 0.00 127 R 8.34 4.16 0.00 1.64 1.72 0.00 3.20 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 128 G 10.10 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 0.00 129 Q 7.67 4.55 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 130 M 7.61 4.66 0.00 1.63 1.88 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.76 0.00 131 Q 8.22 4.09 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 132 K 8.83 3.87 0.00 1.89 1.88 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.38 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.81 7.81 133 P 0.00 4.40 0.00 2.39 2.18 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 134 F 8.21 3.96 0.00 3.01 3.13 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 0.00 135 E 8.74 4.35 0.00 2.28 2.26 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 2.46 2.69 0.00 136 D 8.48 4.44 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.91 4.05 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.18 3.93 0.00 4.19 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 0.00 139 F 8.41 4.14 0.00 3.04 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 0.00 140 A 7.58 4.45 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 0.00 141 L 6.85 4.27 0.00 1.69 1.54 0.84 0.72 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 0.00 142 R 8.80 4.53 0.00 2.02 1.83 0.00 3.15 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 143 T 8.19 3.88 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 1.20 0.00 0.00 144 G 9.07 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 0.00 145 E 8.06 4.43 0.00 2.07 1.92 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 2.36 2.36 0.00 146 M 8.41 5.22 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 147 S 9.20 4.38 0.00 4.01 3.79 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 0.00 148 G 8.18 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.72 0.00 2.22 2.08 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 150 V 8.92 4.58 2.15 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 1.09 0.00 0.00 0.99 0.00 0.00 151 F 9.37 5.31 0.00 2.88 3.07 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 0.00 0.00 0.00 0.00 152 T 9.01 4.88 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 153 D 8.91 4.53 0.00 2.91 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 0.00 154 S 8.17 4.24 0.00 3.96 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 0.00 155 G 6.39 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 0.00 0.00 0.00 156 I 7.86 4.67 1.63 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.52 0.43 0.00 0.00 157 H 9.54 5.63 0.00 3.19 3.44 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.69 4.89 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 1.25 0.00 0.00 159 I 9.08 4.98 1.69 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.61 0.67 0.00 0.00 160 L 8.63 4.78 0.00 0.35 0.52 0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.66 4.59 0.00 1.80 1.82 0.00 2.95 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 162 T 8.77 4.32 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 1.14 0.00 0.00 163 E 7.71 4.15 0.00 1.84 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 2.17 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.