NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5514 8.3644 120.1892 53.8484 42.4460 174.0881 12 Y 3.8744 8.5850 119.9354 57.6026 38.9870 174.2195 13 L 4.3704 8.1412 127.8140 52.7989 44.6085 176.5506 14 E 3.9022 8.1361 122.7115 55.1513 31.5556 177.8185 15 W 4.1707 8.4578 120.6659 59.8278 29.0779 177.0468 16 P 4.3707 0.0000 0.0000 65.7351 30.8361 178.5461 17 E 4.1457 8.2997 116.9148 59.4678 29.4673 178.5151 18 Y 3.9653 7.9716 119.5770 60.8102 38.9602 178.3517 19 F 4.0632 7.7725 118.7962 60.6345 38.8740 177.4002 20 M 4.0163 7.7261 117.6947 58.5143 31.9054 178.1063 21 A 4.0170 8.1110 121.1940 54.9642 18.4396 179.8403 22 V 3.3991 7.5788 116.6308 65.9583 31.6094 177.9252 23 A 4.0140 7.8205 120.1072 55.5327 17.9986 179.7328 24 F 3.8597 8.3242 114.8379 60.2295 39.2526 177.4502 25 L 4.1261 8.4465 120.5142 58.4154 41.8999 179.1418 26 S 4.0557 8.5182 115.2002 61.6713 62.7751 176.3443 27 A 4.1037 8.0954 123.2716 55.6150 17.7786 179.3828 28 Q 4.0904 7.7112 114.4500 57.9812 28.8804 178.1609 29 R 3.8489 7.4415 118.3654 56.5663 30.4800 176.7529 30 S 4.3206 7.1684 114.4416 58.2223 62.8116 173.9289 31 K 4.2773 8.5330 125.3199 56.5679 32.5848 176.3595 32 D 4.4399 7.6803 120.6759 53.5961 41.2488 174.3756 33 P 4.4604 0.0000 0.0000 64.9566 32.0082 177.0301 34 N 4.6071 8.5596 116.3481 54.9676 39.0822 175.6307 35 S 4.4746 7.9151 110.9624 56.8173 65.3600 172.8429 36 Q 4.6514 8.6591 126.0980 54.1695 30.6702 174.7673 37 V 4.3673 9.5685 123.4430 60.8495 35.1272 174.5620 38 G 4.6392 8.3284 112.0364 44.6027 0.0000 170.9527 39 A 5.3399 8.8444 120.8682 50.5043 23.4514 175.0823 40 C 5.0820 9.3892 120.8443 58.0191 35.3161 172.6357 41 I 4.8743 9.1901 127.7274 59.6654 39.2948 174.8768 42 V 4.7000 8.8614 126.6148 60.9495 34.7960 175.3098 43 N 4.8806 8.7813 125.7396 51.3080 38.8566 175.9845 44 S 4.1026 8.4786 112.1703 61.0548 62.8681 174.7116 45 E 4.3999 8.1930 118.8057 55.7174 29.2896 175.2157 46 N 3.9253 7.5831 114.0240 53.9953 36.7512 174.3414 47 K 4.3832 8.1271 117.0260 55.0557 33.3290 176.6376 48 I 4.1344 8.4276 124.7408 61.6937 37.4726 176.0847 49 V 4.2851 8.6921 118.6873 61.2920 33.6637 175.8686 50 G 4.4294 7.4575 105.1883 45.3358 0.0000 172.5757 51 I 5.2167 8.2631 123.7103 59.4444 41.4867 174.5914 52 G 4.2776 9.0507 111.8292 45.1792 0.0000 170.8584 53 Y 5.5852 7.6102 117.8819 54.8700 41.5154 174.2385 54 N 4.7112 8.7377 117.8868 52.8635 38.4116 175.6651 55 G 3.9782 8.3312 107.5948 46.6033 0.0000 172.4848 56 M 4.4498 8.5617 119.1032 53.5413 33.1975 174.4477 57 P 4.3998 0.0000 0.0000 62.2629 32.1667 175.9848 58 N 4.2039 8.4980 118.0994 55.2988 38.8000 175.4407 59 G 3.8354 8.9909 109.7632 46.1158 0.0000 172.1174 60 C 4.5484 7.2860 116.2393 57.1868 31.4865 173.7172 *64 V 3.7810 8.0378 118.8109 62.6543 30.8400 174.8414 65 L 3.9986 8.2405 127.6739 53.6436 41.3757 175.7750 66 P 4.1257 0.0000 0.0000 63.0193 32.0823 176.1390 67 W 4.0052 8.6106 115.9397 58.2029 26.7167 176.8278 68 R 3.9970 7.7396 121.7491 59.6830 29.4236 178.5312 69 R 4.2880 7.9208 118.8179 58.9171 30.1003 179.0261 70 T 3.8480 7.9807 114.9121 66.6290 68.3619 176.4560 71 A 3.9803 8.0524 121.4636 55.0278 18.5158 179.1557 72 E 4.2807 8.4910 118.7466 59.1667 29.3483 179.4676 73 N 4.3573 7.8139 114.9738 56.1329 38.7409 177.0821 74 K 4.0908 7.6596 116.2365 57.0947 32.3813 176.6639 *77 T 3.9713 7.0634 114.0096 61.9525 68.0654 173.9828 78 K 4.1210 7.9019 122.6007 56.8655 32.9764 176.7424 79 Y 4.9501 7.5750 116.7021 55.9998 38.1344 174.5619 80 P 4.2412 0.0000 0.0000 64.8429 32.3626 177.6586 81 Y 4.8209 7.5950 114.9300 58.3609 39.1432 176.3123 82 V 4.0373 7.2480 120.0093 62.1097 32.2861 175.4724 83 C 4.8207 9.6626 122.1731 58.3202 30.6248 173.3269 84 H 4.7674 8.7994 120.4627 55.2592 29.6232 176.1050 85 A 3.9740 8.9224 123.2431 55.9050 17.9096 180.2702 86 E 3.8792 8.0779 116.1565 59.2866 29.6407 179.0710 87 L 3.9314 7.8434 119.8999 58.3446 42.2159 178.7059 88 N 4.2652 8.1965 116.1489 56.1231 38.2044 177.2455 89 A 4.1482 7.8362 122.7466 54.7197 18.6356 179.4888 90 I 3.8074 7.6603 117.9389 64.8177 36.9714 178.6562 91 M 4.1350 7.8926 118.4017 58.0138 31.8284 178.0066 92 N 4.6140 8.0806 117.9206 56.3911 39.3768 178.6883 93 K 5.5272 7.6054 132.7189 56.0060 32.5150 183.5080 *98 V 4.1519 8.0994 112.7835 62.1271 34.1268 177.1982 99 K 3.7452 7.3790 124.6693 57.1616 33.8080 176.2817 100 G 4.6160 8.5890 97.7215 44.5976 0.0000 169.7795 101 C 4.7357 8.1373 119.8164 59.0843 31.5414 174.1183 102 S 5.1501 8.9362 115.6730 57.0639 65.8666 173.2974 103 M 5.0369 8.7726 122.9354 54.0448 34.7486 173.8529 104 Y 5.0316 9.3024 124.9513 56.8730 39.9562 175.1071 105 V 4.9662 8.9927 123.2771 59.8199 34.7330 176.4714 106 A 4.2766 8.8404 125.3817 54.3606 19.3526 177.2145 107 L 5.2528 7.6513 115.6395 52.8071 45.2953 176.2435 108 F 3.7281 9.2289 128.3153 58.1758 39.5825 173.4871 109 P 4.6323 0.0000 0.0000 62.0000 31.8829 176.4861 110 C 4.5203 8.3478 117.3156 57.4781 32.1086 174.4386 111 N 4.1378 8.4723 118.1084 56.0423 36.5927 177.1091 112 E 3.9058 8.0004 120.3990 59.4564 29.6133 178.8808 113 C 4.1421 8.0124 116.0755 62.4728 28.1322 175.6199 114 A 3.8911 8.0825 122.7560 55.1900 17.7385 179.7799 115 K 3.8566 7.7166 116.3248 59.5948 32.0603 179.5529 116 L 3.9753 7.6837 118.9577 57.9005 41.4230 179.6625 117 I 3.7269 8.1304 120.0325 64.3622 37.0534 178.6219 118 I 3.7759 8.0894 120.6827 64.7142 36.8450 178.6920 119 Q 4.0855 8.2229 117.0985 58.5157 28.5567 178.2314 120 A 4.1967 8.0809 120.9916 53.1557 18.6575 178.4098 121 G 3.9788 7.9682 105.3738 46.1989 0.0000 173.0895 122 I 4.1901 7.2531 120.8605 61.3704 37.1591 176.2726 123 K 4.4499 8.9950 125.1031 56.7099 34.1726 175.7670 124 E 5.0265 7.7873 120.8246 54.5074 33.5938 173.6644 125 V 4.6409 8.9921 126.6314 61.1842 34.4478 173.9686 126 I 4.9993 8.7019 130.0061 59.5644 39.0488 174.7574 127 F 6.0595 8.2802 122.0418 54.7446 40.6082 175.7293 128 M 4.2889 9.3663 121.6230 58.2731 32.6702 175.6234 129 S 5.0008 8.8538 114.0936 55.9588 65.0922 173.2556 130 D 5.2501 8.3943 125.4386 53.1522 41.7853 177.4346 131 K 3.7077 7.8337 119.9198 59.3479 32.5449 178.0685 132 Y 4.8948 7.3614 115.3508 57.5420 38.6970 177.4124 133 H 3.9061 7.9079 121.9231 59.5956 29.9279 175.6002 134 D 4.6583 8.0412 115.2626 54.7388 41.2751 177.2220 135 S 4.4096 7.8681 115.9332 58.1746 65.0630 174.9097 136 D 4.3543 8.4980 122.7162 57.3026 40.5596 178.8734 137 E 3.9924 8.1002 118.5078 59.4540 29.5257 179.0462 138 A 4.0257 7.8500 120.4859 55.4130 18.4659 179.7688 139 T 3.6410 7.8904 113.9205 66.7309 68.5568 176.6350 140 A 3.9202 8.2886 122.7692 55.0371 18.3567 179.5391 141 A 3.5256 8.1694 119.5325 55.2679 18.4771 179.9405 142 R 3.7187 8.1179 116.9482 59.3134 30.0649 179.0873 143 L 4.0064 7.8175 119.7989 58.1136 42.2553 178.9080 144 L 3.9418 7.7579 118.8969 57.8753 41.4727 179.5319 145 F 4.6605 7.9885 117.5385 60.9548 38.7351 177.5374 146 N 4.5087 8.7233 116.0890 56.6693 38.1129 177.4067 147 M 4.2043 8.3175 119.1913 57.7321 32.1671 177.6828 148 A 4.5960 7.9089 117.4590 51.0642 19.6636 176.9990 149 G 3.7406 7.7526 103.9473 46.4619 0.0000 173.7319 150 V 4.3784 7.9461 120.1767 61.1035 32.7812 175.6500 151 T 4.2181 8.8725 126.1481 63.3925 69.6050 173.6323 152 F 5.7144 7.9954 120.0922 55.1802 41.0536 174.2420 153 R 4.8598 9.1274 117.5629 54.4000 33.1440 174.0375 154 K 3.1737 8.3709 123.0936 55.9083 32.9850 175.7961 155 F 4.5779 8.9055 130.5666 57.6087 40.4059 175.1083 156 I 4.0387 7.4091 126.6106 58.5388 37.9784 173.6113 157 P 4.3143 0.0000 0.0000 61.7852 31.5197 175.7729 158 K 4.0288 7.0345 116.1174 57.8381 32.5800 176.7842 159 C 4.4400 7.5019 122.1032 58.4981 32.9542 174.3491 160 S 4.2025 8.5125 119.7687 59.7929 62.4398 173.9195 161 K 4.5877 7.7453 119.8750 54.3440 34.7206 174.8532 162 I 4.4402 8.1828 125.1799 59.4265 39.9218 174.8130 163 V 4.0945 8.3396 125.1302 61.1647 32.5877 174.6974 164 I 4.0827 8.1051 128.2227 59.6880 38.1151 174.4279 165 D 4.6307 8.1782 125.1957 52.1127 42.4818 176.5650 166 F 4.6702 8.3467 125.8004 60.1560 39.2971 176.3844 167 D 4.5864 8.7284 120.5873 56.0563 40.7912 177.9852 168 S 4.3506 7.9004 113.0747 59.4667 63.0493 174.1906 169 I 4.0765 7.4257 127.0180 61.2808 37.8701 174.6083 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 11 D 8.36 4.55 0.00 2.64 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 12 Y 8.59 3.87 0.00 2.96 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 13 L 8.14 4.37 0.00 1.26 1.32 0.91 0.88 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 14 E 8.14 3.90 0.00 2.20 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 2.45 2.41 0.00 15 W 8.46 4.17 0.00 3.37 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 16 P 0.00 4.37 0.00 2.59 2.57 0.00 3.70 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 17 E 8.30 4.15 0.00 2.22 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 2.47 2.69 0.00 18 Y 7.97 3.97 0.00 2.71 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 19 F 7.77 4.06 0.00 1.75 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 0.00 0.00 0.00 20 M 7.73 4.02 0.00 1.78 1.28 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 21 A 8.11 4.02 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 22 V 7.58 3.40 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 0.99 0.00 0.00 0.40 0.00 0.00 23 A 7.82 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 3.86 0.00 3.01 3.17 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 25 L 8.45 4.13 0.00 1.84 1.87 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.52 4.06 0.00 4.06 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 27 A 8.10 4.10 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 28 Q 7.71 4.09 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 29 R 7.44 3.85 0.00 0.67 1.13 0.00 3.08 0.00 0.00 2.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 30 S 7.17 4.32 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 31 K 8.53 4.28 0.00 1.82 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 32 D 7.68 4.44 0.00 2.60 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.46 0.00 2.24 2.18 0.00 3.84 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 2.02 2.01 0.00 34 N 8.56 4.61 0.00 2.71 2.91 0.00 0.00 6.69 7.94 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 35 S 7.92 4.47 0.00 3.67 3.55 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 0.00 36 Q 8.66 4.65 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 37 V 9.57 4.37 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 0.89 0.00 0.00 0.88 0.00 0.00 38 G 8.33 4.64 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 0.00 0.00 0.00 39 A 8.84 5.34 1.24 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 0.00 0.00 40 C 9.39 5.08 0.00 2.94 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 41 I 9.19 4.87 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 1.08 0.42 0.86 0.00 0.00 42 V 8.86 4.70 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 -0.42 0.00 0.00 43 N 8.78 4.88 0.00 2.92 2.89 0.00 0.00 6.46 8.47 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 44 S 8.48 4.10 0.00 3.97 4.02 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 45 E 8.19 4.40 0.00 1.91 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 2.24 2.35 0.00 46 N 7.58 3.93 0.00 2.11 1.51 0.00 0.00 6.84 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 47 K 8.13 4.38 0.00 1.93 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 48 I 8.43 4.13 1.96 0.00 0.00 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 1.49 0.77 0.97 0.00 0.00 49 V 8.69 4.29 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 0.77 0.00 0.00 0.92 0.00 0.00 50 G 7.46 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 0.00 0.00 0.00 0.00 51 I 8.26 5.22 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.98 0.00 0.00 52 G 9.05 4.28 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 53 Y 7.61 5.59 0.00 2.95 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 54 N 8.74 4.71 0.00 2.76 2.83 0.00 0.00 6.77 7.26 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 55 G 8.33 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 56 M 8.56 4.45 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 57 P 0.00 4.40 0.00 2.14 1.96 0.00 3.57 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 58 N 8.50 4.20 0.00 2.69 2.76 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.99 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 0.00 0.00 0.00 60 C 7.29 4.55 0.00 2.92 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 *64 V 8.04 3.78 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 0.78 0.00 0.00 0.93 0.00 0.00 65 L 8.24 4.00 0.00 1.69 1.30 0.86 0.92 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 66 P 0.00 4.13 0.00 0.49 1.46 0.00 3.33 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.02 0.00 67 W 8.61 4.01 0.00 3.84 3.23 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 68 R 7.74 4.00 0.00 2.39 2.00 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 69 R 7.92 4.29 0.00 1.94 1.98 0.00 3.49 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 70 T 7.98 3.85 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 1.22 0.00 0.00 71 A 8.05 3.98 1.14 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 0.00 0.00 72 E 8.49 4.28 0.00 2.10 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 2.34 2.18 0.00 73 N 7.81 4.36 0.00 2.76 2.86 0.00 0.00 7.15 7.67 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 74 K 7.66 4.09 0.00 1.79 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.57 7.81 *77 T 7.06 3.97 4.19 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 1.16 0.00 0.00 78 K 7.90 4.12 0.00 0.79 1.17 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 1.18 7.81 79 Y 7.57 4.95 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.24 0.00 1.69 1.94 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.58 0.00 81 Y 7.59 4.82 0.00 3.03 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 82 V 7.25 4.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.00 0.00 0.00 83 C 9.66 4.82 0.00 2.81 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 84 H 8.80 4.77 0.00 3.06 3.34 0.00 5.67 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 85 A 8.92 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 86 E 8.08 3.88 0.00 2.07 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 2.38 2.40 0.00 87 L 7.84 3.93 0.00 1.68 1.85 0.89 0.64 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 88 N 8.20 4.27 0.00 2.76 2.65 0.00 0.00 6.95 7.47 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 89 A 7.84 4.15 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 90 I 7.66 3.81 1.99 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 1.51 1.47 0.90 0.00 0.00 91 M 7.89 4.14 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.89 0.00 92 N 8.08 4.61 0.00 2.80 2.86 0.00 0.00 6.90 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 93 K 7.61 5.53 0.00 1.81 1.40 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.21 7.81 *98 V 8.10 4.15 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 0.68 0.00 0.00 0.97 0.00 0.00 99 K 7.38 3.75 0.00 1.84 0.83 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 100 G 8.59 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 C 8.14 4.74 0.00 2.89 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 0.00 102 S 8.94 5.15 0.00 3.59 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.77 5.04 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 104 Y 9.30 5.03 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 0.00 105 V 8.99 4.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.13 0.00 0.00 106 A 8.84 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.65 5.25 0.00 1.64 1.53 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.23 3.73 0.00 2.83 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 0.00 109 P 0.00 4.63 0.00 1.93 1.90 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 110 C 8.35 4.52 0.00 3.14 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 0.00 111 N 8.47 4.14 0.00 2.84 3.03 0.00 0.00 5.94 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.00 3.91 0.00 1.94 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 2.35 2.29 0.00 113 C 8.01 4.14 0.00 3.09 2.97 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 0.00 0.00 0.00 114 A 8.08 3.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.72 3.86 0.00 1.93 1.85 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.61 7.81 116 L 7.68 3.98 0.00 1.87 1.71 0.91 1.20 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 0.00 117 I 8.13 3.73 2.29 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 1.54 1.40 0.94 0.00 0.00 118 I 8.09 3.78 2.04 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 1.71 1.10 0.96 0.00 0.00 119 Q 8.22 4.09 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 120 A 8.08 4.20 1.37 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 0.00 0.00 121 G 7.97 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 0.00 122 I 7.25 4.19 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.89 0.00 0.00 123 K 8.99 4.45 0.00 1.63 1.79 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.48 7.81 124 E 7.79 5.03 0.00 1.91 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 125 V 8.99 4.64 1.78 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 0.79 0.00 0.00 0.48 0.00 0.00 126 I 8.70 5.00 1.07 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.32 0.91 0.00 0.00 127 F 8.28 6.06 0.00 3.33 3.17 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 0.00 128 M 9.37 4.29 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.83 0.00 129 S 8.85 5.00 0.00 4.06 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 0.00 130 D 8.39 5.25 0.00 3.09 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 0.00 131 K 7.83 3.71 0.00 1.29 0.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.32 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.23 1.31 7.81 132 Y 7.36 4.89 0.00 3.03 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 0.00 133 H 7.91 3.91 0.00 3.17 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.04 4.66 0.00 2.75 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 0.00 135 S 7.87 4.41 0.00 4.18 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 0.00 136 D 8.50 4.35 0.00 2.68 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 0.00 137 E 8.10 3.99 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 2.36 2.53 0.00 138 A 7.85 4.03 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 0.00 139 T 7.89 3.64 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 1.17 0.00 0.00 140 A 8.29 3.92 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 0.00 141 A 8.17 3.53 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 0.00 142 R 8.12 3.72 0.00 1.92 2.09 0.00 3.21 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.37 0.00 143 L 7.82 4.01 0.00 1.79 1.80 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.76 3.94 0.00 1.59 1.52 0.76 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 145 F 7.99 4.66 0.00 3.46 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.72 4.51 0.00 3.01 2.98 0.00 0.00 7.08 7.28 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 0.00 147 M 8.32 4.20 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 148 A 7.91 4.60 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 0.00 149 G 7.75 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 0.00 150 V 7.95 4.38 2.24 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 0.45 0.00 0.00 1.08 0.00 0.00 151 T 8.87 4.22 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 1.12 0.00 0.00 152 F 8.00 5.71 0.00 3.33 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 0.00 153 R 9.13 4.86 0.00 1.84 2.00 0.00 2.77 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 154 K 8.37 3.17 0.00 1.61 1.62 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.32 1.28 7.81 155 F 8.91 4.58 0.00 2.98 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 0.00 156 I 7.41 4.04 1.64 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 1.33 0.96 0.76 0.00 0.00 157 P 0.00 4.31 0.00 2.30 2.12 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 158 K 7.03 4.03 0.00 1.80 1.75 0.00 1.49 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.39 7.81 159 C 7.50 4.44 0.00 2.90 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 0.00 160 S 8.51 4.20 0.00 3.83 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 0.00 161 K 7.75 4.59 0.00 1.67 1.58 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.38 7.81 162 I 8.18 4.44 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.87 0.00 0.00 163 V 8.34 4.09 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 0.75 0.00 0.00 0.89 0.00 0.00 164 I 8.11 4.08 1.61 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.57 0.00 0.00 165 D 8.18 4.63 0.00 2.63 2.44 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 0.00 166 F 8.35 4.67 0.00 3.11 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 0.00 167 D 8.73 4.59 0.00 3.02 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 0.00 168 S 7.90 4.35 0.00 3.99 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 0.00 169 I 7.43 4.08 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.