NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 E 4.3892 8.4449 121.4641 55.3954 30.8202 175.1072 17 I 3.7979 9.7052 124.7900 61.8495 38.3592 174.3389 18 Q 4.5303 9.5831 123.8611 54.1951 32.4695 174.5852 19 I 4.2939 8.6728 125.6414 61.1980 38.0719 176.2168 20 G 4.0443 9.1838 114.7369 43.9663 0.0000 172.3116 21 P 4.3983 0.0000 0.0000 65.6675 32.0872 177.9091 22 G 3.9625 8.4506 108.1990 45.5421 0.0000 171.8603 23 S 4.4519 8.4938 116.4330 57.9914 66.1547 176.2927 24 A 4.1903 8.3326 122.2065 54.8850 18.2017 178.8208 25 T 5.0245 7.9501 103.6780 61.3451 71.9973 173.2247 26 R 5.2305 8.1999 123.1526 55.0106 33.6553 173.5207 27 L 4.9397 8.9332 126.2247 52.9718 44.5324 175.1192 28 E 4.9349 8.3228 122.4195 54.4523 32.1207 174.9324 29 F 5.4444 8.7557 121.6718 55.8524 43.5049 174.1872 30 R 5.1466 8.9831 119.8487 54.8034 34.6446 174.3468 31 R 4.7710 8.7796 122.4357 55.3179 33.8997 173.7224 32 H 4.9256 8.6998 126.0089 56.3386 31.3204 174.4050 33 F 4.4643 8.3329 121.4776 55.9907 43.3517 174.4624 34 A 4.9643 8.7341 126.7755 50.2502 16.1344 175.6667 35 A 4.5842 7.5330 119.2729 50.6092 22.7018 176.6637 36 T 4.0722 8.5841 111.2959 60.4437 69.8865 173.8766 37 P 4.2231 0.0000 0.0000 66.5157 30.8159 178.3365 38 E 3.9224 8.1537 117.3570 59.5789 29.5396 179.3126 39 Q 4.0158 7.6286 117.2588 58.6184 28.6610 178.7302 40 L 3.6222 7.8023 121.2754 57.8832 42.0835 178.6546 41 W 4.0038 8.4576 128.3620 60.5722 30.4722 177.7396 42 A 4.0429 8.0768 120.0483 54.8988 17.5880 179.4676 43 A 3.8987 7.4405 118.1646 54.6324 18.4929 179.0549 44 L 4.4323 7.6136 115.7483 55.5942 42.1774 177.3544 45 T 3.1592 6.9788 106.3237 60.3016 70.2979 173.7360 46 S 4.4988 7.5474 118.4941 56.5117 63.3596 173.1612 47 P 4.2878 0.0000 0.0000 65.0274 31.1259 178.6028 48 A 4.1080 7.4615 119.5978 55.2801 18.6281 179.3785 49 L 4.1730 7.8344 116.7662 57.6415 41.8454 179.2162 50 L 3.9939 7.8697 119.1632 57.8753 41.4423 177.8538 51 P 4.3865 0.0000 0.0000 65.6402 31.2661 177.9141 52 A 4.4362 8.1490 118.2149 53.6396 18.5029 177.8934 53 W 5.1032 7.7003 110.0695 55.8818 30.6326 175.4200 54 L 3.6357 7.1449 122.3886 52.3535 39.6854 174.7851 55 F 5.0753 7.1128 116.2116 55.6791 40.6126 173.8513 56 A 4.7746 8.1659 122.9343 50.5140 21.7142 175.6680 57 R 3.9349 8.3072 119.1780 57.3430 29.2027 176.8788 58 G 3.9537 9.5281 113.0309 44.9438 0.0000 172.0393 59 W 5.6255 8.5280 119.9255 54.1541 30.4107 174.7063 60 P 4.9809 0.0000 0.0000 62.4263 32.4661 181.0870 *62 T 4.3378 8.8058 108.5430 60.9041 70.5652 172.2324 63 E 4.6080 7.7560 122.7366 54.7280 33.6503 174.3961 64 C 4.6930 8.4826 126.0956 59.0019 33.3662 172.6071 65 V 4.3715 8.4791 127.5028 61.1282 33.8904 174.5892 66 F 4.3826 8.1121 122.8783 58.0054 41.8498 173.0072 67 E 4.6401 8.1698 128.3231 52.9009 30.9152 175.8907 68 P 4.8840 0.0000 0.0000 62.1356 29.9367 175.5954 69 H 4.9916 7.3038 113.7554 53.9294 32.0908 173.2029 70 K 3.8597 8.7276 121.6540 58.6999 32.0481 176.9697 71 G 4.0101 8.9433 115.4632 44.8377 0.0000 173.8230 72 G 4.2340 8.3970 107.7387 46.0259 0.0000 172.4662 73 L 4.8769 8.8788 124.2580 53.4952 44.0833 175.2739 74 I 4.5866 7.6821 124.9468 59.6216 41.0708 175.1548 75 R 4.5777 8.4781 125.8030 56.0502 33.0879 173.4079 76 Q 4.7333 8.6205 126.2598 53.8797 31.7593 174.9551 77 V 4.9156 8.2451 124.2095 60.7369 34.8195 174.2048 78 W 5.2065 9.5418 126.3984 55.2616 32.7712 174.4468 79 T 4.8590 8.8475 120.1791 61.3170 70.0821 173.7735 80 G 2.9235 7.6097 117.1464 43.6802 0.0000 172.0977 81 P 4.0163 0.0000 0.0000 63.7224 31.5764 176.7297 82 E 3.6490 9.0885 121.0248 56.2645 26.7415 175.3486 83 G 3.8636 7.7678 106.4470 45.4115 0.0000 174.1923 84 R 4.0895 7.4174 117.3360 56.0387 29.9814 176.8335 85 T 5.5230 8.2009 113.1538 60.8269 71.7427 173.6521 86 R 4.3673 8.3095 116.2143 56.2431 32.9732 173.5698 87 G 5.5925 8.5520 113.8309 44.6924 0.0000 169.9077 88 L 4.8436 8.2059 117.3649 54.8013 43.8512 174.7342 89 T 5.0150 8.0168 116.4957 60.7374 72.9889 172.8933 90 G 4.5872 7.4990 108.0715 46.7394 0.0000 171.7451 91 R 4.8281 8.2228 119.1127 54.3450 34.0318 174.1770 92 V 4.1286 8.4421 125.7366 62.6717 32.1978 176.5747 93 I 4.1637 9.0816 129.8889 63.6176 38.3241 176.4008 94 L 4.6024 7.5843 118.6481 54.7753 43.4317 174.3224 95 A 4.9692 8.7206 123.0603 51.1245 21.8339 175.6757 96 E 4.4703 9.2237 123.3841 53.7647 30.3125 173.4779 97 P 2.9700 0.0000 0.0000 61.3239 31.8967 174.8080 98 P 3.3639 0.0000 0.0000 62.6506 32.1656 176.4038 99 H 4.4895 7.6034 118.2961 58.7331 29.0743 175.2556 100 R 5.4326 7.6801 117.9285 54.8759 33.8876 173.5914 101 L 5.3598 9.3963 127.0843 53.7079 45.9201 174.7280 102 I 5.5876 8.9762 126.2009 58.7923 40.5714 174.2632 103 H 5.4183 8.4790 121.1821 54.1911 32.4483 172.2931 104 S 5.0733 9.2544 114.5281 57.5155 65.1805 172.9064 105 E 5.1032 8.8106 120.6415 54.9214 33.7829 175.3648 106 L 4.2535 8.2891 124.0162 54.9799 44.3228 175.4383 107 Y 4.3810 8.9011 124.7904 59.6160 38.3486 175.8848 *115 E 4.1854 7.9601 119.9244 56.0791 30.5370 174.7056 116 T 4.7116 8.2552 116.0282 59.9901 72.3999 172.9452 117 L 4.9253 8.2185 123.1521 53.3126 44.9954 175.0335 118 V 4.7393 8.7021 126.8821 61.6089 33.8638 174.4910 119 T 5.0085 8.9802 123.8799 61.8158 71.2789 173.2146 120 L 4.9759 9.4486 127.4577 52.9730 44.4700 175.2593 121 Q 5.0304 9.4870 125.6526 54.2715 32.0272 174.0091 122 L 5.5253 9.2602 127.0430 52.2387 42.8172 175.2578 123 L 4.7269 8.1862 124.6648 52.8232 42.9246 174.0339 124 P 4.7160 0.0000 0.0000 63.0641 31.9014 175.8481 125 V 4.4300 8.6964 123.6696 60.2201 34.6050 173.9728 126 E 4.2639 8.5073 124.0985 56.5599 29.8455 175.3775 127 G 4.2409 9.2722 117.2335 44.5201 0.0000 175.6545 128 G 4.3076 6.5829 108.7721 46.6995 0.0000 173.9565 129 T 5.0292 8.3422 122.4668 61.2839 72.3099 171.3354 130 E 5.0776 8.5704 122.4546 54.4411 33.2862 173.9334 131 L 5.0412 9.3084 129.0899 53.5793 44.1798 175.3995 132 A 5.3329 9.4918 128.1188 49.5635 22.4097 175.0386 *134 A 4.6552 8.1841 119.4520 52.0063 20.4552 175.8505 135 V 4.7045 8.5883 121.8991 61.0447 34.7888 173.9132 136 D 5.3027 8.8279 127.6367 52.8873 42.9119 175.2345 137 Y 4.5821 9.2591 122.4357 56.4799 39.3353 175.3950 138 A 3.9781 9.1309 124.3006 54.4068 19.3148 178.5038 139 T 4.5898 7.4210 102.7498 59.0619 71.3053 173.8449 140 P 5.2933 0.0000 0.0000 63.7906 31.9216 177.4131 141 E 4.7796 8.2498 114.9645 56.8854 30.7527 178.2156 142 A 4.0015 7.8660 122.1816 54.6792 17.9244 178.9728 143 R 3.0577 7.4274 114.8595 57.9073 30.2244 178.0716 144 D 4.3009 7.6543 118.0338 57.2692 40.9423 178.4538 145 A 3.9476 7.7491 120.7645 54.6004 18.6498 178.3697 146 V 3.7591 7.0694 112.6576 64.1865 31.8808 176.8503 147 A 3.8722 6.7453 120.9164 54.8986 18.3028 178.2474 148 A 4.7045 7.5574 121.9062 50.0680 18.6032 175.9423 149 S 4.5048 7.6549 117.4247 57.7391 64.2805 175.0562 150 A 3.4135 8.0174 122.4024 53.8676 14.8148 178.1005 *152 A 4.1738 7.9323 120.1562 51.6722 21.3659 178.2253 153 T 4.2588 7.5356 112.1752 65.6708 69.5633 178.8320 154 E 4.1364 7.6706 120.5980 56.2528 28.4105 178.4327 *156 E 4.2180 8.1845 120.0822 55.9109 31.8056 177.0543 157 E 4.0452 7.8753 117.8142 59.5481 29.7445 178.5519 158 A 3.8705 7.4710 120.1888 55.4099 18.3445 179.2760 159 Y 4.7862 7.8190 114.7706 61.0370 38.0974 178.1266 160 R 3.9506 8.0747 120.0700 59.6470 29.9613 178.1375 161 H 4.3241 8.0325 114.3942 58.9480 28.8599 176.9662 162 L 4.1135 8.1480 120.5487 58.3330 42.1034 178.0585 163 D 4.7045 8.7917 119.0964 57.7762 40.7478 181.2834 164 V 3.8842 7.7273 116.4342 63.1760 31.7439 177.8678 *166 L 4.1310 7.9454 117.5378 54.2776 43.4892 178.9416 167 A 3.9560 8.2448 119.8601 55.2485 18.4283 178.5764 168 A 4.1517 8.1651 117.7942 55.4245 18.7099 178.7950 169 L 4.4184 7.4124 116.2767 53.3117 39.5637 177.0726 170 E 4.3158 7.8089 120.9261 56.8127 30.3541 175.5157 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 16 E 8.44 4.39 0.00 1.94 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 2.21 2.54 0.00 17 I 9.71 3.80 2.07 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 1.46 1.00 1.05 0.00 0.00 18 Q 9.58 4.53 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 19 I 8.67 4.29 1.87 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.78 0.00 0.00 20 G 9.18 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.40 0.00 2.17 2.18 0.00 3.96 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 22 G 8.45 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 23 S 8.49 4.45 0.00 3.96 3.97 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 24 A 8.33 4.19 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 25 T 7.95 5.02 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 1.29 0.00 0.00 26 R 8.20 5.23 0.00 1.96 1.79 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 27 L 8.93 4.94 0.00 1.85 1.32 1.08 0.54 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 E 8.32 4.93 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 29 F 8.76 5.44 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.98 5.15 0.00 1.79 1.81 0.00 3.49 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 31 R 8.78 4.77 0.00 1.96 1.72 0.00 2.70 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.83 0.00 32 H 8.70 4.93 0.00 3.11 3.08 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.33 4.46 0.00 2.85 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 34 A 8.73 4.96 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 35 A 7.53 4.58 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 36 T 8.58 4.07 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 37 P 0.00 4.22 0.00 2.27 2.41 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 38 E 8.15 3.92 0.00 2.06 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 2.37 2.41 0.00 39 Q 7.63 4.02 0.00 2.26 2.10 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 2.36 2.35 0.00 40 L 7.80 3.62 0.00 1.62 1.69 0.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.46 4.00 0.00 3.51 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 42 A 8.08 4.04 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 43 A 7.44 3.90 0.93 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 44 L 7.61 4.43 0.00 1.25 1.51 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 T 6.98 3.16 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 -0.06 0.00 0.00 46 S 7.55 4.50 0.00 3.83 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 47 P 0.00 4.29 0.00 2.05 2.32 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 48 A 7.46 4.11 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 49 L 7.83 4.17 0.00 1.79 1.84 0.93 0.63 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 50 L 7.87 3.99 0.00 1.63 1.58 0.63 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.39 0.00 2.00 2.08 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 52 A 8.15 4.44 1.54 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 53 W 7.70 5.10 0.00 3.69 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 54 L 7.14 3.64 0.00 0.27 1.18 0.48 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.11 5.08 0.00 3.63 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 56 A 8.17 4.77 1.20 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 57 R 8.31 3.93 0.00 1.97 1.99 0.00 3.52 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 58 G 9.53 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 59 W 8.53 5.63 0.00 3.38 3.35 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 60 P 0.00 4.98 0.00 2.00 1.20 0.00 3.97 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 2.12 1.86 0.00 *62 T 8.81 4.34 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 1.24 0.00 0.00 63 E 7.76 4.61 0.00 1.89 1.64 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 2.12 2.18 0.00 64 C 8.48 4.69 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.37 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 0.85 0.00 0.00 0.90 0.00 0.00 66 F 8.11 4.38 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.17 4.64 0.00 1.62 1.83 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 2.24 2.36 0.00 68 P 0.00 4.88 0.00 2.51 2.26 0.00 3.85 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 69 H 7.30 4.99 0.00 3.36 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.73 3.86 0.00 1.78 1.84 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.72 7.81 71 G 8.94 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 0.00 0.00 0.00 72 G 8.40 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 0.00 0.00 0.00 0.00 73 L 8.88 4.88 0.00 1.74 1.47 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.68 4.59 1.58 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.51 0.65 0.00 0.00 75 R 8.48 4.58 0.00 1.85 1.69 0.00 3.14 0.00 0.00 3.12 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 76 Q 8.62 4.73 0.00 1.72 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 77 V 8.25 4.92 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 1.06 0.00 0.00 0.93 0.00 0.00 78 W 9.54 5.21 0.00 3.54 3.32 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 79 T 8.85 4.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 80 G 7.61 2.92 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 81 P 0.00 4.02 0.00 2.06 1.87 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 82 E 9.09 3.65 0.00 2.11 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 2.14 2.22 0.00 83 G 7.77 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 0.00 0.00 0.00 84 R 7.42 4.09 0.00 2.27 2.15 0.00 2.86 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 85 T 8.20 5.52 4.41 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 1.30 0.00 0.00 86 R 8.31 4.37 0.00 1.84 1.90 0.00 2.69 0.00 0.00 2.98 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 87 G 8.55 5.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.21 4.84 0.00 1.33 0.99 0.79 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.02 5.01 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 1.23 0.00 0.00 90 G 7.50 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 4.83 0.00 1.85 1.68 0.00 3.27 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 92 V 8.44 4.13 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 0.93 0.00 0.00 0.75 0.00 0.00 93 I 9.08 4.16 1.97 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 1.39 0.95 0.92 0.00 0.00 94 L 7.58 4.60 0.00 1.76 1.75 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.72 4.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.22 4.47 0.00 1.88 1.84 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 2.23 2.30 0.00 97 P 0.00 2.97 0.00 1.47 0.61 0.00 3.41 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 98 P 0.00 3.36 0.00 2.19 1.78 0.00 3.12 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 1.65 1.97 0.00 99 H 7.60 4.49 0.00 3.21 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.68 5.43 0.00 1.93 1.94 0.00 3.18 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 101 L 9.40 5.36 0.00 1.83 1.50 1.04 1.35 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 0.00 102 I 8.98 5.59 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 0.95 1.33 0.94 0.00 0.00 103 H 8.48 5.42 0.00 3.10 3.24 0.00 5.44 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 9.25 5.07 0.00 3.84 3.99 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 0.00 0.00 0.00 105 E 8.81 5.10 0.00 1.86 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 0.00 2.13 2.26 0.00 106 L 8.29 4.25 0.00 1.75 1.48 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.90 4.38 0.00 2.96 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 *115 E 7.96 4.19 0.00 1.97 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 2.18 2.46 0.00 116 T 8.26 4.71 3.97 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 1.14 0.00 0.00 117 L 8.22 4.93 0.00 1.73 1.45 0.89 0.94 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 0.00 118 V 8.70 4.74 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 0.94 0.00 0.00 0.92 0.00 0.00 119 T 8.98 5.01 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 1.26 0.00 0.00 120 L 9.45 4.98 0.00 1.63 1.63 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 9.49 5.03 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 122 L 9.26 5.53 0.00 1.63 1.66 1.09 0.99 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 0.00 123 L 8.19 4.73 0.00 1.71 1.80 0.95 0.72 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 0.00 124 P 0.00 4.72 0.00 1.97 2.07 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 125 V 8.70 4.43 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 1.06 0.00 0.00 126 E 8.51 4.26 0.00 1.97 1.85 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 2.30 2.31 0.00 127 G 9.27 4.24 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 0.00 128 G 6.58 4.31 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 0.00 129 T 8.34 5.03 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 1.23 0.00 0.00 130 E 8.57 5.08 0.00 2.08 1.79 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 2.25 2.28 0.00 131 L 9.31 5.04 0.00 1.73 1.59 0.93 0.75 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 0.00 132 A 9.49 5.33 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 *134 A 8.18 4.66 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 0.00 135 V 8.59 4.70 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 0.50 0.00 0.00 1.06 0.00 0.00 136 D 8.83 5.30 0.00 2.51 2.51 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 0.00 137 Y 9.26 4.58 0.00 2.90 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 0.00 138 A 9.13 3.98 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 0.00 139 T 7.42 4.59 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 1.23 0.00 0.00 140 P 0.00 5.29 0.00 2.06 2.20 0.00 3.72 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 141 E 8.25 4.78 0.00 2.08 2.17 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 2.30 2.18 0.00 142 A 7.87 4.00 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 0.00 143 R 7.43 3.06 0.00 1.78 1.92 0.00 3.09 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.83 0.00 144 D 7.65 4.30 0.00 2.90 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 0.00 145 A 7.75 3.95 1.20 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 0.00 146 V 7.07 3.76 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 0.82 0.00 0.00 0.88 0.00 0.00 147 A 6.75 3.87 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 0.00 148 A 7.56 4.70 1.20 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 0.00 149 S 7.65 4.50 0.00 3.83 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 0.00 150 A 8.02 3.41 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 *152 A 7.93 4.17 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 0.00 153 T 7.54 4.26 4.32 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 1.17 0.00 0.00 154 E 7.67 4.14 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 *156 E 8.18 4.22 0.00 2.00 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 2.20 2.39 0.00 157 E 7.88 4.05 0.00 2.04 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 0.00 2.26 2.42 0.00 158 A 7.47 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 0.00 159 Y 7.82 4.79 0.00 3.17 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 0.00 160 R 8.07 3.95 0.00 2.05 2.01 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 161 H 8.03 4.32 0.00 3.62 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.15 4.11 0.00 1.78 2.08 -0.39 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 163 D 8.79 4.70 0.00 2.95 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 0.00 164 V 7.73 3.88 2.32 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 1.18 0.00 0.00 1.00 0.00 0.00 *166 L 7.95 4.13 0.00 1.92 1.71 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.24 3.96 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 0.00 168 A 8.17 4.15 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 0.00 169 L 7.41 4.42 0.00 1.81 1.65 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 170 E 7.81 4.32 0.00 1.91 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 0.00 2.32 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.