NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.6640 8.1316 120.0210 54.5682 43.0878 176.2419 1 V 3.8690 8.1793 122.0251 62.5180 32.5745 173.8078 2 K 4.4336 8.7274 120.9843 57.4712 37.1789 175.4293 3 K 4.5708 8.0916 122.9882 55.3406 33.2365 175.3930 4 V 4.9346 8.7340 128.0710 60.9440 34.8190 173.7624 5 L 5.0688 8.7634 129.2794 53.2606 44.4583 174.5284 6 L 5.1061 9.1306 129.5331 54.1482 43.6017 175.0115 7 I 5.2261 8.9293 127.4303 59.6720 40.3410 174.4108 8 N 5.9905 8.7119 123.0816 50.7221 42.0149 174.4897 9 G 4.4236 8.4639 112.7633 44.1739 0.0000 171.6009 10 P 5.1004 0.0000 0.0000 63.4220 32.1792 177.9884 11 N 4.4535 9.1140 114.9662 54.3502 37.9042 176.6785 12 L 4.0174 7.8115 118.4520 57.4784 41.8464 178.9019 13 N 4.2021 8.2577 115.0363 55.7873 37.0739 175.4949 14 L 4.2653 8.1880 117.9811 55.2363 42.4764 176.5063 15 L 4.4245 8.0289 121.3841 55.2944 40.9857 176.4695 16 G 3.9451 7.9296 109.7831 44.3523 0.0000 171.6640 17 T 4.3870 8.7069 121.3381 63.2452 68.5982 176.0112 18 R 4.2012 7.8077 121.2920 58.2858 30.9809 176.7601 *23 Y 4.5921 7.6470 116.2198 56.7383 40.5245 174.9691 24 G 3.7776 7.4895 108.4133 45.1848 0.0000 173.9840 25 T 4.3102 7.9812 106.7432 62.0261 67.1957 174.5492 26 T 4.3551 8.2037 120.8445 63.7283 69.1338 174.9119 27 S 5.5358 8.9679 121.2187 55.8608 65.3747 175.1316 28 L 3.8205 8.4780 122.3693 58.3783 41.7760 178.6950 29 S 4.0172 8.1045 112.6551 61.7437 62.1079 175.7201 30 D 4.3456 7.9868 121.0212 57.6991 40.6352 179.0500 31 I 3.6031 7.3959 119.9574 64.2477 36.9257 178.2701 32 E 3.8184 8.2712 119.5277 59.5486 29.3847 179.1146 33 Q 3.9670 8.1450 117.6401 59.3400 29.0085 179.4853 34 A 4.1102 8.1878 121.1698 54.8513 18.1176 179.6736 35 A 3.9154 7.9650 119.3725 55.3978 18.4900 179.6763 36 I 3.6793 8.0012 118.7555 64.9039 37.2249 178.5200 37 E 4.0139 8.7456 119.4176 59.2432 29.0416 179.3069 38 Q 3.9217 7.9333 119.1768 59.0126 29.0316 178.0739 39 A 4.0150 7.6822 121.5688 55.1471 18.4975 179.4029 40 K 3.7795 7.7522 116.6675 59.7165 31.9641 178.7837 41 L 3.8876 7.5966 118.8035 58.6075 41.8877 178.7646 42 K 3.8169 7.6278 117.8884 57.9284 31.7703 178.3460 43 N 4.5241 8.1836 115.2046 53.6074 39.6677 173.6728 44 N 4.7612 7.5239 115.5608 53.6230 37.3524 174.3462 45 D 4.3530 7.8557 110.6072 56.5350 38.9288 173.9671 46 S 4.9875 7.2375 112.1356 57.2067 66.0278 173.1174 47 E 4.7977 9.0892 118.0641 55.0513 34.2132 174.5513 48 V 4.8681 8.3959 122.4477 61.2831 33.7087 174.8043 49 L 4.8258 8.8728 127.6600 53.4603 44.2376 175.7898 50 V 5.0741 8.2712 113.6857 59.8149 34.9275 174.8774 51 F 4.9846 9.3879 125.6298 57.0498 43.4309 172.9457 52 Q 5.4341 7.1645 123.6962 55.2349 31.7756 173.3323 53 S 4.6510 8.4495 119.4477 57.2512 65.7683 173.2355 54 N 4.7117 8.9485 120.0201 53.8148 39.4957 174.7586 55 T 4.5472 7.6500 116.9921 61.9580 69.3133 174.4143 56 E 3.6164 8.7388 127.2157 59.3819 29.4214 178.8360 57 G 3.7627 7.8725 104.7713 48.1658 0.0000 175.1441 58 F 4.5097 7.9985 120.0004 60.5256 39.0437 177.7075 59 I 3.8741 8.0898 119.3408 64.2775 36.8289 178.7137 60 I 3.6091 7.7805 120.7037 64.5584 37.0267 177.8361 61 D 4.2621 8.2937 120.0816 57.7530 40.6354 179.3389 62 R 3.6431 8.0344 119.0946 59.0551 29.9038 178.6965 63 I 3.6314 7.3827 119.2408 64.5356 36.8995 177.7221 64 H 4.0481 7.8785 115.8423 59.0649 29.0207 176.6905 65 E 4.0168 8.0723 120.4277 59.4232 29.3183 178.5197 66 A 3.9663 7.9508 120.4667 55.3704 18.4070 179.5137 67 K 3.8534 8.0324 117.8125 59.7784 31.9911 179.1933 68 R 4.0411 7.6888 116.9854 58.5686 29.9459 177.9104 69 Q 4.4959 7.8256 115.5366 54.3721 29.2142 175.3820 70 G 4.0051 7.9901 107.7450 45.8297 0.0000 174.6387 71 V 3.6226 7.9053 118.6631 63.3256 31.8828 175.7276 72 G 4.1279 8.8436 113.7253 47.1252 0.0000 173.3159 73 F 4.9337 7.9732 121.5165 56.9460 43.2222 172.6921 74 V 5.0488 8.6525 124.7143 61.1494 34.5634 174.1688 75 V 4.8832 8.8807 127.9699 61.4199 33.4011 174.1236 76 I 5.0592 8.8841 128.2146 59.2550 41.5680 173.4022 77 N 5.3603 9.5430 127.6879 50.8745 40.5485 174.4509 78 A 4.3174 8.8268 128.8913 51.9537 20.1363 178.4359 79 G 3.7367 8.3365 105.8166 45.8609 0.0000 176.0527 80 A 4.0791 8.5380 121.4891 55.6451 18.6463 179.2139 81 Y 4.6106 7.8152 113.1499 60.8584 37.7275 178.2234 82 T 3.9761 8.1022 117.4336 66.6567 68.3170 175.0247 83 H 5.0108 8.3124 115.6550 56.1307 29.6117 175.6182 84 T 4.6690 8.0130 107.8755 60.8448 70.0356 173.6895 85 S 4.5933 8.1544 117.1670 56.0183 61.9865 174.1893 86 V 3.5287 7.7654 128.2879 64.9633 31.3473 177.7778 87 G 3.5257 7.7973 105.4226 47.6570 0.0000 175.5592 88 I 3.6093 7.7202 122.1688 64.1162 37.0754 178.3270 89 R 3.8178 7.5450 118.4962 59.6953 29.8489 178.1456 90 D 4.3895 8.0837 117.8204 56.5325 40.8219 178.5785 91 A 4.0499 7.9175 121.8439 54.8281 18.3847 179.6328 92 L 3.8679 7.8178 117.6051 57.9650 41.4413 179.7749 93 L 4.1960 8.0448 118.1683 57.4030 41.6088 179.2997 94 G 3.8412 8.3243 105.6636 48.1701 0.0000 175.3362 95 T 4.1066 8.2451 111.0745 60.8115 68.9512 174.6909 96 A 3.8127 7.4174 123.1546 53.2112 16.7925 176.9745 97 I 4.1671 7.0744 119.2242 61.1031 37.8867 174.6541 98 P 4.5340 0.0000 0.0000 62.6903 32.8131 175.1565 99 F 5.1938 7.5395 114.4032 55.6270 41.7997 172.9763 100 I 4.9327 9.1141 120.5673 59.5783 40.6078 174.0688 101 E 5.2272 8.9112 125.9913 54.5115 31.6308 174.6500 102 V 4.5485 8.8320 127.1913 61.3147 34.5967 173.7982 103 H 5.0499 8.5611 123.9007 53.9445 31.5067 174.5056 104 I 3.9680 8.7595 124.6031 63.8483 38.0106 176.1812 105 T 4.7370 7.6810 109.1263 59.2944 71.4288 173.8551 106 N 4.5364 8.3155 120.6863 52.5194 37.6525 175.4203 107 V 3.4703 8.1714 119.7011 64.4101 31.8283 178.3209 108 H 4.0207 7.8188 114.7562 57.6645 28.6839 176.1193 109 Q 4.1865 8.0803 117.6867 57.1047 29.2235 176.0822 110 R 4.5641 7.4493 117.9463 54.5880 32.3967 175.4212 111 E 3.8880 8.3004 117.8864 56.8404 30.1111 176.1406 112 P 3.3419 0.0000 0.0000 65.4377 31.7753 178.5540 113 F 4.3409 7.9640 112.4168 59.4220 37.8017 176.4339 114 R 4.0164 7.6231 119.4396 56.4814 29.7401 176.8569 115 H 4.4809 8.2137 116.6140 57.2751 29.1667 175.5650 116 Q 4.3400 7.4528 117.8199 54.7815 29.4552 175.1141 117 S 4.9549 8.3417 116.2293 56.8997 65.1861 173.1058 118 Y 4.6527 8.9383 122.5273 58.2428 38.6062 176.4642 119 L 4.6808 7.9035 120.3448 56.7086 43.2063 178.5687 120 S 4.4210 8.4375 114.5027 60.9857 62.8065 175.9269 121 D 4.7000 8.0823 115.6883 53.9391 39.5687 176.4716 122 K 4.4308 8.4198 117.9012 56.0070 33.7258 176.2350 123 A 2.8207 7.2927 122.0751 51.0518 19.0700 177.9132 124 V 3.7583 7.9122 120.5883 65.8310 32.2275 176.1094 125 A 4.5350 7.3496 119.2834 50.7561 22.7861 175.6835 126 V 4.6700 8.0827 118.4295 61.4066 34.1970 174.5999 127 I 4.3562 8.3686 129.7845 60.1193 39.0384 175.0427 128 C 4.6725 8.5936 127.0525 60.0359 33.8439 173.7532 129 G 3.9310 9.3070 115.5045 45.4793 0.0000 172.6982 130 L 4.3906 7.7723 119.7414 54.4182 42.6522 178.5430 131 G 3.9329 7.8558 105.9166 45.5456 0.0000 175.7897 132 V 3.9952 8.3720 117.3829 64.4700 32.1632 177.8992 133 Y 4.4279 8.3402 121.3792 60.0780 38.5000 177.6033 134 G 3.7737 7.8860 107.0621 48.1881 0.0000 175.0867 135 Y 4.1795 7.8298 118.9231 61.1940 37.8713 178.9524 136 T 4.2101 8.1781 117.1644 65.8855 68.6724 176.4428 137 A 3.7388 7.9163 122.8471 55.0459 18.3424 179.4259 138 A 3.9241 7.9311 119.2799 55.3760 18.3720 179.9942 139 I 3.6001 7.9675 118.1917 64.5152 37.0075 178.1331 140 E 3.9179 8.0116 118.2610 59.9239 29.6892 178.8565 141 Y 4.0073 7.8636 118.3256 60.3949 38.8719 177.2039 142 A 2.6515 7.9919 122.1384 55.0066 18.1982 179.4164 143 L 4.1454 7.6935 114.1807 56.3656 41.6292 177.6198 144 N 4.8081 7.4891 115.2042 52.7867 39.4129 173.2819 145 Y 4.2719 7.8802 121.2631 55.8525 39.7661 174.4395 146 Q 3.7626 8.2205 125.0681 55.8117 28.9339 177.1894 147 L 4.1822 8.6965 123.7352 55.5770 41.9770 176.5290 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 0 L 8.13 4.66 0.00 1.65 1.66 0.90 0.55 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 1 V 8.18 3.87 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 0.88 0.00 0.00 1.28 0.00 0.00 2 K 8.73 4.43 0.00 1.71 1.76 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 3 K 8.09 4.57 0.00 1.91 1.74 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 4 V 8.73 4.93 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 1.11 0.00 0.00 0.96 0.00 0.00 5 L 8.76 5.07 0.00 1.84 1.54 1.03 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.13 5.11 0.00 1.84 1.68 1.13 0.62 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 7 I 8.93 5.23 1.97 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 1.33 0.63 1.09 0.00 0.00 8 N 8.71 5.99 0.00 2.70 2.71 0.00 0.00 6.67 7.16 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 9 G 8.46 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 5.10 0.00 1.98 2.08 0.00 3.96 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.00 11 N 9.11 4.45 0.00 2.91 2.99 0.00 0.00 6.88 6.74 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 12 L 7.81 4.02 0.00 1.89 1.76 1.08 0.50 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 13 N 8.26 4.20 0.00 2.80 3.14 0.00 0.00 6.04 7.79 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 14 L 8.19 4.27 0.00 1.83 1.75 0.92 0.39 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 15 L 8.03 4.42 0.00 1.87 1.83 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.93 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 17 T 8.71 4.39 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 1.22 0.00 0.00 18 R 7.81 4.20 0.00 1.83 2.05 0.00 3.28 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 *23 Y 7.65 4.59 0.00 3.03 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.49 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 0.00 0.00 0.00 25 T 7.98 4.31 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 1.12 0.00 0.00 26 T 8.20 4.36 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 1.22 0.00 0.00 27 S 8.97 5.54 0.00 3.95 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 28 L 8.48 3.82 0.00 1.88 1.67 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.10 4.02 0.00 3.89 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 30 D 7.99 4.35 0.00 2.97 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 31 I 7.40 3.60 1.76 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 1.42 0.66 0.05 0.00 0.00 32 E 8.27 3.82 0.00 2.08 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 2.25 2.44 0.00 33 Q 8.15 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 34 A 8.19 4.11 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 35 A 7.97 3.92 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 36 I 8.00 3.68 2.01 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 1.53 1.53 0.92 0.00 0.00 37 E 8.75 4.01 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 38 Q 7.93 3.92 0.00 2.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 39 A 7.68 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.75 3.78 0.00 1.93 1.90 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 41 L 7.60 3.89 0.00 1.78 1.88 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.63 3.82 0.00 1.84 1.89 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.63 7.81 43 N 8.18 4.52 0.00 3.01 3.00 0.00 0.00 7.17 7.81 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 44 N 7.52 4.76 0.00 2.85 2.86 0.00 0.00 7.04 7.72 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 45 D 7.86 4.35 0.00 2.82 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 46 S 7.24 4.99 0.00 4.09 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 47 E 9.09 4.80 0.00 1.91 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 2.24 2.27 0.00 48 V 8.40 4.87 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 0.84 0.00 0.00 1.00 0.00 0.00 49 L 8.87 4.83 0.00 1.66 1.59 0.97 1.07 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 50 V 8.27 5.07 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 0.70 0.00 0.00 1.01 0.00 0.00 51 F 9.39 4.98 0.00 3.04 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 52 Q 7.16 5.43 0.00 1.94 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.09 0.00 53 S 8.45 4.65 0.00 3.80 3.89 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 54 N 8.95 4.71 0.00 2.79 2.81 0.00 0.00 6.87 7.05 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 55 T 7.65 4.55 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 0.63 0.00 0.00 56 E 8.74 3.62 0.00 1.16 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 2.10 1.91 0.00 57 G 7.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.00 4.51 0.00 3.27 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.09 3.87 2.08 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.33 0.99 0.00 0.00 60 I 7.78 3.61 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.57 0.74 0.00 0.00 61 D 8.29 4.26 0.00 2.86 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 62 R 8.03 3.64 0.00 1.13 1.58 0.00 2.78 0.00 0.00 2.52 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 63 I 7.38 3.63 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.35 0.90 0.00 0.00 64 H 7.88 4.05 0.00 3.23 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.07 4.02 0.00 2.12 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 2.27 2.31 0.00 66 A 7.95 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.03 3.85 0.00 1.89 1.98 0.00 1.53 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 68 R 7.69 4.04 0.00 2.06 1.97 0.00 3.19 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 69 Q 7.83 4.50 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 70 G 7.99 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 0.00 0.00 0.00 71 V 7.91 3.62 2.14 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 0.86 0.00 0.00 0.95 0.00 0.00 72 G 8.84 4.13 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 0.00 0.00 0.00 73 F 7.97 4.93 0.00 3.12 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 74 V 8.65 5.05 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 1.00 0.00 0.00 0.96 0.00 0.00 75 V 8.88 4.88 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 1.13 0.00 0.00 1.05 0.00 0.00 76 I 8.88 5.06 1.88 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 1.21 1.64 0.90 0.00 0.00 77 N 9.54 5.36 0.00 2.80 2.86 0.00 0.00 6.97 8.20 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 78 A 8.83 4.32 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 79 G 8.34 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 80 A 8.54 4.08 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 81 Y 7.82 4.61 0.00 3.16 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 82 T 8.10 3.98 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 1.30 0.00 0.00 83 H 8.31 5.01 0.00 3.31 3.47 0.00 5.59 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 84 T 8.01 4.67 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 1.35 0.00 0.00 85 S 8.15 4.59 0.00 3.76 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 86 V 7.77 3.53 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 0.80 0.00 0.00 -0.22 0.00 0.00 87 G 7.80 3.53 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 0.00 88 I 7.72 3.61 1.81 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 1.34 0.39 0.81 0.00 0.00 89 R 7.54 3.82 0.00 2.11 2.08 0.00 3.09 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 90 D 8.08 4.39 0.00 2.88 2.66 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 91 A 7.92 4.05 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 92 L 7.82 3.87 0.00 1.67 1.60 -0.13 0.41 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 L 8.04 4.20 0.00 1.63 1.75 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.32 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 95 T 8.25 4.11 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 1.17 0.00 0.00 96 A 7.42 3.81 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 97 I 7.07 4.17 1.86 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 1.36 0.60 0.89 0.00 0.00 98 P 0.00 4.53 0.00 1.26 1.98 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 99 F 7.54 5.19 0.00 3.11 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 0.00 100 I 9.11 4.93 2.04 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 1.11 1.39 0.93 0.00 0.00 101 E 8.91 5.23 0.00 2.23 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 2.09 2.24 0.00 102 V 8.83 4.55 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 0.14 0.00 0.00 0.76 0.00 0.00 103 H 8.56 5.05 0.00 3.04 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.76 3.97 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.33 0.95 0.00 0.00 105 T 7.68 4.74 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 1.24 0.00 0.00 106 N 8.32 4.54 0.00 2.78 2.76 0.00 0.00 6.85 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 0.00 107 V 8.17 3.47 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 0.46 0.00 0.00 0.54 0.00 0.00 108 H 7.82 4.02 0.00 3.08 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.08 4.19 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 110 R 7.45 4.56 0.00 1.79 1.72 0.00 3.13 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 111 E 8.30 3.89 0.00 1.19 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 0.00 2.40 2.31 0.00 112 P 0.00 3.34 0.00 2.10 1.98 0.00 3.52 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 2.07 2.00 0.00 113 F 7.96 4.34 0.00 3.13 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 0.00 114 R 7.62 4.02 0.00 1.50 1.68 0.00 3.02 0.00 0.00 2.98 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.65 0.00 115 H 8.21 4.48 0.00 3.11 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.45 4.34 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 117 S 8.34 4.95 0.00 3.84 3.73 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 0.00 118 Y 8.94 4.65 0.00 3.04 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 0.00 119 L 7.90 4.68 0.00 1.85 2.03 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.44 4.42 0.00 3.93 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 0.00 121 D 8.08 4.70 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.42 4.43 0.00 1.90 1.95 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.59 7.81 123 A 7.29 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.91 3.76 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 0.85 0.00 0.00 0.77 0.00 0.00 125 A 7.35 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.08 4.67 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 0.97 0.00 0.00 0.99 0.00 0.00 127 I 8.37 4.36 1.75 0.00 0.00 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 1.00 0.36 0.81 0.00 0.00 128 C 8.59 4.67 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.31 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 0.00 130 L 7.77 4.39 0.00 1.59 1.76 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.86 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 0.00 132 V 8.37 4.00 2.19 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 0.81 0.00 0.00 1.08 0.00 0.00 133 Y 8.34 4.43 0.00 3.05 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 0.00 134 G 7.89 3.77 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 0.00 0.00 0.00 135 Y 7.83 4.18 0.00 3.18 2.93 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 0.00 136 T 8.18 4.21 4.35 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 1.36 0.00 0.00 137 A 7.92 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.93 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.97 3.60 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 0.91 0.00 0.00 140 E 8.01 3.92 0.00 2.11 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 0.00 2.50 2.52 0.00 141 Y 7.86 4.01 0.00 3.02 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 0.00 142 A 7.99 2.65 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.69 4.15 0.00 1.80 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.49 4.81 0.00 2.70 2.63 0.00 0.00 6.82 6.74 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 0.00 145 Y 7.88 4.27 0.00 2.84 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 0.00 146 Q 8.22 3.76 0.00 1.69 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 147 L 8.70 4.18 0.00 1.61 1.58 0.94 0.99 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 * Residues marked with a * may have inaccurate shift predictions.