NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5343 8.3493 120.3216 53.1848 40.9684 174.8738 *6 S 4.1692 8.0253 114.1843 57.9001 65.3638 174.5533 7 A 3.4517 8.0986 124.5782 55.5515 18.1367 180.2764 8 Q 3.9157 7.8315 115.5767 58.7763 28.7683 178.6768 9 A 3.9335 7.6424 121.8999 54.8214 18.3788 179.8552 10 I 3.4260 7.4095 118.3699 64.5306 37.2049 178.4696 11 I 3.5358 7.8607 120.9598 64.3906 36.4370 178.5314 12 R 3.7490 7.8167 119.1815 59.4471 29.7790 178.1801 13 E 3.8869 8.2844 118.5211 58.8424 29.6735 177.3456 14 L 4.2442 8.2272 116.2447 54.0199 42.1340 176.4590 15 G 3.7868 7.4826 105.5299 46.4468 0.0000 174.2888 16 L 4.5452 7.7028 118.5612 54.5457 42.5906 177.0515 17 E 5.0933 9.3015 120.9529 53.5181 34.1286 173.3962 18 P 4.3745 0.0000 0.0000 63.7231 31.7118 175.2563 19 H 4.7507 9.2645 123.2792 54.0908 31.1288 174.1739 20 P 4.2137 0.0000 0.0000 65.2470 31.3509 177.1051 21 E 4.4434 8.4021 114.2314 55.7390 30.3331 175.9540 22 G 4.2399 7.8796 107.0602 46.5907 0.0000 174.8738 23 G 3.6802 8.7429 107.6551 44.1839 0.0000 171.8990 24 F 5.5113 8.2074 115.7588 56.1405 43.0231 174.2321 25 Y 5.5860 9.7749 119.3663 57.1530 42.2051 172.8596 26 H 4.4315 8.8492 117.9703 54.9481 33.8084 172.1550 27 Q 4.4769 8.3326 128.0227 56.2832 29.1933 175.3425 28 T 4.4788 7.9752 115.2158 61.6608 70.4343 174.1731 29 F 4.7381 7.6118 121.6646 57.6627 42.8239 172.5191 30 R 4.3381 7.4993 124.8442 54.3011 32.3922 173.9513 31 D 4.1255 7.9749 127.0603 54.3602 41.7292 177.4886 32 K 3.9607 8.8201 124.3950 58.3337 32.8514 177.1673 33 A 4.2946 8.6587 122.9829 52.3051 19.6965 177.1258 34 G 3.3801 8.2577 107.0983 46.1250 0.0000 174.1461 35 G 4.0404 7.7497 107.6569 44.5853 0.0000 172.9077 36 E 4.1744 8.5311 116.6374 58.2428 29.9872 178.0436 37 R 3.9896 7.9062 116.8939 56.4447 30.7022 177.5103 38 G 4.1282 7.4321 101.6624 46.6304 0.0000 173.1223 39 H 4.4630 8.8161 118.6119 58.9886 29.5154 175.1473 40 S 5.0583 7.6323 110.8102 58.1602 66.0659 174.2042 41 T 5.1987 8.9038 109.2885 60.2007 72.6305 172.5620 42 A 5.4650 8.6581 122.5753 49.7622 23.3157 174.9762 43 I 4.7783 7.9531 117.3340 60.6057 42.1787 173.2158 44 Y 5.4660 8.8813 122.7058 56.9433 40.1802 174.3346 45 Y 5.4851 9.4406 124.3565 56.0607 43.0385 173.4941 46 L 5.6789 8.3789 126.5570 52.5473 46.1025 174.8491 47 L 5.1829 8.6216 124.1251 53.0861 45.5980 174.8886 48 E 5.2378 8.4556 118.6785 53.8618 34.2853 175.0137 49 K 3.5893 8.4703 122.6016 58.7535 32.0917 175.3510 50 G 4.0589 9.3260 122.8158 45.5022 0.0000 173.3875 51 V 3.6560 7.5738 116.7205 61.1447 31.7519 175.9820 52 R 4.7013 8.3100 122.9014 54.6404 33.1972 174.3142 53 S 4.9951 8.8676 114.4515 57.1331 63.6575 173.8394 54 H 4.7423 9.3309 125.2136 55.0491 29.6360 175.6621 55 W 4.9878 8.8724 120.5823 58.0542 29.5391 175.2164 56 H 5.2988 9.7080 119.1326 55.5178 32.2032 172.3710 57 R 4.6911 8.4676 113.9165 54.8777 33.0946 174.4669 58 V 4.3651 8.1895 121.2744 61.5592 32.2795 176.0182 59 T 3.8190 8.4502 120.5121 63.6736 69.1102 174.7254 60 D 5.0604 7.7444 119.4293 52.0734 40.2631 175.4424 61 A 4.6556 7.7835 118.2443 51.6483 22.9070 176.2735 62 V 4.0902 8.4081 120.5597 62.3569 33.2894 174.2583 63 E 5.1245 9.0038 128.5331 54.3957 32.4992 174.3754 64 V 4.8890 8.8889 126.9390 61.0294 34.3365 174.2672 65 W 5.1464 9.2788 128.0971 56.0432 31.2749 175.0608 66 H 5.3791 9.1431 120.5253 54.1361 32.2405 172.0629 67 Y 4.4461 9.1007 125.3589 57.8258 39.5268 174.6778 68 Y 4.8109 7.8276 122.4357 59.3251 41.1343 175.2661 69 A 4.2179 6.7029 117.6303 52.8705 22.9858 176.7784 70 G 3.4561 8.7277 106.3056 44.0553 0.0000 173.1191 71 A 4.3662 7.4825 120.4687 50.8606 19.4872 176.0828 72 P 4.6874 0.0000 0.0000 62.9067 33.3061 174.8987 73 I 5.1038 9.1100 119.3737 59.4551 41.5926 174.9157 74 A 4.8795 8.6644 126.5768 50.4308 20.8240 175.4957 75 L 4.5232 8.6049 125.5964 53.9819 44.3557 174.7609 76 H 5.3779 8.8398 123.9159 54.0044 31.4071 173.4213 77 L 5.4964 9.2204 122.9849 53.2152 45.5382 176.0483 78 S 5.1267 9.4421 117.6009 56.6910 64.3751 174.4572 79 Q 3.9906 9.1268 128.6819 59.0410 29.0315 176.8719 80 D 4.6349 8.1999 113.5750 53.3048 40.2842 177.0202 81 G 4.1199 8.6210 108.4285 45.6385 0.0000 173.8250 82 R 4.1315 8.7979 117.1492 57.5747 31.9524 175.3826 83 E 4.1674 8.2484 117.4090 56.1789 30.1648 176.2094 84 V 4.9785 8.1275 121.9661 60.0853 34.6333 174.7316 85 Q 4.6315 9.3185 121.7043 54.3717 32.7554 174.5169 86 T 4.7913 7.8023 117.3240 61.7733 71.8215 173.2413 87 F 4.9612 8.8763 125.2163 55.8906 42.6079 174.8587 88 T 4.6665 8.5001 119.5422 62.4656 69.8302 173.5648 89 L 4.7053 8.9288 131.1520 54.6482 43.2947 176.0485 90 G 3.6955 8.0106 112.9229 45.8439 0.0000 170.6855 91 P 4.4553 0.0000 0.0000 63.5200 32.5933 176.9030 92 A 4.2964 8.3282 124.9019 51.3580 15.9480 177.8507 93 I 4.1936 7.4630 121.0154 62.1568 38.6486 176.3468 94 L 4.5699 7.7859 117.5162 54.7673 41.7478 176.1277 95 E 4.5937 8.2499 118.3602 56.1315 30.4234 176.7961 96 G 3.9235 8.7421 105.1405 45.5483 0.0000 173.7066 97 E 4.8986 7.7343 118.3635 54.5894 32.0699 174.9960 98 R 4.9855 8.2077 119.3593 54.1420 34.4419 173.9160 99 P 4.7633 0.0000 0.0000 63.5063 32.7578 175.1669 100 Q 5.4576 8.0409 121.3616 53.8868 32.1217 174.2356 101 V 4.3439 8.2859 124.6148 60.1862 35.1913 174.0515 102 I 4.4348 8.2495 125.2928 59.9766 38.0186 175.5429 103 V 4.1588 8.8131 129.9140 60.9935 31.8523 173.9607 104 P 4.7997 0.0000 0.0000 62.2973 32.6801 175.6928 105 A 4.2363 8.4423 122.7473 53.0478 18.7602 176.8013 106 N 4.0193 8.7361 118.6962 54.3697 38.1914 172.9836 107 C 4.6125 7.3601 115.1924 57.1377 32.8261 173.5860 108 W 4.8024 8.9570 126.5174 57.3658 30.1385 175.1058 109 Q 5.8908 10.2473 121.0376 55.1757 31.9316 173.6004 110 S 4.9824 8.1793 114.0790 57.5592 66.5937 172.3205 111 A 5.4118 8.9001 121.7232 51.6416 23.2624 174.7413 112 E 4.9783 8.2646 115.1115 55.1974 32.8130 174.6313 113 S 4.6311 8.7436 116.7500 58.3322 63.3324 173.4742 114 L 4.5320 8.5194 124.9524 54.3844 41.8013 177.0294 115 G 3.8097 7.7137 110.8389 44.8924 0.0000 174.2015 116 D 4.7154 8.8776 119.2953 57.3022 42.2526 176.3094 117 F 5.2686 7.3601 110.2444 56.7429 41.2131 173.4555 118 T 5.1290 8.8317 116.2429 62.2722 72.9664 172.5961 119 L 5.0467 9.1201 129.4082 53.9333 43.9531 175.7377 120 V 4.5551 9.5329 118.8555 59.6147 36.7156 174.3026 121 G 4.6660 8.4558 107.8625 43.8529 0.0000 172.0564 122 C 5.2978 8.7273 118.8625 57.8072 32.4523 173.0648 123 T 4.9907 8.8788 114.2104 59.8784 71.0531 173.1046 124 V 4.3796 8.3687 127.1518 61.1722 32.9275 175.2756 125 S 4.3334 8.9292 125.1785 59.9476 61.8506 173.9184 126 P 4.0029 0.0000 0.0000 63.9620 31.8447 176.1119 127 G 3.7635 8.3342 107.9332 45.5091 0.0000 173.3627 128 F 3.8990 8.0317 128.0411 57.8762 40.0974 174.7065 129 A 4.3084 6.4846 128.7339 50.6242 22.0898 177.2155 130 F 3.9045 8.7659 122.2462 59.9757 39.1673 177.0627 131 S 4.5280 7.9556 113.2928 59.7369 63.2506 174.2035 132 S 4.7366 8.6004 118.5950 58.3852 64.4300 172.8144 133 F 5.2485 8.1131 121.3307 56.6073 41.6164 174.2451 134 V 4.3200 7.5092 123.7606 61.5548 35.6369 173.1688 *136 A 4.0482 8.3725 123.5851 51.2968 19.4660 176.3043 137 E 4.1361 8.0496 119.1821 55.3351 30.1752 175.3792 138 P 4.6644 0.0000 0.0000 64.6467 31.6826 175.1401 139 G 4.2006 9.1466 108.4427 45.4424 0.0000 173.9911 140 W 4.2330 7.6194 127.8730 57.9912 31.1838 175.1068 141 S 3.5108 6.2864 116.9694 55.6004 66.2367 172.6120 142 P 3.0789 0.0000 0.0000 63.4962 31.1081 176.4440 143 G 3.4750 8.1795 109.5991 45.4419 0.0000 173.5258 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 4 D 8.35 4.53 0.00 2.85 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 *6 S 8.03 4.17 0.00 4.03 4.03 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 7 A 8.10 3.45 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 8 Q 7.83 3.92 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 9 A 7.64 3.93 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 10 I 7.41 3.43 1.68 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 1.25 0.26 0.70 0.00 0.00 11 I 7.86 3.54 1.75 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.41 0.72 0.00 0.00 12 R 7.82 3.75 0.00 1.86 2.05 0.00 3.08 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 13 E 8.28 3.89 0.00 1.86 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 2.22 2.23 0.00 14 L 8.23 4.24 0.00 1.60 1.65 0.15 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.48 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 0.00 0.00 0.00 16 L 7.70 4.55 0.00 1.54 1.76 1.00 0.78 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 17 E 9.30 5.09 0.00 1.79 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 2.36 2.34 0.00 18 P 0.00 4.37 0.00 1.97 1.83 0.00 3.87 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 2.03 2.02 0.00 19 H 9.26 4.75 0.00 3.28 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 1.99 2.08 0.00 2.76 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 21 E 8.40 4.44 0.00 2.32 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 22 G 7.88 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 23 G 8.74 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 0.00 0.00 0.00 24 F 8.21 5.51 0.00 3.03 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 25 Y 9.77 5.59 0.00 3.44 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 26 H 8.85 4.43 0.00 3.23 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.33 4.48 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 28 T 7.98 4.48 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 0.81 0.00 0.00 29 F 7.61 4.74 0.00 3.02 2.83 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 30 R 7.50 4.34 0.00 1.62 1.51 0.00 3.21 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.53 0.00 31 D 7.97 4.13 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 3.96 0.00 1.78 1.83 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.38 7.81 33 A 8.66 4.29 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 34 G 8.26 3.38 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 0.00 35 G 7.75 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 36 E 8.53 4.17 0.00 1.92 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 0.00 2.27 2.36 0.00 37 R 7.91 3.99 0.00 1.75 1.93 0.00 3.17 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 38 G 7.43 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 39 H 8.82 4.46 0.00 3.23 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.63 5.06 0.00 4.03 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 41 T 8.90 5.20 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 1.20 0.00 0.00 42 A 8.66 5.46 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 43 I 7.95 4.78 1.76 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 1.55 0.64 0.91 0.00 0.00 44 Y 8.88 5.47 0.00 3.01 2.88 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 45 Y 9.44 5.49 0.00 2.83 2.61 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 0.00 0.00 0.00 46 L 8.38 5.68 0.00 1.70 1.43 0.76 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.62 5.18 0.00 1.69 1.71 1.18 0.93 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 48 E 8.46 5.24 0.00 2.01 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 2.30 2.40 0.00 49 K 8.47 3.59 0.00 1.97 1.77 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.49 7.81 50 G 9.33 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 51 V 7.57 3.66 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 0.98 0.00 0.00 1.16 0.00 0.00 52 R 8.31 4.70 0.00 2.12 2.10 0.00 2.87 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 53 S 8.87 5.00 0.00 4.32 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.33 4.74 0.00 3.19 3.44 0.00 5.92 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.87 4.99 0.00 3.33 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 56 H 9.71 5.30 0.00 2.90 3.45 0.00 5.27 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 57 R 8.47 4.69 0.00 1.51 1.30 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.02 0.00 58 V 8.19 4.37 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 1.23 0.00 0.00 1.26 0.00 0.00 59 T 8.45 3.82 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 1.04 0.00 0.00 60 D 7.74 5.06 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.78 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.41 4.09 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 1.05 0.00 0.00 0.98 0.00 0.00 63 E 9.00 5.12 0.00 2.18 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 2.30 2.18 0.00 64 V 8.89 4.89 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 0.87 0.00 0.00 0.98 0.00 0.00 65 W 9.28 5.15 0.00 3.22 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 66 H 9.14 5.38 0.00 2.69 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 9.10 4.45 0.00 3.10 2.88 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 68 Y 7.83 4.81 0.00 2.93 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 69 A 6.70 4.22 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 70 G 8.73 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.48 4.37 1.17 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 0.00 0.00 72 P 0.00 4.69 0.00 2.08 2.10 0.00 3.60 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 2.04 1.94 0.00 73 I 9.11 5.10 2.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.89 0.00 0.00 74 A 8.66 4.88 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 75 L 8.60 4.52 0.00 1.39 1.38 -0.36 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.84 5.38 0.00 2.65 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.22 5.50 0.00 1.66 1.69 1.12 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 78 S 9.44 5.13 0.00 3.91 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 79 Q 9.13 3.99 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 80 D 8.20 4.63 0.00 2.87 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 81 G 8.62 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.80 4.13 0.00 1.64 2.12 0.00 3.20 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 83 E 8.25 4.17 0.00 2.14 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 2.41 2.35 0.00 84 V 8.13 4.98 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 0.71 0.00 0.00 1.13 0.00 0.00 85 Q 9.32 4.63 0.00 1.71 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 86 T 7.80 4.79 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 1.14 0.00 0.00 87 F 8.88 4.96 0.00 2.86 2.83 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 88 T 8.50 4.67 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 1.18 0.00 0.00 89 L 8.93 4.71 0.00 1.74 1.59 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.01 3.70 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 0.00 0.00 0.00 91 P 0.00 4.46 0.00 2.12 2.02 0.00 3.27 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 1.71 1.67 0.00 92 A 8.33 4.30 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 93 I 7.46 4.19 1.97 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 1.43 1.86 0.91 0.00 0.00 94 L 7.79 4.57 0.00 1.66 1.67 0.92 0.82 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 95 E 8.25 4.59 0.00 1.88 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 2.21 2.19 0.00 96 G 8.74 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 97 E 7.73 4.90 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 98 R 8.21 4.99 0.00 1.60 1.85 0.00 3.25 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 99 P 0.00 4.76 0.00 2.27 2.41 0.00 3.65 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 2.12 2.01 0.00 100 Q 8.04 5.46 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 101 V 8.29 4.34 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 0.75 0.00 0.00 0.71 0.00 0.00 102 I 8.25 4.43 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.93 0.00 0.00 103 V 8.81 4.16 2.34 0.00 0.00 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 1.01 0.00 0.00 104 P 0.00 4.80 0.00 2.18 2.20 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 105 A 8.44 4.24 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 0.00 106 N 8.74 4.02 0.00 2.94 2.78 0.00 0.00 7.05 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 7.36 4.61 0.00 3.43 3.04 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 0.00 108 W 8.96 4.80 0.00 3.67 3.33 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 0.00 109 Q 10.25 5.89 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.00 0.00 110 S 8.18 4.98 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 0.00 111 A 8.90 5.41 1.04 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 0.00 112 E 8.26 4.98 0.00 1.99 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 2.25 2.25 0.00 113 S 8.74 4.63 0.00 3.99 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 0.00 114 L 8.52 4.53 0.00 1.65 1.65 0.90 0.75 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 0.00 115 G 7.71 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.88 4.72 0.00 2.68 2.88 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 0.00 117 F 7.36 5.27 0.00 3.12 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 0.00 118 T 8.83 5.13 4.39 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 1.46 0.00 0.00 119 L 9.12 5.05 0.00 1.87 1.61 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 120 V 9.53 4.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.12 0.00 0.00 121 G 8.46 4.67 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 0.00 0.00 0.00 122 C 8.73 5.30 0.00 2.50 2.54 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 0.00 123 T 8.88 4.99 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 1.21 0.00 0.00 124 V 8.37 4.38 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 1.14 0.00 0.00 0.98 0.00 0.00 125 S 8.93 4.33 0.00 3.97 3.75 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 0.00 0.00 0.00 126 P 0.00 4.00 0.00 2.12 2.12 0.00 3.74 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 2.12 0.00 127 G 8.33 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 0.00 128 F 8.03 3.90 0.00 2.92 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 0.00 129 A 6.48 4.31 1.03 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 0.00 0.00 130 F 8.77 3.90 0.00 3.18 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 0.00 131 S 7.96 4.53 0.00 3.95 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 0.00 132 S 8.60 4.74 0.00 3.55 3.75 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 0.00 0.00 0.00 133 F 8.11 5.25 0.00 2.89 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.51 4.32 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 0.91 0.00 0.00 0.82 0.00 0.00 *136 A 8.37 4.05 0.43 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 0.00 137 E 8.05 4.14 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 2.26 2.23 0.00 138 P 0.00 4.66 0.00 2.26 2.17 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 139 G 9.15 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 W 7.62 4.23 0.00 3.19 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 0.00 141 S 6.29 3.51 0.00 3.42 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 0.00 142 P 0.00 3.08 0.00 1.76 1.52 0.00 2.61 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 1.50 1.25 0.00 143 G 8.18 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.