NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6850 8.4201 119.2045 53.2013 41.6828 175.7737 0 A 4.0225 8.1684 127.2264 52.7422 18.0439 177.2263 2 K 4.0895 9.0229 115.5324 57.1986 32.1570 173.4124 3 K 4.0770 8.3234 129.3689 57.6427 32.9444 177.0522 4 G 3.8752 8.9367 107.4241 44.4556 0.0000 172.7422 5 T 4.4287 8.1682 106.2967 60.9664 70.0488 174.4224 6 V 4.0066 7.5862 122.3649 61.8917 30.2410 174.5596 7 L 4.3078 8.0623 126.1803 55.8633 42.7786 177.9794 8 N 4.4603 7.9595 117.7426 53.3343 40.4696 175.6284 9 S 4.1472 8.6151 122.8756 61.6602 63.2695 176.5878 10 E 3.9944 8.1988 121.7751 59.0432 29.3350 179.1203 11 I 3.6947 8.0206 119.9106 64.4301 37.1930 178.5944 12 S 4.1074 8.1521 115.9705 61.6432 62.4532 176.7554 13 S 4.0780 7.8951 114.6857 61.3413 62.4558 176.2780 14 V 3.7682 8.0629 122.1560 64.9556 31.1309 178.4024 15 I 3.7351 7.9543 120.9083 63.8974 36.7562 178.1315 16 S 4.3370 7.9567 113.0013 59.9382 63.1298 175.2095 17 R 4.3344 7.5126 121.0116 55.7251 30.8501 176.0192 18 L 4.2660 7.2880 118.5122 55.0465 42.3955 176.2922 19 G 4.1664 9.2101 111.1384 43.0684 0.0000 171.7621 20 H 4.4958 8.5679 118.9146 57.9300 29.8695 175.4589 21 T 3.4722 8.9096 116.3822 61.6340 68.9315 171.9650 22 D 4.6785 7.8517 122.7099 54.9650 42.1841 175.5130 23 T 5.1522 8.3927 110.2152 59.9162 72.7770 172.3273 24 L 5.1284 8.7291 123.8996 53.4700 45.7855 174.9830 25 V 4.8654 8.7633 125.9434 61.1821 34.1863 174.2118 26 V 4.9801 8.7327 127.5316 61.3348 33.8220 174.1363 27 C 5.6930 9.1510 122.0436 56.3694 33.5746 172.8940 28 D 5.2226 9.5340 119.7398 52.0586 40.8801 177.2895 29 A 4.0620 8.9547 121.4769 54.2245 18.2698 178.5214 30 G 3.9426 7.9920 102.9106 45.0449 0.0000 173.8609 31 L 4.1511 7.5193 122.8225 53.9540 42.6527 174.8197 32 P 4.4847 0.0000 0.0000 62.5423 32.1833 175.5263 33 I 4.4490 7.9914 120.8935 58.8478 39.1622 174.1033 34 P 4.4797 0.0000 0.0000 62.2874 31.8056 176.9826 35 N 4.6306 8.5685 117.7423 54.2538 37.6858 175.8427 36 S 4.4311 7.9095 112.6870 59.1907 63.4968 173.5918 37 T 4.5984 7.4643 114.4465 59.9881 70.4383 173.0079 38 A 4.2091 8.1100 127.6893 51.9680 19.7978 176.3646 39 R 4.6190 8.5506 122.0066 54.7936 31.8586 175.4722 40 I 4.3614 8.6598 128.4163 59.8452 38.8555 174.5190 41 D 4.9534 8.5453 126.4049 52.7205 43.1468 175.3607 *43 A 4.0416 8.2797 123.5273 52.2824 19.0969 175.8743 44 L 4.2294 8.7746 124.8028 56.7188 43.0997 175.9110 45 T 4.3794 7.3858 109.9874 60.6939 70.1160 171.7188 46 Q 4.0191 8.6514 122.1221 57.7897 28.6576 178.0990 47 G 3.8755 9.3001 111.2061 45.4717 0.0000 173.0527 48 V 4.4378 8.0831 120.4160 60.2439 34.2877 173.3168 49 P 4.9864 0.0000 0.0000 62.1520 33.2845 175.8554 50 S 4.6510 9.1546 115.9592 57.2993 64.7508 175.1352 51 F 4.2757 9.1690 119.2330 59.8115 39.2754 176.7209 *53 Q 4.1791 8.1269 119.7912 55.7252 30.6696 177.8259 54 V 3.4798 7.5983 116.5546 65.8872 31.5322 178.1168 55 V 3.3789 7.5152 118.1856 65.9393 31.0266 177.2446 56 D 4.2467 7.7894 115.7431 57.4973 41.4162 178.0355 57 V 3.6854 7.5989 118.3822 65.8838 31.6434 177.9296 58 V 3.5868 8.0321 118.6334 66.3031 31.1875 177.7173 59 T 4.1692 7.8279 106.5065 63.4568 68.8803 176.3489 60 R 4.0462 7.6678 120.6352 58.1339 30.5578 176.7042 61 E 4.4559 7.7468 117.9628 55.7580 30.0729 176.5564 *63 Q 4.2027 7.8564 117.3819 55.9774 30.6639 175.2344 64 V 4.8645 8.7703 125.0682 61.2200 32.2976 175.1454 65 E 4.6954 9.4170 125.0526 56.7503 31.9486 175.2628 66 A 4.8121 7.6273 120.0465 50.9650 23.0255 174.8103 67 A 5.1451 9.3792 120.8445 50.3127 23.0160 175.3018 68 I 4.9992 8.9881 122.4779 59.5402 40.5616 174.8721 69 L 5.3303 8.6832 124.4335 52.6549 46.6169 175.7970 70 A 4.6847 8.1839 123.6331 52.0534 19.4134 178.8895 71 T 3.8409 9.1077 120.0771 67.0148 68.4907 176.7597 72 E 3.6710 7.8617 119.6060 59.1213 29.2180 179.0242 73 I 3.6678 7.5513 118.7424 63.6260 37.6870 178.0229 74 K 3.7739 7.4713 118.8227 59.5867 31.9802 178.8356 75 Q 4.1433 7.8055 115.9898 58.0257 29.0988 177.3576 76 Q 4.4992 7.8043 116.2009 55.7386 30.7638 175.6305 77 N 5.0345 8.1973 119.5707 50.6576 39.7308 173.5129 78 P 4.3029 0.0000 0.0000 66.1342 31.8923 178.1242 79 Q 3.9904 8.0439 117.3164 58.7747 28.6820 178.4710 80 L 4.0010 7.9963 120.7962 58.1732 42.2221 177.8606 81 H 4.2227 8.4514 118.7741 59.6270 29.7356 176.9578 82 E 3.9399 8.3657 119.0811 59.6880 29.5249 178.9452 83 T 3.9351 7.9222 116.6120 66.3394 68.4216 176.2944 84 L 4.0859 8.2899 122.2442 58.1807 42.1776 178.9685 85 L 4.0394 8.1223 118.9980 58.0822 41.5485 179.6113 86 T 4.0357 8.3985 116.0859 66.9429 68.3283 176.1221 87 H 4.2000 8.3411 120.0101 59.3969 29.9521 177.3584 88 L 3.8896 8.3610 121.1286 57.5078 41.2099 179.1552 89 E 3.9392 8.2724 119.5876 59.4610 29.5335 178.9710 90 Q 4.1633 8.1647 118.1335 58.6036 28.6731 178.3188 91 L 3.9186 8.1431 122.0359 58.1797 42.1769 179.0810 92 Q 4.3631 8.0711 118.9308 58.7641 28.2147 178.5607 93 Q 3.9381 7.6388 119.1331 59.1427 28.9184 177.6118 94 H 4.1996 8.1513 117.8534 59.7145 29.8896 176.8009 95 Q 4.2305 8.4316 118.6131 56.3925 28.6450 176.8221 96 G 3.8942 8.1454 107.5696 46.0655 0.0000 172.6272 97 N 4.9601 7.7566 117.1150 51.0896 40.1996 172.0688 98 T 4.6099 8.2604 112.0894 60.6281 69.1882 173.7634 99 I 4.3020 8.9155 131.6258 60.3731 37.8818 175.9454 100 K 4.1944 8.6853 129.8049 56.2388 33.2602 175.4848 101 I 5.0205 8.3721 128.1087 59.5882 39.3766 174.9203 102 S 4.7552 8.6778 120.2036 56.8649 67.1029 172.2623 103 Y 5.3854 8.5450 117.0745 56.5695 41.3565 174.8523 104 T 4.9786 8.9408 112.6080 59.6833 73.3540 173.3384 105 T 4.2567 8.4109 111.1109 61.5665 69.6343 174.8402 106 H 4.3274 8.7980 121.9995 59.5579 29.6433 177.5140 107 E 3.9478 8.2665 119.9735 59.6526 29.3734 179.0493 108 Q 4.0029 7.9999 118.9646 58.7305 29.1140 177.5508 109 F 4.0316 8.7750 122.3487 61.5101 39.2002 177.2042 110 K 4.0457 8.2112 116.4533 59.5265 32.1656 179.1138 111 K 4.1038 7.8737 118.6098 59.5609 31.9928 179.4163 112 L 3.9686 7.9852 119.3923 57.8199 41.5128 179.5924 113 T 3.7153 7.7570 109.5402 64.5878 68.2415 176.2113 114 A 4.0578 7.6744 122.6189 54.3260 18.4199 178.1677 115 D 4.6737 7.7378 115.4068 53.4705 41.6107 176.8944 116 S 5.0063 7.0370 114.0055 57.1100 64.4536 174.5283 117 Q 4.0800 9.0274 120.5097 58.8787 28.8744 176.2202 118 A 4.8923 7.4720 116.4212 50.8772 22.9681 175.3165 119 V 4.6251 8.7019 120.3381 61.2532 34.1335 174.6286 120 I 4.7323 9.1122 130.3786 60.0323 38.4878 174.7973 121 R 4.6867 8.8467 129.6767 55.4467 30.7292 176.3562 122 S 4.6438 8.8384 122.0393 57.0294 65.5474 174.0685 123 G 4.0052 8.9721 105.3674 46.2799 0.0000 173.4059 124 E 4.4570 8.2849 123.0520 56.8972 30.1828 176.9834 125 C 4.7082 8.7255 122.7117 59.7666 29.9115 174.3686 126 S 4.3215 7.6933 112.1891 57.0504 63.3687 172.1814 127 P 4.0889 0.0000 0.0000 63.6670 31.5926 175.9063 128 Y 3.3650 7.6664 117.7086 59.1528 35.7238 171.3524 129 A 3.9238 7.2496 121.2549 50.5254 16.2307 177.3248 130 N 5.5119 7.4211 116.7624 50.8618 43.3939 175.2975 131 V 5.0440 9.4927 122.0873 60.3319 35.6351 174.0551 132 I 4.7794 8.8979 124.3863 60.0573 38.9877 174.4783 133 L 5.0205 9.0528 128.0046 53.4851 43.9325 175.2321 134 C 5.1884 8.9791 121.4472 57.8238 30.6703 173.0616 135 A 4.6666 8.9598 126.5784 51.8916 19.1189 176.6097 136 G 4.3907 8.0923 106.9621 46.4640 0.0000 173.3049 137 V 4.6295 8.2452 114.1442 58.9256 35.5249 175.8887 138 T 3.9816 8.4375 114.9480 62.5737 67.1351 173.9852 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 N 8.42 4.69 0.00 2.68 2.91 0.00 0.00 6.99 7.08 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 0 A 8.17 4.02 1.23 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 2 K 9.02 4.09 0.00 1.80 2.09 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 K 8.32 4.08 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.17 4.43 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 1.21 0.00 0.00 6 V 7.59 4.01 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 0.82 0.00 0.00 0.99 0.00 0.00 7 L 8.06 4.31 0.00 1.66 1.70 0.92 1.07 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 8 N 7.96 4.46 0.00 2.75 2.68 0.00 0.00 6.99 7.63 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 9 S 8.62 4.15 0.00 4.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.20 3.99 0.00 2.15 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 2.40 2.34 0.00 11 I 8.02 3.69 1.86 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 1.52 0.78 0.90 0.00 0.00 12 S 8.15 4.11 0.00 4.01 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 13 S 7.90 4.08 0.00 3.94 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 14 V 8.06 3.77 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 15 I 7.95 3.74 1.92 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 1.57 1.30 0.90 0.00 0.00 16 S 7.96 4.34 0.00 4.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.51 4.33 0.00 2.07 2.08 0.00 3.26 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 18 L 7.29 4.27 0.00 1.73 1.58 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.21 4.17 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 0.00 20 H 8.57 4.50 0.00 3.09 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.91 3.47 4.14 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 0.88 0.00 0.00 22 D 7.85 4.68 0.00 2.82 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 23 T 8.39 5.15 4.27 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 1.22 0.00 0.00 24 L 8.73 5.13 0.00 1.73 1.48 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.76 4.87 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 1.03 0.00 0.00 0.86 0.00 0.00 26 V 8.73 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 0.95 0.00 0.00 0.89 0.00 0.00 27 C 9.15 5.69 0.00 3.28 3.14 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 28 D 9.53 5.22 0.00 2.94 2.91 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 29 A 8.95 4.06 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 30 G 7.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.52 4.15 0.00 1.76 1.65 1.10 1.10 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 32 P 0.00 4.48 0.00 2.24 2.05 0.00 3.83 0.00 0.00 3.69 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 33 I 7.99 4.45 1.89 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 1.45 0.85 0.92 0.00 0.00 34 P 0.00 4.48 0.00 2.17 1.96 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 35 N 8.57 4.63 0.00 2.81 2.94 0.00 0.00 6.12 7.64 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 36 S 7.91 4.43 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 37 T 7.46 4.60 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 1.29 0.00 0.00 38 A 8.11 4.21 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 39 R 8.55 4.62 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 40 I 8.66 4.36 1.88 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 1.12 0.68 0.91 0.00 0.00 41 D 8.55 4.95 0.00 2.69 2.55 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 *43 A 8.28 4.04 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 44 L 8.77 4.23 0.00 1.59 1.85 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.39 4.38 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 1.21 0.00 0.00 46 Q 8.65 4.02 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.30 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.08 4.44 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 1.07 0.00 0.00 0.94 0.00 0.00 49 P 0.00 4.99 0.00 2.16 2.16 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 50 S 9.15 4.65 0.00 4.09 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.17 4.28 0.00 3.07 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 *53 Q 8.13 4.18 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.60 3.48 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 1.04 0.00 0.00 0.99 0.00 0.00 55 V 7.52 3.38 1.71 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 0.87 0.00 0.00 0.05 0.00 0.00 56 D 7.79 4.25 0.00 2.50 2.76 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 57 V 7.60 3.69 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 0.92 0.00 0.00 0.93 0.00 0.00 58 V 8.03 3.59 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 0.97 0.00 0.00 0.94 0.00 0.00 59 T 7.83 4.17 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 1.24 0.00 0.00 60 R 7.67 4.05 0.00 2.00 2.01 0.00 3.11 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 61 E 7.75 4.46 0.00 1.95 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 2.24 2.23 0.00 *63 Q 7.86 4.20 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 8.77 4.86 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 0.81 0.00 0.00 0.92 0.00 0.00 65 E 9.42 4.70 0.00 2.03 2.22 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 2.36 2.24 0.00 66 A 7.63 4.81 1.23 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 67 A 9.38 5.15 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.99 5.00 1.89 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 1.20 0.85 1.00 0.00 0.00 69 L 8.68 5.33 0.00 1.36 1.57 1.05 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.18 4.68 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.11 3.84 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 72 E 7.86 3.67 0.00 1.16 1.12 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 1.77 2.07 0.00 73 I 7.55 3.67 1.80 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 1.50 1.32 0.88 0.00 0.00 74 K 7.47 3.77 0.00 1.67 1.71 0.00 1.36 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.02 7.81 75 Q 7.81 4.14 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 76 Q 7.80 4.50 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.32 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 77 N 8.20 5.03 0.00 2.80 2.64 0.00 0.00 6.81 7.03 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 78 P 0.00 4.30 0.00 2.31 2.45 0.00 3.76 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 2.08 2.06 0.00 79 Q 8.04 3.99 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 80 L 8.00 4.00 0.00 1.88 1.74 1.00 0.56 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 81 H 8.45 4.22 0.00 3.34 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.37 3.94 0.00 2.28 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 2.68 0.00 83 T 7.92 3.94 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 1.26 0.00 0.00 84 L 8.29 4.09 0.00 2.06 2.00 1.07 0.77 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 85 L 8.12 4.04 0.00 1.86 1.72 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.40 4.04 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 1.23 0.00 0.00 87 H 8.34 4.20 0.00 3.27 3.54 0.00 5.78 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 88 L 8.36 3.89 0.00 1.85 1.70 0.96 0.67 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 89 E 8.27 3.94 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 90 Q 8.16 4.16 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 91 L 8.14 3.92 0.00 1.68 1.75 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.07 4.36 0.00 2.60 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.34 0.00 93 Q 7.64 3.94 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 94 H 8.15 4.20 0.00 3.36 3.35 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.43 4.23 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.14 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 96 G 8.15 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 0.00 0.00 0.00 97 N 7.76 4.96 0.00 2.81 2.92 0.00 0.00 5.51 7.22 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 98 T 8.26 4.61 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 1.21 0.00 0.00 99 I 8.92 4.30 1.97 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 1.20 0.66 0.90 0.00 0.00 100 K 8.69 4.19 0.00 1.88 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 101 I 8.37 5.02 1.86 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 1.39 0.61 0.63 0.00 0.00 102 S 8.68 4.76 0.00 3.85 3.87 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 0.00 103 Y 8.54 5.39 0.00 2.86 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 0.00 104 T 8.94 4.98 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 1.27 0.00 0.00 105 T 8.41 4.26 4.27 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 1.23 0.00 0.00 106 H 8.80 4.33 0.00 3.40 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.27 3.95 0.00 2.05 2.02 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 2.44 2.35 0.00 108 Q 8.00 4.00 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.77 4.03 0.00 3.29 3.31 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 0.00 110 K 8.21 4.05 0.00 2.03 1.89 0.00 1.77 0.00 0.00 1.39 0.00 0.00 3.29 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.61 7.81 111 K 7.87 4.10 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 7.99 3.97 0.00 1.61 1.55 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.76 3.72 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 1.03 0.00 0.00 114 A 7.67 4.06 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 0.00 115 D 7.74 4.67 0.00 2.72 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 0.00 116 S 7.04 5.01 0.00 4.12 3.80 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 0.00 117 Q 9.03 4.08 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 118 A 7.47 4.89 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 0.00 119 V 8.70 4.63 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 1.03 0.00 0.00 0.94 0.00 0.00 120 I 9.11 4.73 1.89 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 1.12 0.48 0.92 0.00 0.00 121 R 8.85 4.69 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 122 S 8.84 4.64 0.00 4.11 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 0.00 123 G 8.97 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 0.00 124 E 8.28 4.46 0.00 2.35 1.89 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 2.26 2.38 0.00 125 C 8.73 4.71 0.00 2.86 2.91 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 0.00 126 S 7.69 4.32 0.00 3.99 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 0.00 127 P 0.00 4.09 0.00 2.14 1.87 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 128 Y 7.67 3.37 0.00 3.01 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 0.00 129 A 7.25 3.92 0.74 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 0.00 130 N 7.42 5.51 0.00 2.15 2.87 0.00 0.00 6.98 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 0.00 131 V 9.49 5.04 2.41 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 1.10 0.00 0.00 1.08 0.00 0.00 132 I 8.90 4.78 1.79 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.09 0.82 0.00 0.00 133 L 9.05 5.02 0.00 1.65 1.57 0.91 0.74 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 0.00 134 C 8.98 5.19 0.00 2.82 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 0.00 135 A 8.96 4.67 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 0.00 136 G 8.09 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 0.00 0.00 0.00 0.00 137 V 8.25 4.63 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 0.78 0.00 0.00 0.89 0.00 0.00 138 T 8.44 3.98 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 * Residues marked with a * may have inaccurate shift predictions.