NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4583 8.4129 118.1172 56.6534 41.9209 172.5514 2 E 4.4697 8.1097 116.7037 55.1112 31.3142 169.0657 3 E 4.3642 9.5607 115.9732 57.5094 31.1643 174.5445 4 P 3.8444 0.0000 0.0000 61.4988 31.9960 174.6786 5 P 4.3110 0.0000 0.0000 63.3263 31.8517 175.9859 6 T 4.6025 7.9215 110.5401 60.4940 70.5365 173.5489 7 F 4.6612 8.3181 122.6262 56.6821 43.1573 175.1073 8 E 4.2703 8.7798 116.3818 56.9973 30.2497 175.5468 9 A 3.7600 7.8731 117.5341 51.8756 21.5238 176.1850 10 M 5.1517 7.7751 111.3465 53.5438 34.7679 174.5946 11 E 5.0148 9.1712 118.7275 54.6991 33.5708 173.3631 12 L 4.6659 8.4156 120.9405 53.9139 43.4333 176.4665 13 I 3.8658 7.9511 127.5502 62.0230 37.8688 177.2002 14 G 3.7546 8.8983 117.5902 44.8534 0.0000 173.2761 15 K 4.1671 8.1447 119.6888 53.6088 32.2458 171.1159 16 P 4.4457 0.0000 0.0000 62.1670 31.9714 176.6152 17 K 4.6329 8.3430 124.5175 52.2762 33.4680 172.0380 18 P 4.6789 0.0000 0.0000 64.6775 31.5923 177.3033 *19 Y 5.3650 7.7126 119.3782 55.5582 40.1726 177.4420 *20 Y 4.7082 8.5378 124.4534 54.8622 39.8649 173.6644 21 E 4.2041 8.7588 120.1300 56.3104 31.9600 176.8193 22 I 4.0491 8.9464 122.3104 63.1050 37.0267 174.1131 23 G 3.5033 7.8948 113.7431 44.7838 0.0000 172.1807 24 E 4.1256 8.3725 124.3411 57.1275 30.8195 176.9436 25 R 5.6341 8.7794 125.0918 54.2897 29.9881 173.1851 26 V 3.7448 7.9835 125.3675 61.0707 33.2724 175.1546 27 D 5.0899 8.3804 122.7875 52.9765 43.6075 174.7820 28 Y 5.2447 8.4847 118.4582 56.0846 41.2740 175.1154 29 K 4.7535 8.5840 119.5658 55.0183 36.4927 174.8755 30 C 4.9031 8.7194 118.5903 56.7975 39.8591 173.9976 31 K 4.3561 8.9451 122.5694 55.6458 33.2574 176.5133 32 K 3.9317 8.6697 122.6369 58.7561 32.4035 176.9186 33 G 3.8019 9.3835 113.8510 44.9422 0.0000 171.9576 34 Y 5.6180 7.8848 116.2663 56.2668 41.4917 175.0510 35 F 5.2287 9.3215 115.6057 55.4381 41.8974 173.1624 36 Y 4.9887 8.8259 121.6313 57.2405 40.4733 173.9830 37 I 4.3704 7.5052 125.3600 58.5281 40.4948 173.9381 38 P 4.2854 0.0000 0.0000 61.7128 31.7360 174.3248 39 P 4.7428 0.0000 0.0000 62.6462 32.0616 176.0307 40 L 3.8090 7.9486 119.0957 55.0453 40.9062 182.2209 41 A 4.4640 8.3934 126.7199 51.3581 19.4907 176.6738 42 T 4.7271 8.1037 105.2456 61.4442 70.8390 172.7395 43 H 5.5363 7.7294 116.8324 54.7919 32.1410 172.4875 44 T 4.6289 8.4480 110.4593 61.4668 70.8578 173.1340 45 I 5.3084 8.4448 128.7927 59.9015 40.3716 174.5767 46 C 4.8863 8.5770 122.9204 54.8074 43.3989 173.2778 47 D 4.5510 8.1503 126.2371 52.7202 39.7578 177.2706 48 R 3.8105 8.5922 117.2808 59.5280 30.6145 177.7946 49 N 4.8191 7.4166 119.2158 53.6600 39.3200 175.1630 50 H 4.7949 8.5567 112.3225 56.2348 29.9099 172.4201 51 T 4.5213 7.5759 107.6288 59.4911 72.3796 172.9170 52 W 5.0355 8.3538 121.7352 55.5946 30.2979 176.5111 53 L 4.3545 8.4088 123.7892 54.2539 42.2215 175.1337 54 P 4.6780 0.0000 0.0000 62.8110 31.8166 176.9774 55 V 4.4121 8.2032 121.8537 60.6506 33.9657 172.9762 56 S 4.8987 8.2120 117.1336 56.4500 66.1054 173.1287 57 D 4.2788 8.3236 120.0067 53.5007 39.1379 176.5939 58 D 4.4047 7.5251 117.3554 55.5749 42.5507 178.0043 59 A 3.9889 7.5936 120.8696 54.0422 19.8197 177.7599 60 C 5.0413 7.7714 113.1686 56.3982 42.1705 173.1031 61 Y 4.9054 8.6852 121.4449 55.9016 41.1278 175.3294 62 R 4.1168 8.7054 120.3294 55.7625 31.3720 176.6020 63 E 4.3398 9.1563 123.1681 57.3845 30.5748 176.4381 64 T 5.2051 8.4831 112.8703 60.4406 71.6971 173.9754 65 C 4.8509 8.4358 119.4747 54.3261 42.3463 172.4603 66 P 4.5291 0.0000 0.0000 62.8980 31.5520 175.9146 67 Y 4.5679 8.8362 122.8037 58.3074 39.1370 175.4853 68 I 4.1784 7.6360 126.0270 59.2037 38.9774 176.1482 69 R 3.8556 7.9304 124.3418 55.2790 30.7223 176.2406 70 D 4.4556 8.5019 120.1642 53.9473 41.3728 175.1222 71 P 4.2080 0.0000 0.0000 62.3027 31.9688 175.5263 72 L 3.9962 8.2290 123.5113 56.7136 42.4354 176.7454 73 N 4.1229 8.9835 121.2864 53.4324 36.5787 173.2962 74 G 4.4159 7.6938 107.0294 46.0400 0.0000 172.2593 75 Q 4.7223 8.3726 118.3516 55.3779 33.5177 173.9721 76 A 4.7077 9.2177 129.4720 50.5211 20.3312 175.9157 77 V 4.3001 7.9983 115.7562 59.4094 34.0578 174.2987 78 P 4.4305 0.0000 0.0000 63.1562 31.1267 176.4642 79 A 4.1542 8.6922 126.1836 53.4299 17.9668 178.0864 80 N 4.7022 8.1769 111.1889 52.5029 39.0158 175.1644 81 G 4.0081 8.1176 104.7997 46.1962 0.0000 173.3294 82 T 4.6329 7.1696 110.5427 61.5515 70.7841 172.4786 83 Y 4.7293 8.5428 117.1548 57.4536 38.8929 175.7963 84 E 4.6616 8.3298 121.1291 55.5919 30.2247 176.5380 85 F 4.1683 8.2082 117.3720 58.6457 38.1404 175.5262 86 G 3.5702 9.1560 111.4216 45.0594 0.0000 172.9212 87 Y 4.8235 7.2514 116.1586 56.5902 41.3985 174.5171 88 Q 5.4415 8.7086 118.4363 54.6527 32.9532 174.3047 89 M 4.8006 8.7639 119.5497 54.0098 35.4752 173.5322 90 H 5.1238 8.8083 125.4060 54.3444 32.8377 172.8227 91 F 5.4114 8.5877 122.9681 55.7884 41.7163 174.7679 92 I 4.7659 8.8620 123.4694 59.8049 41.2787 173.5401 93 C 4.9977 8.8003 123.4879 55.2616 36.1552 173.3875 94 N 4.5993 8.6629 120.8497 53.0615 39.7516 174.2385 95 E 4.1171 8.7013 119.5285 58.1999 29.8603 177.9518 96 G 3.8176 9.1875 110.4055 45.6235 0.0000 172.4326 97 Y 5.2934 7.7834 115.3068 56.2335 41.9924 174.3036 98 Y 5.0054 8.8225 119.6256 55.1398 41.6326 174.2061 99 L 4.9330 8.6239 122.7075 54.0979 43.5814 175.5276 100 I 4.2394 8.3041 118.7398 60.2817 40.0162 172.3067 101 G 3.4884 9.0039 118.0296 45.8059 0.0000 167.2338 102 E 3.5694 8.2938 129.0439 55.9691 26.7221 173.9220 103 E 4.6058 8.3944 120.7900 56.4418 31.1277 175.7453 104 I 5.7208 7.3818 119.9571 59.4865 41.5072 174.1985 105 L 4.7922 8.5955 125.3602 53.1203 45.2174 175.0447 106 Y 5.0876 8.5097 120.8181 57.8082 39.9943 175.3214 107 C 4.6351 9.1593 124.8809 55.4545 44.5118 172.5678 108 E 4.7511 8.7058 125.4614 54.5882 32.2371 175.0309 109 L 4.5777 8.3054 122.5652 53.5180 42.0588 175.9465 110 K 4.3543 8.4406 127.6789 55.5084 33.5857 177.9655 111 G 3.9634 8.2417 117.0893 46.9440 0.0000 175.3502 112 S 4.4556 8.8905 121.3152 58.0902 63.9338 173.6930 113 V 4.2287 7.2345 119.7881 60.6700 33.4283 173.8503 114 A 4.9006 8.2075 128.0541 50.5867 20.5828 176.3354 115 I 4.6243 8.0947 115.4141 58.9330 41.9052 174.0943 116 W 5.1860 8.5918 122.5661 56.0178 29.5913 176.5767 117 S 4.3163 9.9019 121.1333 61.6046 62.3841 174.0431 118 G 4.3273 7.7980 105.8763 43.9521 0.0000 170.5790 119 K 4.5308 8.4507 120.5289 53.7420 33.6196 175.3904 120 P 3.6112 0.0000 0.0000 62.5951 31.6887 174.3172 121 P 4.4454 0.0000 0.0000 62.0238 33.0940 174.9961 122 I 4.4680 7.7901 119.8713 59.8657 40.6317 174.5388 123 C 5.2738 8.4765 121.1267 55.3182 43.5358 173.1508 124 E 4.7403 8.8299 127.7848 54.7078 31.8632 177.2051 125 K 3.9634 8.8266 123.8840 54.3673 32.1325 178.3724 126 V 3.8614 8.1268 123.5457 64.4922 32.3317 171.6194 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 C 8.41 4.46 0.00 2.23 2.48 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 2 E 8.11 4.47 0.00 2.07 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 2.21 1.96 0.00 3 E 9.56 4.36 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 4 P 0.00 3.84 0.00 1.83 1.21 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 5 P 0.00 4.31 0.00 2.14 1.85 0.00 3.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 6 T 7.92 4.60 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 1.22 0.00 0.00 7 F 8.32 4.66 0.00 2.93 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 8 E 8.78 4.27 0.00 1.95 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 2.21 2.11 0.00 9 A 7.87 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.78 5.15 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 11 E 9.17 5.01 0.00 2.02 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 0.00 2.32 2.24 0.00 12 L 8.42 4.67 0.00 1.63 1.56 0.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.95 3.87 1.76 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 1.12 0.63 0.86 0.00 0.00 14 G 8.90 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 0.00 0.00 0.00 15 K 8.14 4.17 0.00 1.79 1.61 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 16 P 0.00 4.45 0.00 2.04 2.01 0.00 3.63 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 2.02 2.06 0.00 17 K 8.34 4.63 0.00 1.76 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.01 7.81 18 P 0.00 4.68 0.00 2.05 2.16 0.00 3.66 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 *19 Y 7.71 5.36 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 Y 8.54 4.71 0.00 2.07 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 0.00 0.00 0.00 0.00 21 E 8.76 4.20 0.00 1.92 1.94 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 2.39 2.28 0.00 22 I 8.95 4.05 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.25 1.00 0.00 0.00 23 G 7.89 3.50 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 0.00 24 E 8.37 4.13 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 25 R 8.78 5.63 0.00 1.57 1.73 0.00 3.16 0.00 0.00 3.93 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 0.00 26 V 7.98 3.74 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 -0.05 0.00 0.00 0.62 0.00 0.00 27 D 8.38 5.09 0.00 2.52 2.50 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 28 Y 8.48 5.24 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.58 4.75 0.00 1.79 1.84 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.72 4.90 0.00 2.99 3.19 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 31 K 8.95 4.36 0.00 1.69 1.80 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.34 7.81 32 K 8.67 3.93 0.00 1.73 1.79 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 33 G 9.38 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 0.00 0.00 0.00 34 Y 7.88 5.62 0.00 3.00 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 35 F 9.32 5.23 0.00 3.24 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 36 Y 8.83 4.99 0.00 3.12 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 37 I 7.51 4.37 1.82 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 1.09 0.47 0.76 0.00 0.00 38 P 0.00 4.29 0.00 2.01 2.04 0.00 3.58 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 39 P 0.00 4.74 0.00 2.15 2.14 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 40 L 7.95 3.81 0.00 1.68 1.55 0.92 0.77 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 41 A 8.39 4.46 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 42 T 8.10 4.73 4.18 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 1.10 0.00 0.00 43 H 7.73 5.54 0.00 3.14 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.45 4.63 4.34 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 0.00 0.00 0.00 1.04 0.00 0.00 45 I 8.44 5.31 1.97 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 1.24 1.28 0.98 0.00 0.00 46 C 8.58 4.89 0.00 2.77 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 47 D 8.15 4.55 0.00 3.05 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 48 R 8.59 3.81 0.00 1.81 2.06 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 49 N 7.42 4.82 0.00 2.93 2.66 0.00 0.00 6.80 8.04 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 50 H 8.56 4.79 0.00 2.95 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.58 4.52 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 1.18 0.00 0.00 52 W 8.35 5.04 0.00 3.27 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 L 8.41 4.35 0.00 1.69 1.75 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.68 0.00 1.98 2.03 0.00 3.79 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 2.07 2.13 0.00 55 V 8.20 4.41 2.13 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 0.80 0.00 0.00 0.79 0.00 0.00 56 S 8.21 4.90 0.00 3.92 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 57 D 8.32 4.28 0.00 2.56 2.46 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 58 D 7.53 4.40 0.00 2.53 2.59 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 59 A 7.59 3.99 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 60 C 7.77 5.04 0.00 2.67 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.69 4.91 0.00 2.21 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 62 R 8.71 4.12 0.00 1.76 1.86 0.00 3.20 0.00 0.00 2.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.72 0.00 63 E 9.16 4.34 0.00 1.87 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 2.49 2.31 0.00 64 T 8.48 5.21 4.38 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 1.37 0.00 0.00 65 C 8.44 4.85 0.00 2.31 2.18 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 66 P 0.00 4.53 0.00 2.31 2.16 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 67 Y 8.84 4.57 0.00 2.78 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 68 I 7.64 4.18 1.60 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.93 0.80 0.00 0.00 69 R 7.93 3.86 0.00 1.73 1.86 0.00 3.31 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 70 D 8.50 4.46 0.00 2.64 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 71 P 0.00 4.21 0.00 2.12 2.04 0.00 3.72 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 2.29 2.17 0.00 72 L 8.23 4.00 0.00 1.50 1.47 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.98 4.12 0.00 2.25 1.42 0.00 0.00 6.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.69 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 75 Q 8.37 4.72 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 76 A 9.22 4.71 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 77 V 8.00 4.30 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 0.70 0.00 0.00 0.85 0.00 0.00 78 P 0.00 4.43 0.00 1.97 2.17 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 79 A 8.69 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.18 4.70 0.00 2.79 2.57 0.00 0.00 7.04 8.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.12 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 82 T 7.17 4.63 4.08 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 0.73 0.00 0.00 83 Y 8.54 4.73 0.00 3.11 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 84 E 8.33 4.66 0.00 2.33 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 2.43 2.35 0.00 85 F 8.21 4.17 0.00 3.02 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 86 G 9.16 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.25 4.82 0.00 2.94 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 88 Q 8.71 5.44 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.86 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 89 M 8.76 4.80 0.00 1.50 1.15 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.51 0.00 90 H 8.81 5.12 0.00 3.14 3.02 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.59 5.41 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 92 I 8.86 4.77 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.95 0.00 0.00 93 C 8.80 5.00 0.00 2.93 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.66 4.60 0.00 2.90 2.88 0.00 0.00 6.77 7.74 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 95 E 8.70 4.12 0.00 2.00 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 2.35 2.36 0.00 96 G 9.19 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 0.00 0.00 0.00 97 Y 7.78 5.29 0.00 2.95 2.79 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 98 Y 8.82 5.01 0.00 3.02 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 99 L 8.62 4.93 0.00 1.69 1.63 0.91 0.96 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 0.00 100 I 8.30 4.24 1.85 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 1.05 0.54 0.82 0.00 0.00 101 G 9.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.29 3.57 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 103 E 8.39 4.61 0.00 2.25 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 0.00 2.32 2.29 0.00 104 I 7.38 5.72 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.06 1.00 0.00 0.00 105 L 8.60 4.79 0.00 1.51 1.69 0.77 0.84 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 0.00 106 Y 8.51 5.09 0.00 3.00 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 0.00 107 C 9.16 4.64 0.00 1.36 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 0.00 108 E 8.71 4.75 0.00 2.02 1.86 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 2.30 2.33 0.00 109 L 8.31 4.58 0.00 1.00 1.29 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.44 4.35 0.00 1.80 1.70 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.49 7.81 111 G 8.24 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 0.00 112 S 8.89 4.46 0.00 3.83 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 0.00 113 V 7.23 4.23 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 0.90 0.00 0.00 0.88 0.00 0.00 114 A 8.21 4.90 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 0.00 115 I 8.09 4.62 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 1.17 0.66 0.88 0.00 0.00 116 W 8.59 5.19 0.00 3.23 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 0.00 117 S 9.90 4.32 0.00 3.88 4.29 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 0.00 118 G 7.80 4.33 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 0.00 119 K 8.45 4.53 0.00 1.68 1.63 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.37 7.81 120 P 0.00 3.61 0.00 1.85 1.71 0.00 3.61 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 121 P 0.00 4.45 0.00 1.60 2.01 0.00 2.20 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.74 0.00 122 I 7.79 4.47 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.22 0.78 0.00 0.00 123 C 8.48 5.27 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.83 4.74 0.00 1.49 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 2.22 2.31 0.00 125 K 8.83 3.96 0.00 1.82 1.69 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 126 V 8.13 3.86 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 0.82 0.00 0.00 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.