NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.8038 8.3649 119.5528 52.3089 42.0964 175.0830 11 K 4.0270 7.8809 119.7577 55.8488 32.7119 174.3980 12 P 4.7103 0.0000 0.0000 63.3666 33.3192 175.3388 13 V 5.0839 8.6644 121.9556 60.4600 35.5313 173.8189 14 A 4.9666 9.1449 123.0449 51.3473 23.1031 175.4679 15 H 4.4601 9.3173 121.6994 55.6834 31.8573 172.8785 16 V 4.5209 8.6817 119.9743 59.7576 34.1856 175.6778 17 V 5.3663 8.3991 115.6966 59.4621 35.2867 174.8598 18 A 4.4608 8.8331 125.2861 51.8164 19.3470 177.1619 19 N 4.4884 9.4275 121.8294 52.3134 39.1211 174.2616 20 P 2.0000 0.0000 0.0000 64.1564 31.5553 177.0528 21 Q 4.2712 8.0704 116.9558 55.4008 28.8393 175.3176 22 A 4.2146 7.2415 121.1999 51.2910 19.5469 177.3193 23 E 4.3294 8.5974 121.6076 55.1899 30.1466 175.8085 24 G 4.0754 8.7840 115.8195 46.1512 0.0000 172.4428 25 Q 4.3858 7.7342 115.3895 53.7525 32.8150 174.7619 26 L 4.0487 8.2708 123.5624 54.0688 41.8478 175.3356 27 Q 4.5732 7.9310 127.6347 53.8714 31.8117 173.9892 28 W 5.2288 9.4441 127.1869 56.0133 30.2133 176.0658 29 L 4.5695 9.2571 125.8387 53.9457 42.2766 176.3776 30 N 4.4490 8.6969 121.5719 52.6031 38.3287 174.1768 *36 L 4.0017 8.4315 125.1758 54.9073 43.7279 175.6526 37 L 4.8891 8.3791 126.8854 54.0788 43.3600 173.4590 38 A 4.7385 8.8695 125.2028 49.5472 23.3245 175.1042 39 N 4.3012 9.9843 113.5136 54.7409 36.1073 175.7958 40 G 4.0397 8.4843 105.9584 45.0130 0.0000 174.8617 41 V 3.9360 7.5516 120.0170 63.0651 32.1735 174.9854 42 E 4.7659 8.7022 126.6781 54.4472 33.1595 174.8161 43 L 5.0936 8.4425 124.2288 53.6801 43.4890 175.8836 44 R 4.6182 8.5797 125.4483 55.6499 33.7772 175.4307 45 D 4.1828 9.4901 120.8202 55.6517 38.2902 173.5634 46 N 4.4948 8.7069 112.4815 54.4141 37.7103 172.9260 47 Q 5.0456 7.9304 114.2162 53.6087 33.2246 174.4469 48 L 4.6224 8.9553 122.9806 54.2843 43.2635 175.8425 49 V 4.6743 8.7721 123.8908 61.1881 34.0307 174.7032 50 V 4.1662 8.5736 122.2903 59.8958 32.2691 175.5546 51 P 4.4578 0.0000 0.0000 64.4776 31.9885 176.2434 52 S 4.6714 7.5292 111.5790 56.5037 65.8670 173.7863 53 E 4.2519 8.9187 123.2689 55.9639 30.1266 177.1439 54 G 3.9932 7.8381 111.6095 45.1744 0.0000 170.3842 55 L 5.0918 7.6563 119.3382 53.8252 43.4395 175.7711 56 Y 5.1166 9.6230 121.7287 55.9959 41.7634 174.8697 57 L 4.8988 8.9108 124.2468 54.7281 43.1902 175.9719 58 I 5.2076 9.3540 124.9212 59.7919 40.6212 174.2283 59 Y 5.6910 8.7211 123.4229 56.2861 41.9563 173.7317 60 S 5.2922 9.1622 113.7340 57.7671 67.1106 172.9343 61 Q 5.0819 8.8243 121.6468 54.6119 32.4959 173.9735 62 V 4.4631 8.3614 118.5469 59.3672 35.3755 174.3626 63 L 4.9794 7.9198 123.6286 52.9557 44.3224 175.2731 64 F 5.4769 9.3121 122.1881 55.5988 42.2792 174.4980 65 K 4.2633 9.1585 121.2287 55.2491 35.8395 175.4875 66 G 3.3178 6.4529 106.9805 44.7761 0.0000 171.7713 67 Q 4.5268 8.5179 119.8436 54.5069 30.0164 177.2399 68 G 3.9869 8.7166 114.9965 45.1507 0.0000 171.5663 69 C 5.0783 8.5603 115.2574 54.4036 43.0212 172.9239 70 P 4.5891 0.0000 0.0000 62.7247 32.2756 175.6980 71 S 4.5272 8.6104 109.2340 59.8840 64.7192 174.6571 72 T 4.0664 7.6959 115.3430 61.2907 67.7081 173.0271 73 H 4.2759 8.6955 129.0298 55.6625 30.3254 174.4081 74 V 3.8176 7.9454 127.2767 61.9760 31.5903 174.5359 75 L 4.6261 8.1723 127.3901 52.9546 43.6444 175.8566 76 L 4.5764 8.6182 124.2813 53.0293 43.8133 175.5374 77 T 5.0903 8.9251 114.5365 60.1854 72.0803 172.7919 78 H 5.5222 9.0699 122.9522 55.1116 33.7840 172.0830 79 T 5.0846 9.1268 114.8546 60.2713 72.5941 172.4518 80 I 4.7113 8.8339 125.4837 59.9162 39.4510 174.8972 81 S 5.1083 9.1323 122.5695 56.6069 67.0034 172.8620 82 R 4.7991 8.7720 123.4735 54.7241 32.2552 174.6471 83 I 4.2726 8.7436 128.1728 59.5161 38.9380 174.4903 84 A 5.0164 8.5598 132.7830 49.5937 17.7061 178.0694 85 V 3.7275 7.7295 124.4949 64.0462 29.6787 175.3092 *89 T 4.2072 7.3546 116.8971 61.7539 69.3953 172.7576 90 K 5.2989 8.4498 126.7236 54.7669 35.3730 175.5030 91 V 4.5704 8.4249 124.8182 60.0922 35.2469 173.3035 92 N 4.6406 8.7324 120.7475 54.1396 38.3279 174.7852 93 L 4.1959 8.8084 125.0368 56.9092 42.7131 177.6361 94 L 4.8627 7.5366 117.4043 53.3254 46.1175 175.1438 95 S 5.1522 8.6321 116.4684 57.1884 65.7081 172.7224 96 A 4.8472 9.0494 126.4127 50.7160 22.9345 175.0283 97 I 5.1249 8.2541 119.2938 59.5153 41.0284 175.1519 98 K 4.6496 9.0774 124.5720 54.6480 36.3566 175.6374 99 S 4.6586 8.2514 117.4605 55.5809 63.6364 172.6400 100 P 3.7816 0.0000 0.0000 64.6293 31.3788 177.6367 101 C 4.6925 6.7420 116.3446 54.0980 42.7781 171.5657 *113 P 4.2677 0.0000 0.0000 62.1785 32.2158 175.6042 114 W 5.0612 7.8102 118.5946 54.9051 31.3342 174.1303 115 Y 5.2817 8.8506 118.0203 56.5387 41.1664 174.6288 116 E 4.9228 9.8269 123.6196 54.1468 33.5616 173.2079 117 P 5.0687 0.0000 0.0000 61.9041 33.7149 175.2310 118 I 4.3457 8.1754 121.3334 59.8163 40.5939 174.1380 119 Y 5.4560 8.3372 123.7978 56.4901 40.9338 175.0813 120 L 4.9477 8.8204 120.5913 53.5618 46.5945 175.6121 121 G 4.9358 8.3865 105.6283 46.0110 0.0000 172.6357 122 G 4.2162 8.2016 108.5215 45.8995 0.0000 171.7238 123 V 4.9819 8.0558 119.3328 60.1365 33.1126 175.6358 124 F 4.9015 9.3673 122.0649 55.7280 43.7358 173.4612 125 Q 4.8066 8.9429 123.6050 55.6110 29.6037 174.7724 126 L 4.9787 9.5008 126.5274 53.1012 45.6571 175.6848 127 E 4.8984 8.9707 120.1890 54.0218 31.7063 175.9109 128 K 4.0783 8.4735 122.4568 58.1566 32.5163 177.1806 129 G 3.9266 9.4159 114.0421 45.7182 0.0000 173.3497 130 D 4.6926 7.9002 119.8650 54.3678 42.1434 175.5743 131 R 5.0844 8.6987 119.8478 54.4048 33.8587 174.7561 132 L 5.3329 9.1583 122.4558 52.9811 45.0728 175.5375 133 S 5.1727 9.0014 118.4473 56.3885 65.8831 172.8625 134 A 4.9138 8.2823 123.8663 50.2212 20.6717 175.1649 135 E 4.9821 9.3780 121.7626 54.7249 34.3774 174.6828 136 I 5.6380 8.5129 113.8795 58.4541 40.7556 174.3452 137 N 4.6840 8.9684 118.0189 53.3966 38.9314 175.7293 138 R 4.6956 7.7702 118.2097 52.9640 30.8745 173.5363 139 P 4.3657 0.0000 0.0000 65.4238 31.8436 179.4450 140 D 4.3331 8.0563 117.4832 56.0452 39.5117 176.6857 141 Y 4.4937 8.0224 116.3031 58.4671 38.4734 175.4269 142 L 3.9062 7.3760 120.0676 55.1347 42.0796 176.4875 143 D 4.5674 8.0493 122.0092 52.9388 41.5529 175.2309 144 F 4.8778 8.3424 124.7739 57.2406 39.5463 177.4577 145 A 4.1579 8.2150 125.7747 55.0167 18.2537 178.8549 146 E 4.5584 7.9612 114.5436 54.7713 30.7514 176.2702 147 S 4.3242 8.7049 119.1327 59.2288 63.8967 174.1442 148 G 4.0936 8.9613 110.9295 46.8801 0.0000 173.9664 149 Q 4.5750 8.3083 116.1408 55.5551 29.5445 175.4700 150 V 4.4884 7.7478 119.5618 61.3995 33.7011 173.6826 151 Y 5.5624 8.4440 125.8192 56.3561 42.5207 173.5923 152 F 5.0968 8.7295 119.4667 57.3923 43.2172 173.0809 153 G 3.9273 8.2921 112.6888 44.7916 0.0000 171.1818 154 I 5.4354 8.1699 112.2527 58.9425 41.5978 174.4148 155 I 4.9833 8.9032 116.8561 59.0910 40.5045 174.3186 156 A 3.8624 8.9506 132.1516 51.8690 19.0897 178.0164 *157 L 3.9948 8.4863 121.3711 54.4770 41.7252 175.0898 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 10 D 8.36 4.80 0.00 2.71 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 11 K 7.88 4.03 0.00 1.79 1.72 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.48 7.81 12 P 0.00 4.71 0.00 2.30 2.13 0.00 3.50 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 13 V 8.66 5.08 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 1.02 0.00 0.00 14 A 9.14 4.97 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 15 H 9.32 4.46 0.00 3.09 3.21 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.68 4.52 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 0.75 0.00 0.00 0.54 0.00 0.00 17 V 8.40 5.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.08 0.00 0.00 18 A 8.83 4.46 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 19 N 9.43 4.49 0.00 2.77 2.65 0.00 0.00 6.85 7.54 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 20 P 0.00 2.00 0.00 1.70 1.32 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 21 Q 8.07 4.27 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 22 A 7.24 4.21 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 23 E 8.60 4.33 0.00 1.89 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 2.18 2.25 0.00 24 G 8.78 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 0.00 0.00 0.00 0.00 25 Q 7.73 4.39 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 26 L 8.27 4.05 0.00 1.40 1.42 0.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.93 4.57 0.00 2.02 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 28 W 9.44 5.23 0.00 3.27 3.18 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 29 L 9.26 4.57 0.00 1.67 1.66 1.00 1.02 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 30 N 8.70 4.45 0.00 2.74 2.88 0.00 0.00 6.05 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 *36 L 8.43 4.00 0.00 1.84 1.66 0.92 0.47 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 37 L 8.38 4.89 0.00 1.63 1.51 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.87 4.74 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.98 4.30 0.00 2.88 3.05 0.00 0.00 7.22 7.65 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 40 G 8.48 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 41 V 7.55 3.94 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 0.76 0.00 0.00 1.01 0.00 0.00 42 E 8.70 4.77 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 43 L 8.44 5.09 0.00 1.62 1.60 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.58 4.62 0.00 1.86 1.76 0.00 3.34 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 45 D 9.49 4.18 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 46 N 8.71 4.49 0.00 2.90 3.00 0.00 0.00 7.00 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 47 Q 7.93 5.05 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 48 L 8.96 4.62 0.00 1.33 1.33 -0.21 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.77 4.67 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 0.94 0.00 0.00 0.92 0.00 0.00 50 V 8.57 4.17 1.46 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 0.39 0.00 0.00 0.82 0.00 0.00 51 P 0.00 4.46 0.00 2.21 2.34 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 52 S 7.53 4.67 0.00 4.15 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 53 E 8.92 4.25 0.00 2.00 1.95 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 2.50 2.31 0.00 54 G 7.84 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.66 5.09 0.00 1.55 1.60 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.62 5.12 0.00 2.93 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 57 L 8.91 4.90 0.00 1.90 1.78 0.94 0.64 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 58 I 9.35 5.21 2.14 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 1.35 0.99 1.04 0.00 0.00 59 Y 8.72 5.69 0.00 3.25 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 60 S 9.16 5.29 0.00 4.11 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 61 Q 8.82 5.08 0.00 2.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.12 2.47 0.00 62 V 8.36 4.46 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 0.37 0.00 0.00 0.65 0.00 0.00 63 L 7.92 4.98 0.00 1.37 1.47 0.93 1.06 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 64 F 9.31 5.48 0.00 3.08 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 65 K 9.16 4.26 0.00 1.10 1.62 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.82 1.15 7.81 66 G 6.45 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.52 4.53 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.07 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 68 G 8.72 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.56 5.08 0.00 2.95 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 70 P 0.00 4.59 0.00 2.23 2.11 0.00 3.74 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 2.23 2.07 0.00 71 S 8.61 4.53 0.00 3.98 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 72 T 7.70 4.07 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 1.25 0.00 0.00 73 H 8.70 4.28 0.00 3.09 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.95 3.82 1.62 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 0.48 0.00 0.00 0.89 0.00 0.00 75 L 8.17 4.63 0.00 1.45 1.44 0.87 0.86 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 76 L 8.62 4.58 0.00 1.03 0.39 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.93 5.09 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 1.16 0.00 0.00 78 H 9.07 5.52 0.00 3.38 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.13 5.08 4.21 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 0.00 0.00 0.00 1.21 0.00 0.00 80 I 8.83 4.71 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.55 0.84 0.00 0.00 81 S 9.13 5.11 0.00 3.64 3.67 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 82 R 8.77 4.80 0.00 1.70 1.68 0.00 3.01 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 83 I 8.74 4.27 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 1.15 1.25 0.96 0.00 0.00 84 A 8.56 5.02 1.25 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 0.00 0.00 0.00 85 V 7.73 3.73 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 0.79 0.00 0.00 1.00 0.00 0.00 *89 T 7.35 4.21 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 90 K 8.45 5.30 0.00 1.74 1.60 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.39 7.81 91 V 8.42 4.57 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 0.73 0.00 0.00 0.93 0.00 0.00 92 N 8.73 4.64 0.00 2.62 2.80 0.00 0.00 6.98 7.85 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 93 L 8.81 4.20 0.00 1.25 0.74 0.24 0.71 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 94 L 7.54 4.86 0.00 1.55 1.56 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.63 5.15 0.00 3.82 3.67 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 96 A 9.05 4.85 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 97 I 8.25 5.12 1.83 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 1.31 0.69 0.88 0.00 0.00 98 K 9.08 4.65 0.00 1.48 1.47 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.30 7.81 99 S 8.25 4.66 0.00 3.69 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 0.00 100 P 0.00 3.78 0.00 0.49 0.84 0.00 3.40 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.44 0.00 101 C 6.74 4.69 0.00 2.55 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 *113 P 0.00 4.27 0.00 2.05 2.00 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 114 W 7.81 5.06 0.00 3.40 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.85 5.28 0.00 2.84 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 0.00 116 E 9.83 4.92 0.00 2.06 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 2.47 2.26 0.00 117 P 0.00 5.07 0.00 1.34 2.02 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.10 0.00 118 I 8.18 4.35 2.01 0.00 0.00 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 1.24 1.46 0.98 0.00 0.00 119 Y 8.34 5.46 0.00 2.93 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 0.00 120 L 8.82 4.95 0.00 1.64 1.57 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.39 4.94 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 0.00 122 G 8.20 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 0.00 0.00 0.00 123 V 8.06 4.98 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 0.63 0.00 0.00 0.94 0.00 0.00 124 F 9.37 4.90 0.00 3.06 2.99 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 0.00 125 Q 8.94 4.81 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 126 L 9.50 4.98 0.00 1.54 1.40 0.51 0.73 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 0.00 127 E 8.97 4.90 0.00 2.22 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 2.26 2.28 0.00 128 K 8.47 4.08 0.00 1.74 1.75 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.56 7.81 129 G 9.42 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 D 7.90 4.69 0.00 2.64 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 0.00 0.00 0.00 131 R 8.70 5.08 0.00 1.73 1.90 0.00 3.06 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 132 L 9.16 5.33 0.00 1.57 1.75 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 133 S 9.00 5.17 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.28 4.91 0.17 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 0.00 135 E 9.38 4.98 0.00 1.89 1.82 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 2.25 2.26 0.00 136 I 8.51 5.64 2.16 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 1.04 1.77 1.01 0.00 0.00 137 N 8.97 4.68 0.00 2.74 2.98 0.00 0.00 5.77 7.66 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 0.00 138 R 7.77 4.70 0.00 1.94 2.13 0.00 3.35 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 139 P 0.00 4.37 0.00 2.22 2.32 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 140 D 8.06 4.33 0.00 2.58 2.73 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 0.00 141 Y 8.02 4.49 0.00 3.51 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 L 7.38 3.91 0.00 1.57 0.71 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.05 4.57 0.00 2.52 2.49 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 0.00 144 F 8.34 4.88 0.00 3.06 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 0.00 145 A 8.21 4.16 1.42 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 0.00 146 E 7.96 4.56 0.00 2.03 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 2.30 2.32 0.00 147 S 8.70 4.32 0.00 4.05 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 0.00 148 G 8.96 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 0.00 0.00 0.00 149 Q 8.31 4.57 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 150 V 7.75 4.49 2.20 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 1.01 0.00 0.00 0.72 0.00 0.00 151 Y 8.44 5.56 0.00 3.00 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 0.00 152 F 8.73 5.10 0.00 1.81 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.29 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 0.00 154 I 8.17 5.44 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.35 0.65 0.00 0.00 155 I 8.90 4.98 1.93 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 1.21 0.93 1.08 0.00 0.00 156 A 8.95 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 L 8.49 3.99 0.00 1.29 1.44 0.90 0.78 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 * Residues marked with a * may have inaccurate shift predictions.