NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 N 4.7237 8.4249 118.1292 52.7420 40.0384 173.4836 15 L 4.1969 8.2484 118.6550 54.7591 42.4163 175.0445 16 Q 4.7079 9.8857 120.7371 55.0177 32.6685 174.9595 17 N 4.5123 8.7347 114.0834 54.4970 36.1555 175.0561 18 I 4.1234 7.6758 117.0306 61.4497 38.4714 176.6642 19 I 4.4334 8.5195 126.4717 59.6906 40.2721 173.9585 20 Y 4.9297 8.5990 124.2708 56.6337 39.9944 175.3834 21 N 4.3369 8.9577 121.2566 52.7916 37.9788 172.4181 22 P 4.4524 0.0000 0.0000 62.4612 32.7015 176.5103 23 V 3.8801 8.2319 119.9313 62.6111 32.2400 175.2621 24 I 4.5897 8.0657 127.6547 58.6927 38.8065 173.7060 25 P 4.6543 0.0000 0.0000 63.1923 32.0446 174.7518 26 Y 4.6868 8.7409 124.1638 55.7962 41.3841 174.4991 27 V 4.2472 7.5100 125.4081 61.1519 34.2991 174.3645 28 G 4.3571 8.4586 114.2885 43.6498 0.0000 171.3285 29 T 4.6263 8.4088 118.2641 63.2711 69.3932 174.3095 30 I 3.7825 8.3770 127.7405 60.1873 37.3757 174.0204 31 P 4.2618 0.0000 0.0000 65.1676 31.3063 176.0366 32 D 4.9937 7.2189 114.0682 51.7535 44.3272 175.7387 33 Q 4.1188 8.4093 119.6487 56.5052 29.6470 177.7224 34 L 4.4480 8.1153 122.2990 53.7305 40.5593 176.5503 35 D 4.5537 7.6000 121.0186 52.9885 42.1232 174.6507 36 P 4.5515 0.0000 0.0000 64.8158 31.5265 176.9472 37 G 4.0627 9.4884 112.7746 45.2139 0.0000 173.9708 38 T 4.3712 7.5708 116.5919 63.6907 69.3077 173.8899 39 L 5.1093 9.0669 125.0183 53.0239 45.3167 175.5039 40 I 4.6224 8.7627 123.4556 59.5038 40.2081 174.5430 41 V 4.6879 8.5874 128.1665 61.0754 33.8804 174.2848 42 I 4.8825 8.8633 128.9877 59.7590 40.2998 174.1733 43 C 5.0129 8.6225 125.0732 58.3525 30.8535 173.8104 44 G 3.0605 7.2769 108.5159 46.0213 0.0000 171.1437 45 H 5.1176 8.4013 118.7811 54.5012 34.1774 173.5837 46 V 4.5572 8.2667 124.6499 60.6753 32.9002 174.0855 47 P 4.7015 0.0000 0.0000 62.4046 32.0373 177.4024 48 S 4.0868 8.6042 115.5552 61.4896 62.7957 175.1489 49 D 4.6799 7.8954 116.9492 52.8221 39.4103 175.9802 50 A 4.1172 7.5672 123.2163 52.8883 18.9236 177.4996 51 D 5.1110 8.4356 121.9882 55.4553 44.0758 176.2366 52 R 5.1170 8.1587 111.8606 56.6873 31.9104 173.3453 53 F 5.4535 7.7177 113.6544 56.4043 41.3531 172.5749 54 Q 4.5191 9.5973 116.8846 54.8232 32.4653 173.6055 55 V 4.8034 8.7550 121.2361 61.4639 33.5566 173.8436 56 D 5.3899 9.6087 128.4470 52.5332 44.0911 175.2095 57 L 4.8935 9.0040 124.3009 53.7987 43.1471 175.8489 58 Q 5.0552 9.2265 123.4019 54.2870 32.5376 174.8681 59 N 5.2252 8.4860 120.9038 51.9337 38.2028 174.9435 60 G 3.9365 9.8239 112.3832 44.5558 0.0000 171.0677 61 S 4.6660 8.0833 109.8105 57.4767 63.7590 174.0883 62 S 4.1052 8.0169 116.2654 59.2524 62.5624 174.7849 63 V 3.7846 8.3424 126.0687 63.9161 32.1904 175.5759 64 K 4.3428 7.6142 120.1657 53.7546 33.6408 173.6669 65 P 4.4866 0.0000 0.0000 62.0629 32.0372 176.1696 66 R 4.0878 8.7333 120.9232 55.9359 30.3365 176.3667 67 A 4.1552 8.5323 127.9927 52.2625 19.1745 176.9884 68 D 4.4171 8.7317 120.2272 54.5303 42.6041 175.7846 69 V 4.5718 8.3237 121.9888 61.2052 32.8843 175.9414 70 A 4.2258 9.0192 131.3593 54.5504 19.1311 177.3753 71 F 4.8488 8.1919 117.9703 56.9587 42.7706 172.9325 72 H 5.0412 8.9130 127.1328 53.7623 31.6741 173.0439 73 F 4.1802 8.3755 130.1769 56.5321 40.7886 173.7881 74 N 4.7531 7.9922 126.5783 49.5482 40.0649 170.7108 75 P 4.0884 0.0000 0.0000 61.6369 32.8472 175.2816 76 R 4.5131 8.3944 122.9026 54.4553 32.9394 176.2345 77 F 4.7034 9.0622 120.5500 57.5108 40.9107 176.7811 78 K 4.0557 8.1244 118.9294 57.7721 33.4295 176.4947 79 R 3.7338 8.2065 120.7768 57.7839 28.2903 179.3493 80 A 4.0638 8.7914 129.7688 53.8671 18.5847 178.8633 81 G 4.0359 8.9809 100.4861 46.1009 0.0000 172.1233 82 C 4.6729 7.6389 113.2720 57.7474 33.8022 172.3116 83 I 4.4804 7.9556 118.8036 59.4669 40.4008 174.9034 84 V 4.4372 8.1442 127.6027 61.2559 33.5526 174.2145 85 C 5.5861 8.5434 124.6035 57.5577 32.0740 172.6834 86 N 5.3040 7.8995 118.7916 54.4714 42.5690 172.4498 87 T 5.4069 8.8366 114.9381 61.8408 73.1794 172.8707 88 L 4.7023 8.8548 128.0051 53.2098 44.4741 175.0122 89 I 4.8237 7.9780 126.5543 59.8252 40.7456 175.6068 90 N 4.1296 9.9926 126.1142 54.5920 36.5198 174.3649 91 E 3.6115 8.2456 110.7252 56.9516 27.4696 174.6682 92 K 4.4847 7.5819 117.7736 54.0912 35.1930 175.9802 93 W 4.6434 8.7225 123.9698 56.9578 29.7107 177.1692 94 G 4.2171 8.8229 112.7672 45.9646 0.0000 172.5856 95 R 4.3715 8.6427 122.6438 56.0602 30.7400 177.7805 96 E 4.4645 8.8877 125.9059 56.4635 30.7930 176.0680 97 E 4.6667 9.3060 122.5345 54.8559 32.3251 174.9230 98 I 4.6097 8.3186 125.3964 59.6965 39.6482 175.3072 99 T 4.4161 8.2643 122.7996 62.1505 70.4619 174.7022 100 Y 4.1834 8.6790 123.8519 59.1075 38.6217 175.7366 101 D 4.6131 7.8386 119.6684 52.8236 39.9078 173.5584 102 T 4.5213 7.9196 117.9291 59.2370 69.0411 172.6712 103 P 4.4866 0.0000 0.0000 63.5406 32.2235 176.3147 104 F 4.7108 7.5465 118.6127 57.5056 39.6880 174.8739 105 K 4.7528 8.7102 119.1259 55.8391 34.6960 175.0398 106 R 3.6401 8.6505 120.4145 58.2167 30.3822 176.2363 107 E 3.9506 9.1013 119.7503 56.9701 27.9239 174.2050 108 K 4.7904 7.5119 118.2029 54.3566 35.7044 176.2745 109 S 4.8549 8.6458 118.4635 58.4654 64.4478 172.9206 110 F 5.2923 8.4378 114.9072 55.7668 41.9285 172.9029 111 E 5.0932 9.4556 120.4749 54.8416 32.5024 174.1290 112 I 4.9067 9.3781 129.0482 59.7981 39.6525 175.0429 113 V 4.6758 8.9198 127.1464 61.4962 34.1514 174.8611 114 I 4.9662 8.4092 129.8648 58.8666 40.7297 174.5193 *116 V 4.0339 8.0577 121.3990 63.5032 32.3658 175.4133 117 L 4.7514 8.4036 128.5752 52.6396 43.6220 177.8391 118 K 4.0356 8.5664 120.7240 58.8555 32.4207 176.8826 119 D 4.7823 7.5965 115.9719 52.8127 40.7390 174.8806 120 K 4.2073 6.9693 118.5559 56.6022 36.5414 173.7038 121 F 5.0033 8.6903 119.0974 55.8617 41.3412 175.0923 122 Q 5.1187 8.6551 122.1989 54.3341 32.3294 173.8971 123 V 4.8349 9.1563 126.0139 61.0210 34.6188 173.8883 124 A 5.2256 8.9281 128.8723 50.0699 22.4632 174.8634 125 V 4.6525 8.4622 120.9139 61.5105 34.6137 175.5160 126 N 4.1842 10.1814 125.9403 54.5228 36.5275 175.5007 127 G 3.9374 8.5616 103.9562 45.3225 0.0000 173.7351 128 K 4.5408 7.6511 121.2599 53.9566 34.3169 174.8435 129 H 4.4498 8.9007 125.5847 57.2404 30.4111 173.8679 130 T 4.5449 8.4909 122.8369 64.5868 70.6554 174.0099 131 L 4.4735 7.2018 118.3355 55.2433 43.4225 173.1119 132 L 5.4104 8.6425 118.5594 53.3206 44.9307 176.1501 133 Y 4.5489 8.8692 123.0210 56.0166 41.7496 174.5430 134 G 3.6393 8.3381 114.6121 46.1062 0.0000 172.4652 135 H 4.6273 8.2741 120.6506 55.8979 29.2069 175.8260 136 R 4.6250 8.8357 120.8216 55.8482 32.5529 176.0267 137 I 4.5996 7.7340 117.3411 58.5857 40.4152 175.2998 138 G 3.8193 9.0372 112.6134 44.5480 0.0000 172.5127 139 P 4.2804 0.0000 0.0000 65.4057 31.6338 178.0618 140 E 4.1265 8.1018 116.4004 58.2673 29.4308 178.1574 141 K 4.3213 8.2589 119.0146 57.2638 32.5934 176.3616 142 I 4.6404 7.5169 121.6277 60.9138 37.6840 175.2998 143 D 4.9044 9.0670 121.7509 53.1673 42.0813 174.8554 144 T 5.1413 7.8975 115.6772 61.9430 73.2276 172.1487 145 L 5.1501 9.4128 127.7343 53.2913 44.6595 175.2132 146 G 4.3055 9.2990 113.4250 44.3612 0.0000 171.6093 147 I 5.0594 8.3833 124.1534 59.6300 40.8285 174.2481 148 Y 5.0883 9.2117 123.7323 56.7819 42.8039 175.4510 149 G 3.6931 9.0604 105.9464 44.4643 0.0000 173.4882 150 K 4.5516 8.1123 119.2339 55.3961 31.3369 176.6266 151 V 4.3156 7.8758 122.1502 60.2997 34.4649 173.1445 152 N 4.8336 8.8572 120.7242 51.8206 40.2849 173.6027 153 I 4.3062 8.1251 125.1845 60.4364 38.8193 176.2998 154 H 4.7120 9.0973 124.8677 57.9210 30.3997 175.4401 155 S 5.0258 7.5142 110.0215 57.2839 66.3263 173.6453 156 I 4.8542 8.4851 122.0339 59.6228 40.7364 174.8006 157 G 4.3952 8.7283 112.7492 44.7141 0.0000 171.2238 158 F 5.4877 9.0879 118.2808 55.5374 43.5869 174.3457 159 S 4.9232 9.0759 115.6489 56.5961 65.5525 174.1278 160 G 4.1391 8.9236 116.7167 44.3866 0.0000 172.5814 161 P 4.2941 0.0000 0.0000 65.1236 31.4238 177.4235 162 S 4.6185 7.8645 112.4111 57.8985 63.1870 174.1885 163 S 4.1384 7.7117 117.2336 58.5488 63.0865 174.8523 164 G 3.7818 8.5326 112.3373 46.6208 0.0000 172.4921 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 14 N 8.42 4.72 0.00 2.76 2.89 0.00 0.00 6.98 6.97 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 15 L 8.25 4.20 0.00 1.70 1.59 0.86 0.51 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 16 Q 9.89 4.71 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.31 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 17 N 8.73 4.51 0.00 3.02 2.91 0.00 0.00 6.99 7.45 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 18 I 7.68 4.12 1.62 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 1.22 0.42 -0.08 0.00 0.00 19 I 8.52 4.43 1.64 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.73 0.00 0.00 20 Y 8.60 4.93 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.96 4.34 0.00 2.74 2.82 0.00 0.00 7.18 7.30 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 22 P 0.00 4.45 0.00 2.04 1.68 0.00 3.95 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 23 V 8.23 3.88 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 0.86 0.00 0.00 0.97 0.00 0.00 24 I 8.07 4.59 1.90 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 1.47 1.18 1.06 0.00 0.00 25 P 0.00 4.65 0.00 2.28 2.36 0.00 3.79 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 2.08 2.10 0.00 26 Y 8.74 4.69 0.00 3.20 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 27 V 7.51 4.25 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 0.80 0.00 0.00 0.92 0.00 0.00 28 G 8.46 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.41 4.63 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 1.18 0.00 0.00 30 I 8.38 3.78 1.81 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.55 0.00 0.00 31 P 0.00 4.26 0.00 1.77 2.10 0.00 2.59 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.00 0.00 32 D 7.22 4.99 0.00 2.54 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 33 Q 8.41 4.12 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.55 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 34 L 8.12 4.45 0.00 1.73 1.77 1.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.60 4.55 0.00 2.72 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 36 P 0.00 4.55 0.00 2.03 2.01 0.00 3.63 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 2.02 2.08 0.00 37 G 9.49 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 38 T 7.57 4.37 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 39 L 9.07 5.11 0.00 1.58 1.54 0.94 1.03 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 40 I 8.76 4.62 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 0.63 0.00 0.00 41 V 8.59 4.69 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 1.01 0.00 0.00 0.89 0.00 0.00 42 I 8.86 4.88 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 1.11 0.51 0.98 0.00 0.00 43 C 8.62 5.01 0.00 2.80 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 44 G 7.28 3.06 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 45 H 8.40 5.12 0.00 3.05 3.00 0.00 5.77 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 46 V 8.27 4.56 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 0.26 0.00 0.00 1.31 0.00 0.00 47 P 0.00 4.70 0.00 2.39 2.14 0.00 3.75 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 2.00 1.95 0.00 48 S 8.60 4.09 0.00 3.86 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 49 D 7.90 4.68 0.00 2.77 2.74 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 50 A 7.57 4.12 0.98 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 0.00 0.00 51 D 8.44 5.11 0.00 2.64 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 52 R 8.16 5.12 0.00 1.77 1.91 0.00 3.08 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 53 F 7.72 5.45 0.00 3.25 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 54 Q 9.60 4.52 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 55 V 8.76 4.80 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 1.01 0.00 0.00 1.10 0.00 0.00 56 D 9.61 5.39 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.00 4.89 0.00 1.68 1.73 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 9.23 5.06 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 59 N 8.49 5.23 0.00 2.75 2.75 0.00 0.00 7.37 7.88 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 60 G 9.82 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 61 S 8.08 4.67 0.00 3.94 3.90 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 62 S 8.02 4.11 0.00 3.86 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 63 V 8.34 3.78 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 0.98 0.00 0.00 64 K 7.61 4.34 0.00 1.67 1.63 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.39 7.81 65 P 0.00 4.49 0.00 2.17 2.00 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 66 R 8.73 4.09 0.00 1.70 1.76 0.00 3.17 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 67 A 8.53 4.16 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 68 D 8.73 4.42 0.00 2.61 2.68 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 69 V 8.32 4.57 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 1.23 0.00 0.00 0.90 0.00 0.00 70 A 9.02 4.23 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.85 0.00 2.66 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 72 H 8.91 5.04 0.00 3.47 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.38 4.18 0.00 2.11 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.75 0.00 2.04 2.28 0.00 0.00 7.07 7.25 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 75 P 0.00 4.09 0.00 0.59 0.75 0.00 2.20 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.76 0.00 76 R 8.39 4.51 0.00 1.38 1.58 0.00 2.87 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 77 F 9.06 4.70 0.00 3.02 3.12 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 78 K 8.12 4.06 0.00 1.81 1.75 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.51 7.81 79 R 8.21 3.73 0.00 1.97 1.33 0.00 3.21 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 80 A 8.79 4.06 1.30 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 0.00 0.00 0.00 81 G 8.98 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 82 C 7.64 4.67 0.00 2.81 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.96 4.48 1.58 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.05 0.00 0.00 84 V 8.14 4.44 1.74 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 0.85 0.00 0.00 0.67 0.00 0.00 85 C 8.54 5.59 0.00 3.02 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 86 N 7.90 5.30 0.00 2.65 2.67 0.00 0.00 7.43 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 87 T 8.84 5.41 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 88 L 8.85 4.70 0.00 0.27 1.00 -0.15 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.98 4.82 1.85 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 1.24 1.11 0.90 0.00 0.00 90 N 9.99 4.13 0.00 2.77 2.83 0.00 0.00 7.11 7.27 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 91 E 8.25 3.61 0.00 2.03 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 2.09 2.22 0.00 92 K 7.58 4.48 0.00 1.76 1.65 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.49 7.81 93 W 8.72 4.64 0.00 3.18 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 94 G 8.82 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 95 R 8.64 4.37 0.00 1.88 1.90 0.00 3.26 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 96 E 8.89 4.46 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 2.19 2.29 0.00 97 E 9.31 4.67 0.00 2.12 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 2.26 2.39 0.00 98 I 8.32 4.61 1.45 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.22 0.00 0.00 99 T 8.26 4.42 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 1.23 0.00 0.00 100 Y 8.68 4.18 0.00 2.99 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 0.00 101 D 7.84 4.61 0.00 2.67 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 0.00 102 T 7.92 4.52 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 1.18 0.00 0.00 103 P 0.00 4.49 0.00 1.97 2.01 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.69 0.00 104 F 7.55 4.71 0.00 3.02 3.42 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 0.00 105 K 8.71 4.75 0.00 1.99 2.00 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.50 7.81 106 R 8.65 3.64 0.00 1.78 1.85 0.00 3.33 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 107 E 9.10 3.95 0.00 2.10 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 0.00 2.24 2.25 0.00 108 K 7.51 4.79 0.00 1.81 1.70 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.54 7.81 109 S 8.65 4.85 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.44 5.29 0.00 3.21 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 0.00 111 E 9.46 5.09 0.00 2.07 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 2.23 2.28 0.00 112 I 9.38 4.91 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.72 0.00 0.00 113 V 8.92 4.68 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 0.99 0.00 0.00 0.94 0.00 0.00 114 I 8.41 4.97 1.89 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 0.95 0.88 1.03 0.00 0.00 *116 V 8.06 4.03 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 0.99 0.00 0.00 1.24 0.00 0.00 117 L 8.40 4.75 0.00 1.81 1.52 0.90 0.92 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 0.00 118 K 8.57 4.04 0.00 1.67 1.81 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 119 D 7.60 4.78 0.00 2.77 2.82 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 0.00 120 K 6.97 4.21 0.00 1.72 1.75 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.26 7.81 121 F 8.69 5.00 0.00 2.48 2.64 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 0.00 0.00 0.00 0.00 122 Q 8.66 5.12 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 123 V 9.16 4.83 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 0.61 0.00 0.00 1.00 0.00 0.00 124 A 8.93 5.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 4.65 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 0.55 0.00 0.00 0.93 0.00 0.00 126 N 10.18 4.18 0.00 2.82 2.87 0.00 0.00 7.11 7.58 0.00 0.00 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 G 8.56 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 0.00 128 K 7.65 4.54 0.00 1.78 1.76 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.34 7.81 129 H 8.90 4.45 0.00 3.13 3.25 0.00 5.93 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 0.00 130 T 8.49 4.54 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 131 L 7.20 4.47 0.00 1.82 1.78 1.27 0.42 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 0.00 132 L 8.64 5.41 0.00 1.57 1.62 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.87 4.55 0.00 3.16 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 0.00 134 G 8.34 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.27 4.63 0.00 3.15 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.84 4.62 0.00 1.94 2.03 0.00 3.37 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 137 I 7.73 4.60 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.97 0.00 0.00 138 G 9.04 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 0.00 139 P 0.00 4.28 0.00 2.14 1.97 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 140 E 8.10 4.13 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 141 K 8.26 4.32 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 142 I 7.52 4.64 2.10 0.00 0.00 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 1.50 0.62 1.08 0.00 0.00 143 D 9.07 4.90 0.00 2.74 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 0.00 144 T 7.90 5.14 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 145 L 9.41 5.15 0.00 1.92 1.76 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 146 G 9.30 4.31 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 0.00 0.00 0.00 147 I 8.38 5.06 1.89 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 1.27 0.86 0.94 0.00 0.00 148 Y 9.21 5.09 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 9.06 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.11 4.55 0.00 1.72 1.81 0.00 1.81 0.00 0.00 2.12 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.43 7.81 151 V 7.88 4.32 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 0.49 0.00 0.00 0.30 0.00 0.00 152 N 8.86 4.83 0.00 2.70 2.72 0.00 0.00 6.95 6.85 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 0.00 153 I 8.13 4.31 1.75 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 1.25 1.32 0.82 0.00 0.00 154 H 9.10 4.71 0.00 3.08 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.51 5.03 0.00 3.65 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 0.00 156 I 8.49 4.85 1.62 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.46 0.63 0.00 0.00 157 G 8.73 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 9.09 5.49 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 S 9.08 4.92 0.00 3.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.92 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 0.00 0.00 0.00 0.00 161 P 0.00 4.29 0.00 2.20 2.37 0.00 3.78 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 2.00 2.00 0.00 162 S 7.86 4.62 0.00 3.88 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 0.00 163 S 7.71 4.14 0.00 3.93 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 0.00 164 G 8.53 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.