NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4368 8.3044 118.1947 55.1450 32.5527 174.2826 1 V 4.2039 7.8877 118.2675 60.7025 34.1773 173.4227 2 L 4.3078 8.2944 127.6254 53.9389 43.5747 176.8907 3 S 4.5330 8.4399 117.5028 57.7477 65.3634 175.1933 4 E 4.3404 8.7597 122.0560 59.3504 29.4424 178.8158 5 G 3.6320 8.1192 105.4365 47.6751 0.0000 175.3932 6 E 3.9720 7.9521 121.0051 58.9011 29.4377 179.2940 7 W 4.2802 8.1025 119.1199 59.7311 29.1174 178.4418 8 Q 4.1128 8.4842 118.1652 59.2355 28.1153 178.9825 9 L 4.0775 7.8923 119.6526 57.9227 41.6381 179.9420 10 V 3.7606 7.8203 117.9797 65.9981 31.5868 177.8889 11 L 4.3782 8.6535 118.3773 57.0855 41.3170 178.6571 12 H 4.3583 8.5226 119.2163 58.8769 29.8085 177.4305 13 V 3.8554 7.8579 121.2725 64.2230 31.5340 178.1858 14 W 4.0258 8.5523 128.8149 60.1896 30.2382 177.7846 15 A 4.0060 7.9787 120.0278 54.8090 18.1219 179.4917 16 K 3.9498 7.2981 117.6044 59.3600 32.1339 179.5413 17 V 2.8389 7.2083 118.5123 65.8787 31.0504 177.9357 18 E 3.8085 7.5637 116.2860 58.7418 29.2427 178.8144 19 A 4.2298 7.4066 120.1023 53.8544 19.8293 177.3447 20 D 4.5980 7.9759 116.6833 51.7468 42.1179 175.6021 21 V 3.4111 8.0407 122.9507 65.3723 32.0412 176.6948 22 A 4.0561 8.0446 120.1871 55.0760 18.2197 179.6077 23 G 3.9398 8.2145 105.3427 47.8907 0.0000 175.6177 24 H 4.1476 8.2265 119.5202 58.3355 28.6902 178.1927 25 G 3.6126 8.4154 107.8857 47.6305 0.0000 175.6275 26 Q 3.8251 8.1408 121.7247 59.0819 29.1145 177.7797 27 D 4.3014 7.9475 119.8624 57.5009 40.8260 178.9985 28 I 3.6326 7.7035 119.9314 64.5321 37.0887 178.6447 29 L 3.4673 7.7141 119.6461 57.3914 41.2844 179.7781 30 I 3.7087 7.6952 120.0127 64.2467 36.9846 178.2449 31 R 3.8130 7.9650 119.6516 59.2412 29.8585 178.2064 32 L 3.8886 7.8171 120.0148 58.3531 41.9075 179.0238 33 F 4.6566 7.8345 117.7907 60.5194 38.5613 177.9928 34 K 4.0310 8.4029 117.6468 59.5622 32.0103 179.3163 35 S 4.3422 8.0789 114.2323 60.4865 63.7766 174.7490 36 H 4.6125 8.4489 121.3497 52.4686 29.2295 172.3060 37 P 4.6866 0.0000 0.0000 64.0276 31.4929 177.6758 38 E 4.1511 8.1976 116.7564 59.2839 29.5843 178.9257 39 T 3.9507 8.3689 111.2186 64.2266 68.8725 176.3284 40 L 3.9063 8.0420 123.5171 57.7712 41.7975 178.3581 41 E 4.1918 7.9005 116.9858 58.4748 29.4221 178.6503 42 K 4.3989 8.1577 117.9133 57.1398 32.4807 176.7417 43 F 4.4794 8.2253 119.0509 56.0504 38.8051 176.3915 44 D 4.3605 8.5168 126.8984 56.9372 41.1013 178.2514 45 R 3.8342 7.7752 118.5944 58.4142 30.2867 176.7957 46 F 4.9601 7.2907 113.9357 56.9835 40.2931 177.0063 47 K 4.0673 8.1428 120.3404 58.8904 32.2904 177.5526 48 H 4.4442 8.1211 114.5005 57.2026 29.2088 175.7272 49 L 3.9321 7.3073 120.4611 55.4818 41.7330 176.9656 50 K 4.2590 9.7119 123.6567 57.3900 33.3037 176.6844 51 T 4.7083 7.2885 107.5922 59.1152 73.1963 174.1225 52 E 3.9338 8.5636 119.7525 59.0481 29.5654 178.2573 53 A 4.0858 7.9021 120.7333 54.8778 18.2719 179.3134 54 E 3.8853 7.9781 116.4765 59.7393 29.8656 178.8657 55 M 4.1101 8.0834 118.7827 58.6697 31.8738 178.9933 56 K 3.9100 8.2657 116.9847 59.0980 32.2920 178.2843 57 A 4.5063 7.4100 117.5814 51.1780 19.1330 176.8811 58 S 4.3546 7.6844 114.6614 57.1999 62.9213 174.4046 59 E 3.9297 8.9344 129.1087 59.3889 29.4833 177.8945 60 D 4.4572 8.2363 118.5118 57.6722 40.9650 178.3933 61 L 3.1199 7.8798 120.3986 58.1357 42.0083 179.0987 62 K 3.9310 7.8576 118.6812 59.2207 32.0966 178.9932 63 K 4.0894 8.0308 119.0868 59.3814 31.8778 178.7905 64 H 4.4761 8.4618 119.0167 59.0316 29.7833 177.5708 65 G 3.5599 8.2991 107.8111 47.5418 0.0000 175.9738 66 V 3.5965 7.7460 120.3167 66.0545 31.6364 178.1691 67 T 3.8554 7.9655 115.2587 66.6084 68.3964 176.3251 68 A 4.0053 8.1792 122.7373 55.2446 18.3975 179.6481 69 L 4.0833 8.0818 117.4369 58.3456 41.7279 179.6973 70 T 3.9593 8.2104 115.5665 66.8755 68.2410 176.3026 71 A 4.0105 7.9983 122.2491 54.9585 18.2799 179.4894 72 L 3.7346 7.9659 118.7872 58.2145 42.2210 179.1174 73 G 3.4890 8.3204 105.6546 48.0769 0.0000 175.3683 74 A 4.0584 7.7899 121.6796 54.5423 18.6191 179.5780 75 I 3.8403 7.2147 118.6696 64.4600 37.2693 178.5114 76 L 3.9599 7.8456 120.1050 57.6014 41.1729 179.5630 77 K 3.9525 7.6656 117.0291 58.5096 32.2152 179.0042 78 K 3.9034 7.8052 118.7920 56.4801 32.5118 176.7189 79 K 2.0000 8.1759 117.8334 56.4089 29.5983 175.6731 80 G 3.9999 7.9467 106.2070 45.7217 0.0000 173.8936 81 H 4.8456 7.5802 118.2605 54.0119 27.2407 174.5471 82 H 5.2380 7.3184 112.1009 53.9946 29.8399 176.3154 83 E 3.9789 8.5428 121.4892 60.1756 28.9733 179.1671 84 A 4.0334 7.9000 118.3282 55.3449 19.2014 179.0867 85 E 4.0673 8.1832 116.6029 59.4217 29.4569 179.1911 86 L 4.0908 8.1835 120.4521 57.6425 42.0989 178.7880 87 K 3.9280 7.8414 119.0754 59.2125 32.0857 177.4335 88 P 4.3266 0.0000 0.0000 65.6362 31.2565 178.1247 89 L 4.0567 7.4922 119.7368 57.9098 41.9501 178.7021 90 A 4.2300 8.4389 121.2078 54.9876 18.3376 179.4320 91 Q 3.8718 8.2965 118.4772 59.3999 29.1064 178.6917 92 S 4.0365 8.1198 115.3699 61.7377 63.1016 176.1367 93 H 4.1123 8.5560 119.5993 58.1907 28.0410 177.5962 94 A 2.7338 8.1997 122.9872 53.8852 18.0677 178.6342 95 T 4.0745 7.5635 108.4558 61.5766 68.7922 174.7030 96 K 4.1507 7.5225 119.7324 58.6278 33.2576 176.7924 97 H 4.3512 7.8805 114.3108 55.9307 29.3561 175.0159 98 K 3.3358 6.8373 115.3919 56.6103 28.7954 173.6753 99 I 4.3739 8.0532 119.1293 58.2772 38.9311 174.5622 100 P 4.6890 0.0000 0.0000 62.4471 32.2512 177.2237 101 I 3.6171 8.3777 121.3263 64.7855 36.9851 178.3217 102 K 3.5865 8.0946 119.5889 60.1670 31.7650 178.0333 103 Y 4.1117 7.9921 116.5329 60.8691 37.7721 178.1748 104 L 4.2186 7.8987 119.4600 57.4222 41.7012 179.2697 105 E 3.9984 7.8934 118.6410 59.3300 29.5768 179.1198 106 F 4.5967 7.7909 117.8468 60.8517 38.8911 177.6369 107 I 3.8143 8.1450 118.1535 64.1198 37.7560 177.9533 108 S 4.1993 8.2988 116.2780 61.7273 62.6514 176.3539 109 E 4.0667 8.4671 121.7413 59.1058 29.3734 178.7269 110 A 4.0727 7.9785 120.6842 54.9607 18.3603 179.6927 111 I 3.7234 8.1089 118.8258 64.6832 37.1502 178.7643 112 I 3.8435 7.9935 120.7210 64.4090 36.8161 178.0513 113 H 4.1213 8.4830 119.3058 59.2268 29.7061 177.5833 114 V 3.5356 7.8414 120.0029 66.0438 31.3228 177.9262 115 L 3.7772 7.9683 119.0108 57.7755 41.0225 178.9466 116 H 4.3368 7.8858 117.2845 59.4824 29.9311 177.1346 117 S 4.1830 7.8950 115.4467 61.8572 62.8038 176.7116 118 R 4.0273 7.8500 118.9326 57.6889 31.3065 176.6892 119 H 5.0506 8.2160 115.2994 53.8410 29.4036 172.9205 120 P 4.3346 0.0000 0.0000 65.7627 31.8063 179.5035 121 G 3.6979 8.1275 106.5838 47.4228 0.0000 173.6986 122 N 5.0140 8.3009 115.3019 52.9919 39.3815 174.6799 123 F 4.9204 7.9131 119.3232 56.5034 39.6240 174.4020 124 G 3.8940 7.7952 108.3613 43.7708 0.0000 172.6147 125 A 3.8862 8.3793 120.7263 55.3680 18.2121 179.5238 126 D 4.2123 7.9902 116.4980 57.5384 40.9041 178.8259 127 A 3.8982 7.7720 120.6999 55.1350 18.3361 179.3169 128 Q 3.2315 7.9561 118.5834 58.7711 28.8782 178.6956 129 G 3.4561 7.9785 106.8203 47.5452 0.0000 175.6559 130 A 3.8413 8.1172 123.3802 54.8746 18.2677 179.4384 131 M 3.9484 8.3686 117.1594 58.7974 32.3390 177.7325 132 N 4.2759 8.3599 117.4592 56.8958 38.9806 176.8101 133 K 3.8628 8.2621 119.6323 59.3855 32.1221 179.1615 134 A 3.8249 8.0489 121.1603 55.1948 18.2024 179.7453 135 L 4.1452 8.2580 117.6166 57.7691 41.6522 179.5691 136 E 3.9754 8.5413 119.1197 59.0546 29.2889 178.8870 137 L 3.9087 8.2692 120.7410 58.1941 42.1585 178.3929 138 F 4.1571 8.3142 120.4725 61.8737 39.1668 177.5094 139 R 3.4492 8.3038 117.3762 58.8721 29.8536 179.0443 140 K 3.8429 8.3899 119.8225 59.5650 32.2172 178.6832 141 D 4.2891 8.2314 119.3002 57.2842 40.6632 178.6583 142 I 3.3775 7.6748 120.4561 64.3768 37.1789 178.2461 143 A 3.6562 7.9577 121.4978 55.1303 18.1389 179.5675 144 A 4.0024 7.8279 119.1399 55.0698 18.4335 180.0391 145 K 4.0492 7.9693 117.2649 59.5905 32.0739 179.1375 146 Y 4.3713 8.2839 117.5454 61.0847 37.8208 178.6068 147 K 3.9981 8.1444 120.2081 59.6319 32.0958 178.7886 148 E 4.0687 8.0599 117.8311 59.0055 29.4635 178.5672 149 L 4.3315 7.8273 117.1468 55.3471 41.9299 177.7496 150 G 4.0122 8.0151 107.4064 45.4416 0.0000 172.9541 151 Y 4.4754 8.2170 119.7580 58.3892 40.1987 175.9209 152 Q 3.8268 7.9577 120.9798 54.4066 29.1330 175.7878 153 G 4.1046 8.3231 111.0988 45.8592 0.0000 172.1207 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 0 M 8.30 4.44 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.89 4.20 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 0.88 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.31 0.00 0.94 0.73 0.58 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.44 4.53 0.00 4.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.76 4.34 0.00 2.20 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 2.43 2.52 0.00 5 G 8.12 3.63 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 0.00 0.00 0.00 6 E 7.95 3.97 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 7 W 8.10 4.28 0.00 3.55 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 8 Q 8.48 4.11 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 9 L 7.89 4.08 0.00 1.90 1.76 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.82 3.76 2.45 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 1.18 0.00 0.00 0.93 0.00 0.00 11 L 8.65 4.38 0.00 1.88 1.80 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.36 0.00 3.40 3.42 0.00 5.77 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 13 V 7.86 3.86 2.44 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 1.05 0.00 0.00 0.90 0.00 0.00 14 W 8.55 4.03 0.00 3.59 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.98 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.30 3.95 0.00 1.55 1.68 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.46 7.81 17 V 7.21 2.84 1.06 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 -0.10 0.00 0.00 0.48 0.00 0.00 18 E 7.56 3.81 0.00 1.99 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 2.17 2.09 0.00 19 A 7.41 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.98 4.60 0.00 2.69 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 21 V 8.04 3.41 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 1.05 0.00 0.00 0.83 0.00 0.00 22 A 8.04 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 23 G 8.21 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 24 H 8.23 4.15 0.00 3.11 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.42 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.14 3.83 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 D 7.95 4.30 0.00 2.89 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 28 I 7.70 3.63 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 1.52 0.62 0.89 0.00 0.00 29 L 7.71 3.47 0.00 1.53 1.17 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.70 3.71 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 1.42 0.56 0.89 0.00 0.00 31 R 7.96 3.81 0.00 1.92 2.12 0.00 3.04 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 32 L 7.82 3.89 0.00 1.71 1.35 1.04 0.94 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 33 F 7.83 4.66 0.00 3.12 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 34 K 8.40 4.03 0.00 1.65 1.84 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.75 7.81 35 S 8.08 4.34 0.00 3.86 3.60 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 0.00 0.00 0.00 0.00 36 H 8.45 4.61 0.00 2.86 2.91 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.69 0.00 2.16 2.09 0.00 3.81 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 2.08 2.20 0.00 38 E 8.20 4.15 0.00 2.31 2.30 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 2.30 2.51 0.00 39 T 8.37 3.95 4.41 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 0.00 0.00 0.00 0.73 0.00 0.00 40 L 8.04 3.91 0.00 1.44 1.77 0.04 0.74 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 41 E 7.90 4.19 0.00 2.29 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 2.38 2.40 0.00 42 K 8.16 4.40 0.00 1.94 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 2.00 7.81 43 F 8.23 4.48 0.00 3.27 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 44 D 8.52 4.36 0.00 2.60 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 45 R 7.78 3.83 0.00 1.21 0.66 0.00 3.10 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 46 F 7.29 4.96 0.00 2.84 2.84 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 47 K 8.14 4.07 0.00 1.87 2.19 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.42 7.81 48 H 8.12 4.44 0.00 3.31 3.49 0.00 5.55 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.31 3.93 0.00 1.51 1.58 0.83 0.62 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 50 K 9.71 4.26 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.53 7.81 51 T 7.29 4.71 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 52 E 8.56 3.93 0.00 2.05 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 2.35 2.36 0.00 53 A 7.90 4.09 1.31 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 54 E 7.98 3.89 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 55 M 8.08 4.11 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 56 K 8.27 3.91 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.58 7.81 57 A 7.41 4.51 1.31 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 58 S 7.68 4.35 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.93 3.93 0.00 2.13 1.96 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 2.39 2.48 0.00 60 D 8.24 4.46 0.00 3.01 3.20 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 61 L 7.88 3.12 0.00 1.21 1.56 -0.19 0.34 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 62 K 7.86 3.93 0.00 1.82 1.75 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.03 4.09 0.00 2.06 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.54 7.81 64 H 8.46 4.48 0.00 3.62 3.54 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.30 3.56 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 0.00 66 V 7.75 3.60 2.28 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 1.11 0.00 0.00 0.95 0.00 0.00 67 T 7.97 3.86 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 1.28 0.00 0.00 68 A 8.18 4.01 1.34 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 0.00 0.00 0.00 69 L 8.08 4.08 0.00 1.84 1.89 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.21 3.96 4.45 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 1.26 0.00 0.00 71 A 8.00 4.01 1.40 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 72 L 7.97 3.73 0.00 1.66 1.78 0.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.32 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 74 A 7.79 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 75 I 7.21 3.84 1.81 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 1.53 0.87 0.88 0.00 0.00 76 L 7.85 3.96 0.00 1.21 1.55 -0.10 1.10 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 77 K 7.67 3.95 0.00 1.66 1.79 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.48 7.81 78 K 7.81 3.90 0.00 1.87 1.79 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 1.84 7.81 79 K 8.18 2.00 0.00 1.27 0.74 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.72 7.81 80 G 7.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.58 4.85 0.00 3.20 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.32 5.24 0.00 3.29 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.54 3.98 0.00 2.10 2.12 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 2.44 2.52 0.00 84 A 7.90 4.03 1.31 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 85 E 8.18 4.07 0.00 2.24 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 0.00 2.40 2.44 0.00 86 L 8.18 4.09 0.00 2.04 1.68 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.84 3.93 0.00 1.98 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 88 P 0.00 4.33 0.00 2.30 2.33 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 89 L 7.49 4.06 0.00 1.87 1.93 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.30 3.87 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 92 S 8.12 4.04 0.00 4.00 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 93 H 8.56 4.11 0.00 3.60 3.58 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.20 2.73 0.72 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 0.00 0.00 95 T 7.56 4.07 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 1.11 0.00 0.00 96 K 7.52 4.15 0.00 1.56 1.57 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.33 7.81 97 H 7.88 4.35 0.00 2.98 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.84 3.34 0.00 1.84 1.78 0.00 1.41 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.22 7.81 99 I 8.05 4.37 2.10 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 1.53 0.99 1.15 0.00 0.00 100 P 0.00 4.69 0.00 1.98 2.02 0.00 3.25 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 0.74 1.43 0.00 101 I 8.38 3.62 1.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.28 0.81 0.00 0.00 102 K 8.09 3.59 0.00 1.74 1.70 0.00 0.82 0.00 0.00 1.51 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.33 7.81 103 Y 7.99 4.11 0.00 3.24 3.03 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 0.00 104 L 7.90 4.22 0.00 1.83 1.77 0.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.89 4.00 0.00 2.10 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 2.32 2.40 0.00 106 F 7.79 4.60 0.00 3.13 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 0.00 107 I 8.15 3.81 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 1.09 0.00 0.00 108 S 8.30 4.20 0.00 4.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.47 4.07 0.00 2.17 2.38 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 2.39 2.41 0.00 110 A 7.98 4.07 1.39 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 0.00 111 I 8.11 3.72 2.11 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 1.62 0.81 1.04 0.00 0.00 112 I 7.99 3.84 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.74 1.12 0.00 0.00 113 H 8.48 4.12 0.00 3.38 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.84 3.54 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 0.99 0.00 0.00 1.00 0.00 0.00 115 L 7.97 3.78 0.00 0.35 0.63 0.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.89 4.34 0.00 3.46 3.60 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.89 4.18 0.00 3.79 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 0.00 118 R 7.85 4.03 0.00 1.47 1.59 0.00 2.85 0.00 0.00 2.94 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 119 H 8.22 5.05 0.00 3.19 3.20 0.00 5.62 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 0.00 120 P 0.00 4.33 0.00 2.21 2.26 0.00 3.74 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 2.07 1.94 0.00 121 G 8.13 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.30 5.01 0.00 2.81 2.96 0.00 0.00 6.66 6.90 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 0.00 123 F 7.91 4.92 0.00 2.98 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 0.00 124 G 7.80 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 0.00 125 A 8.38 3.89 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 0.00 126 D 7.99 4.21 0.00 2.64 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 0.00 127 A 7.77 3.90 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 0.00 128 Q 7.96 3.23 0.00 1.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 129 G 7.98 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.12 3.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.37 3.95 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.36 4.28 0.00 2.92 2.94 0.00 0.00 7.30 8.02 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 0.00 133 K 8.26 3.86 0.00 1.82 1.66 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 134 A 8.05 3.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.26 4.15 0.00 1.76 1.83 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.54 3.98 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 137 L 8.27 3.91 0.00 1.86 1.97 1.03 1.22 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 0.00 138 F 8.31 4.16 0.00 3.10 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 0.00 139 R 8.30 3.45 0.00 1.98 1.84 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 140 K 8.39 3.84 0.00 1.74 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.23 4.29 0.00 2.87 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 0.00 142 I 7.67 3.38 1.27 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.18 0.10 0.00 0.00 143 A 7.96 3.66 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.83 4.00 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 0.00 145 K 7.97 4.05 0.00 1.95 1.94 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.64 7.81 146 Y 8.28 4.37 0.00 3.19 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 0.00 147 K 8.14 4.00 0.00 1.89 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.06 4.07 0.00 2.20 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 2.36 2.51 0.00 149 L 7.83 4.33 0.00 1.84 1.71 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.02 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 0.00 151 Y 8.22 4.48 0.00 2.54 2.65 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 0.00 0.00 0.00 0.00 152 Q 7.96 3.83 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 153 G 8.32 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 0.00 0.00 0.00