NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3879 8.4045 120.3493 54.8154 32.7126 175.4447 2 E 3.9838 8.5892 124.8297 56.8077 30.7071 171.7438 3 L 5.0723 8.6544 122.5277 53.0033 45.7601 174.8857 4 T 4.8420 8.8509 114.8244 61.2011 71.4082 172.0501 5 T 5.2875 8.4850 110.7550 60.0979 72.0177 173.2387 6 R 4.7362 8.8116 121.4539 55.2231 34.2354 173.5267 7 T 4.9703 8.3975 121.0505 61.8166 70.5896 174.0525 8 L 4.4026 9.3304 128.6044 53.3222 42.7492 175.4871 9 P 4.6212 0.0000 0.0000 62.2591 32.1301 176.2724 10 A 4.0417 8.4910 121.8760 54.3372 18.4024 177.9607 11 R 4.1902 7.6790 116.6245 55.1029 30.1049 175.7071 12 K 4.4648 8.5327 125.1326 56.1889 34.4076 176.0842 13 H 5.2326 9.6817 120.8532 54.8764 30.1285 173.9458 14 I 5.0175 9.2757 125.4513 59.5351 39.4854 174.7909 15 A 5.1497 9.1263 129.2970 50.4937 21.1118 175.6599 16 L 4.9870 9.1167 122.8107 52.9395 44.4880 175.8790 17 V 4.5823 8.9028 123.8946 61.0371 34.9949 174.1113 18 A 5.4119 8.3740 126.9034 51.0047 22.5098 175.6973 19 H 4.7769 9.4157 118.9274 55.5489 30.1353 176.4316 20 D 4.4571 9.1740 121.5842 58.3716 40.5617 179.4353 21 H 4.4039 8.3577 113.2681 57.5941 29.1864 176.2175 22 C 4.7055 8.4495 117.9750 59.3873 28.6058 175.5706 23 K 4.1170 7.9459 124.2045 60.2759 31.6764 179.5912 24 Q 4.0806 8.1592 120.3934 60.3922 28.0287 180.0291 25 M 4.3228 8.0972 119.7349 58.6095 32.3480 177.9620 26 L 4.1007 8.2957 120.4567 58.2855 42.1139 178.6875 27 M 4.1131 8.5240 119.0550 58.6692 31.9168 178.8149 28 S 4.1739 8.3048 115.0767 61.4728 62.9277 176.6222 29 W 4.1781 8.5278 130.9486 60.5374 30.2406 178.1873 30 V 3.4666 8.2648 117.5107 66.0408 31.1724 177.5668 31 E 4.0876 8.5057 118.6305 59.5099 29.0901 179.5835 32 R 3.9651 8.1324 117.0858 58.2749 30.2025 177.2187 33 H 4.6099 7.2513 114.7732 55.1951 29.6853 175.3016 34 Q 3.8806 7.6881 123.5165 59.2167 28.4179 176.9620 35 P 4.1831 0.0000 0.0000 65.6652 31.6971 177.9135 36 L 4.1980 7.7350 118.3090 58.0109 42.2539 178.7241 37 L 4.2110 8.1855 118.9869 57.6437 41.2889 179.1214 38 E 4.1719 8.3573 117.9984 58.2173 29.3334 177.4846 39 Q 4.3979 7.6470 115.6093 56.0088 28.8773 174.1818 40 H 4.9581 7.9086 115.0180 54.2201 33.0992 172.7867 41 V 4.1390 8.5634 119.5299 61.9000 32.7990 174.4515 42 L 5.2412 8.3485 127.7808 53.6189 43.9487 175.1532 43 Y 5.2424 9.1691 120.0863 56.6763 42.5750 174.1000 44 A 5.1573 8.8000 121.6780 52.1571 23.6411 175.9211 45 T 4.0691 8.4703 109.7187 61.1491 70.5295 175.2414 46 G 3.8493 8.9348 106.9843 49.1061 0.0000 176.1112 47 T 3.8906 7.7195 116.5736 66.0165 68.8479 176.9035 48 T 3.9770 7.9890 117.2195 66.7284 68.5682 176.4663 49 G 3.7431 8.5117 107.8008 48.2053 0.0000 175.3716 50 N 4.4095 8.1606 118.7271 55.9467 38.4161 177.6300 51 L 4.0558 8.1083 120.4951 57.6200 41.6391 179.6587 52 I 3.7568 7.9689 120.1115 64.5282 37.1754 178.7471 53 S 4.4147 8.2201 117.5252 62.0610 62.6044 177.1590 54 R 4.0301 8.1016 122.9289 60.2049 29.1900 180.7487 55 A 4.7088 7.5555 117.9915 53.5933 20.1733 178.1762 56 T 4.3670 8.3404 106.4124 60.9380 70.0429 176.1280 57 G 3.9353 8.0986 109.0440 45.7570 0.0000 173.9047 58 M 4.1505 7.6669 119.0421 55.0459 32.5115 175.4740 59 N 4.5769 8.4602 119.9068 52.6864 39.3321 174.3434 60 V 4.4047 8.0738 125.5682 61.1341 34.2822 175.1952 61 N 4.6206 9.0483 126.1377 52.5594 38.3406 173.2133 62 A 4.7458 8.2893 125.3446 51.8242 19.4507 176.8083 63 M 4.6131 8.8136 123.9347 54.1793 35.5325 175.8251 64 L 4.2378 9.0033 119.6825 55.0594 43.3674 176.9487 65 S 4.3408 8.6625 115.3433 58.5758 63.4757 174.9649 66 G 3.8315 9.1125 112.7065 47.9654 0.0000 174.2927 67 P 4.1819 0.0000 0.0000 64.2716 31.3964 177.5477 68 M 4.4425 7.6662 115.2257 54.5669 32.7619 175.7999 69 G 3.8805 8.0139 107.4249 45.3288 0.0000 176.4877 70 G 3.6623 8.7924 108.6596 48.0437 0.0000 175.7015 71 D 4.3007 7.9821 120.5606 57.2267 40.8398 178.6638 72 Q 4.0127 8.0030 118.0245 58.5549 28.7884 178.5402 73 Q 3.9201 7.8398 119.1932 58.8602 28.7405 178.7367 74 V 3.5831 7.7558 119.3922 65.9072 31.5715 178.1463 75 G 3.6151 8.3482 105.5663 47.8392 0.0000 175.4422 76 A 3.9451 8.2717 123.5331 54.8411 18.3715 179.6767 77 L 3.7759 7.8736 117.4539 57.8597 41.6339 179.8915 78 I 3.5354 7.7702 120.0335 64.3408 36.8796 178.7034 79 S 2.7900 7.6224 113.3524 60.2228 62.8931 175.2779 80 E 4.0295 7.4045 120.1701 55.5048 29.4582 176.6261 81 G 3.6265 7.1975 107.0208 46.3379 0.0000 174.7205 82 K 4.1660 8.0541 117.9751 55.7555 32.7873 176.6393 83 I 4.3771 7.2265 119.6359 59.4910 39.7732 174.6691 84 D 4.8451 9.0889 124.5214 54.8782 42.8039 177.1196 85 V 4.7196 7.6417 117.3047 60.9347 35.5563 173.6763 86 L 5.0877 9.0212 129.0850 53.4397 44.8538 174.9893 87 I 4.6126 8.8671 128.2947 59.8303 39.1295 174.5399 88 F 5.3310 9.4127 131.4805 56.5832 41.1325 173.4203 89 F 5.6443 9.5530 127.1431 56.1690 37.7952 175.0729 90 W 4.5182 7.9108 119.2853 55.2804 29.9329 176.2015 91 D 4.4134 9.0914 121.7084 52.9743 40.3489 174.3411 92 P 4.4135 0.0000 0.0000 63.4436 31.7891 176.4866 93 L 4.7467 8.2030 118.3594 54.3277 42.2908 175.7145 94 N 4.9381 7.8271 114.3229 51.6796 42.5329 173.8495 95 A 4.3672 8.5132 125.0748 51.5739 19.8668 177.1451 96 V 4.4625 8.0759 115.9401 58.4824 33.9885 175.1291 97 P 4.3114 0.0000 0.0000 65.9615 31.3183 176.9026 98 H 4.8600 8.0410 114.3745 55.3666 29.9787 176.7410 99 D 4.2745 7.8373 123.0430 58.2198 41.0065 175.2925 100 P 4.2203 0.0000 0.0000 66.0262 31.0850 178.0842 101 D 4.3413 8.0673 118.0821 57.0084 40.8523 178.5733 102 V 3.7992 7.7425 118.6078 66.2817 31.5536 178.2863 103 K 3.8138 8.3134 118.1814 59.2529 31.8065 179.2963 104 A 3.9856 8.3563 121.5747 54.9313 18.2892 179.4642 105 L 3.9240 8.1975 119.0348 58.4194 42.2167 179.3004 106 L 4.1220 7.9820 118.8828 57.5781 41.4851 179.4861 107 R 3.8911 8.1569 118.9848 59.3620 29.9391 178.6349 108 L 4.0742 8.0879 118.6973 57.7495 41.5308 179.2937 109 A 4.0937 8.1883 120.7511 55.3114 18.3083 179.9852 110 T 3.8775 7.7238 114.0537 66.7228 68.3919 177.1908 111 V 3.3558 7.5512 119.2013 65.7467 31.4908 176.7316 112 W 4.3952 8.2829 116.3775 55.9931 29.3287 175.6104 113 N 4.1657 7.6238 116.1266 54.8892 37.1190 173.2225 114 I 4.6973 7.2664 110.1039 58.2471 41.0418 175.1649 115 P 4.4747 0.0000 0.0000 63.0931 32.2729 175.4593 116 V 5.0735 8.4996 123.1844 61.0432 34.6902 174.1803 117 A 4.9287 9.1994 129.1209 50.3786 21.6035 176.4183 118 T 5.3715 9.0280 110.4634 60.5572 70.0161 173.8259 119 N 4.1172 7.4134 119.1561 50.3002 41.3915 175.0916 120 V 3.3834 7.5848 120.1244 66.1494 31.5442 177.8756 121 A 4.1106 7.8472 119.8117 55.7539 18.2271 179.6542 122 T 3.8681 8.5441 114.2307 66.3873 68.4034 177.0464 123 A 3.9270 7.9304 122.8887 55.2222 18.3563 179.3541 124 D 4.5843 8.7084 117.8492 57.8199 40.7436 179.1123 125 F 3.9410 8.2875 116.9390 60.4560 39.1642 177.6852 126 I 3.9747 7.9909 119.4645 64.5571 36.8517 178.4295 127 I 2.5197 7.7331 117.8378 63.2134 37.8206 176.9933 128 Q 4.2218 7.6980 116.6555 55.3973 29.5112 176.0462 129 S 4.2898 7.5718 117.0065 57.1471 63.0483 172.7075 130 P 4.2830 0.0000 0.0000 66.6244 30.6670 177.4019 131 H 5.2787 8.1756 113.0175 55.1579 28.4533 176.8618 132 F 4.2483 8.3328 124.3908 60.5443 39.2699 175.7102 133 N 4.9116 7.7870 115.2486 52.9325 38.4379 173.4417 134 D 5.0656 7.4791 118.3135 51.9252 44.9712 174.8791 135 A 5.2046 8.3655 121.4336 51.4289 18.9390 177.1121 136 V 4.3652 8.4015 122.4869 61.4580 34.5717 173.9398 137 D 5.4227 8.6759 126.8593 52.8750 42.1992 175.7532 138 I 4.6634 8.6476 117.2585 58.8965 41.0051 174.5620 139 L 5.0274 8.4723 124.0604 54.3066 42.4639 176.1953 140 I 4.9060 8.9174 117.0605 57.9430 41.4457 173.0126 141 P 4.3848 0.0000 0.0000 63.3256 32.0598 176.7838 142 D 4.6949 8.7168 122.1063 53.1305 40.3709 176.2091 143 Y 4.2566 8.7415 129.4420 61.1063 39.0585 177.9280 144 Q 4.0968 8.5903 123.4535 61.2480 28.1275 181.4596 145 R 4.1726 7.9225 122.1021 61.1039 29.2436 180.2283 146 Y 4.1374 7.9467 119.8852 60.6475 38.9741 177.9113 147 L 3.3874 8.1464 121.3158 57.8378 41.8848 178.6375 148 A 3.9368 7.6716 119.7988 55.3313 18.0328 179.0806 149 D 4.3564 7.7690 117.0636 57.3711 40.6301 179.1745 150 R 3.8837 7.2108 118.1060 58.2399 30.0075 177.9244 151 L 4.5618 7.3190 118.6913 54.8663 41.9325 177.3876 152 K 4.1602 7.4845 126.0709 54.8581 31.6482 180.8241 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 M 8.40 4.39 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 2 E 8.59 3.98 0.00 1.78 1.83 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 2.32 1.98 0.00 3 L 8.65 5.07 0.00 1.49 1.59 0.91 0.83 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 4 T 8.85 4.84 4.30 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 1.34 0.00 0.00 5 T 8.49 5.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 6 R 8.81 4.74 0.00 1.91 1.80 0.00 3.03 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 7 T 8.40 4.97 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 1.26 0.00 0.00 8 L 9.33 4.40 0.00 1.54 1.58 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.62 0.00 2.28 2.06 0.00 3.99 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 10 A 8.49 4.04 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 11 R 7.68 4.19 0.00 1.71 1.81 0.00 3.18 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 12 K 8.53 4.46 0.00 1.49 1.58 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.57 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 0.60 7.81 13 H 9.68 5.23 0.00 3.17 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.28 5.02 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 1.08 0.00 0.00 15 A 9.13 5.15 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.12 4.99 0.00 1.54 1.56 1.01 0.70 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 17 V 8.90 4.58 1.59 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 0.67 0.00 0.00 0.66 0.00 0.00 18 A 8.37 5.41 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 19 H 9.42 4.78 0.00 3.28 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.17 4.46 0.00 2.74 2.75 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 21 H 8.36 4.40 0.00 3.34 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.45 4.71 0.00 3.24 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 23 K 7.95 4.12 0.00 1.99 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.71 7.81 24 Q 8.16 4.08 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 25 M 8.10 4.32 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 26 L 8.30 4.10 0.00 1.74 1.83 0.25 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.52 4.11 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.96 0.00 28 S 8.30 4.17 0.00 4.15 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 29 W 8.53 4.18 0.00 3.67 3.51 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 0.00 30 V 8.26 3.47 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 0.91 0.00 0.00 1.19 0.00 0.00 31 E 8.51 4.09 0.00 2.29 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 2.33 2.36 0.00 32 R 8.13 3.97 0.00 1.90 1.84 0.00 3.14 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 33 H 7.25 4.61 0.00 2.30 2.84 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.69 3.88 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 35 P 0.00 4.18 0.00 2.01 2.09 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 36 L 7.73 4.20 0.00 1.76 1.78 1.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.19 4.21 0.00 1.71 1.75 0.74 1.13 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 38 E 8.36 4.17 0.00 2.20 2.01 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 2.34 2.31 0.00 39 Q 7.65 4.40 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 40 H 7.91 4.96 0.00 3.10 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.56 4.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.88 0.00 0.00 42 L 8.35 5.24 0.00 1.74 1.58 0.95 0.92 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 43 Y 9.17 5.24 0.00 2.83 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 A 8.80 5.16 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 45 T 8.47 4.07 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 1.12 0.00 0.00 46 G 8.93 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 0.00 0.00 0.00 47 T 7.72 3.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 T 7.99 3.98 4.25 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 1.22 0.00 0.00 49 G 8.51 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.16 4.41 0.00 2.89 2.88 0.00 0.00 7.07 6.70 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 51 L 8.11 4.06 0.00 1.87 1.74 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.97 3.76 2.03 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 1.62 0.75 0.93 0.00 0.00 53 S 8.22 4.41 0.00 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.10 4.03 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 55 A 7.56 4.71 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 4.37 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 57 G 8.10 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 58 M 7.67 4.15 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 59 N 8.46 4.58 0.00 2.64 2.69 0.00 0.00 6.73 7.71 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 60 V 8.07 4.40 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 0.87 0.00 0.00 0.92 0.00 0.00 61 N 9.05 4.62 0.00 2.24 2.65 0.00 0.00 6.50 7.29 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 62 A 8.29 4.75 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 63 M 8.81 4.61 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 64 L 9.00 4.24 0.00 1.70 1.58 0.91 0.93 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 65 S 8.66 4.34 0.00 3.90 3.72 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 66 G 9.11 3.83 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 0.00 0.00 0.00 67 P 0.00 4.18 0.00 1.96 1.99 0.00 3.55 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 1.97 1.92 0.00 68 M 7.67 4.44 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 69 G 8.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.79 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.98 4.30 0.00 2.75 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 72 Q 8.00 4.01 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 73 Q 7.84 3.92 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 74 V 7.76 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 75 G 8.35 3.62 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 0.00 0.00 0.00 76 A 8.27 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.87 3.78 0.00 1.72 1.47 0.71 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.77 3.54 1.98 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 1.51 0.96 0.93 0.00 0.00 79 S 7.62 2.79 0.00 3.89 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 80 E 7.40 4.03 0.00 1.96 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 2.13 2.16 0.00 81 G 7.20 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 82 K 8.05 4.17 0.00 1.57 1.60 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.21 7.81 83 I 7.23 4.38 1.72 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.84 0.00 0.00 84 D 9.09 4.85 0.00 2.50 2.70 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 85 V 7.64 4.72 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.05 0.00 0.00 86 L 9.02 5.09 0.00 1.80 1.54 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.87 4.61 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.13 0.00 0.00 88 F 9.41 5.33 0.00 3.03 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 89 F 9.55 5.64 0.00 2.94 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 90 W 7.91 4.52 0.00 3.07 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 0.00 0.00 0.00 0.00 91 D 9.09 4.41 0.00 2.80 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 92 P 0.00 4.41 0.00 1.89 1.14 0.00 3.47 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 93 L 8.20 4.75 0.00 1.52 1.60 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.83 4.94 0.00 2.81 2.66 0.00 0.00 7.04 7.35 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 95 A 8.51 4.37 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 96 V 8.08 4.46 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 0.80 0.00 0.00 0.90 0.00 0.00 97 P 0.00 4.31 0.00 2.22 2.23 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 98 H 8.04 4.86 0.00 3.57 3.55 0.00 5.48 0.00 0.00 0.00 0.00 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.84 4.27 0.00 2.91 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 0.00 100 P 0.00 4.22 0.00 2.30 2.29 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 101 D 8.07 4.34 0.00 3.04 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 0.00 102 V 7.74 3.80 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 0.70 0.00 0.00 1.16 0.00 0.00 103 K 8.31 3.81 0.00 1.90 1.76 0.00 1.29 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.33 1.31 7.81 104 A 8.36 3.99 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 0.00 105 L 8.20 3.92 0.00 1.86 1.98 0.89 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.98 4.12 0.00 1.66 1.65 0.29 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.16 3.89 0.00 2.00 2.07 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 L 8.09 4.07 0.00 2.06 1.84 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.19 4.09 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 0.00 0.00 110 T 7.72 3.88 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 1.19 0.00 0.00 111 V 7.55 3.36 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 -0.02 0.00 0.00 0.86 0.00 0.00 112 W 8.28 4.40 0.00 3.43 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 0.00 113 N 7.62 4.17 0.00 2.82 2.95 0.00 0.00 6.94 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 0.00 114 I 7.27 4.70 2.15 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 1.32 0.89 0.98 0.00 0.00 115 P 0.00 4.47 0.00 2.23 2.14 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 116 V 8.50 5.07 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 0.96 0.00 0.00 1.05 0.00 0.00 117 A 9.20 4.93 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 0.00 118 T 9.03 5.37 4.37 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 1.42 0.00 0.00 119 N 7.41 4.12 0.00 2.60 2.55 0.00 0.00 5.82 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.58 3.38 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 1.24 0.00 0.00 0.77 0.00 0.00 121 A 7.85 4.11 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 0.00 122 T 8.54 3.87 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 1.22 0.00 0.00 123 A 7.93 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.71 4.58 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 0.00 125 F 8.29 3.94 0.00 3.23 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 0.00 126 I 7.99 3.97 2.07 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 1.52 0.83 1.04 0.00 0.00 127 I 7.73 2.52 1.95 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 1.18 -0.36 0.96 0.00 0.00 128 Q 7.70 4.22 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 129 S 7.57 4.29 0.00 4.14 3.92 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 0.00 130 P 0.00 4.28 0.00 2.28 2.34 0.00 3.76 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 2.02 2.00 0.00 131 H 8.18 5.28 0.00 3.29 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.33 4.25 0.00 3.12 3.22 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 0.00 133 N 7.79 4.91 0.00 2.80 2.85 0.00 0.00 6.83 7.94 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 0.00 134 D 7.48 5.07 0.00 2.50 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 0.00 135 A 8.37 5.20 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 0.00 136 V 8.40 4.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 137 D 8.68 5.42 0.00 2.59 2.61 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 0.00 138 I 8.65 4.66 1.92 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 1.38 0.92 0.96 0.00 0.00 139 L 8.47 5.03 0.00 1.57 1.66 0.98 0.78 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 0.00 140 I 8.92 4.91 2.22 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 1.15 0.00 0.00 141 P 0.00 4.38 0.00 1.77 1.79 0.00 3.51 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 0.73 1.07 0.00 142 D 8.72 4.69 0.00 2.81 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 0.00 143 Y 8.74 4.26 0.00 3.41 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 0.00 144 Q 8.59 4.10 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 7.92 4.17 0.00 1.83 1.97 0.00 3.24 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 146 Y 7.95 4.14 0.00 3.01 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 0.00 147 L 8.15 3.39 0.00 1.02 1.34 0.84 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.67 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.77 4.36 0.00 2.71 2.60 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 0.00 150 R 7.21 3.88 0.00 1.60 1.80 0.00 3.08 0.00 0.00 2.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.00 151 L 7.32 4.56 0.00 1.58 1.63 0.87 0.72 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 0.00 152 K 7.48 4.16 0.00 1.80 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81