NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0061 8.3549 109.7368 45.9113 0.0000 172.5360 2 S 4.3182 8.3957 120.1425 58.5816 68.5727 173.8138 3 S 3.5321 8.3942 111.2564 58.0302 60.6809 169.7464 4 G 3.8305 7.8648 108.7941 46.2158 0.0000 171.3202 5 S 4.4607 8.0579 114.9574 58.2539 64.8579 174.6134 6 S 4.3776 8.5762 119.0603 57.3552 62.8929 176.1691 7 G 3.7679 8.4209 120.5527 45.3566 0.0000 173.0651 8 L 3.4621 7.6133 113.6797 55.5756 39.1132 174.1918 9 N 4.6255 8.3081 119.1818 52.8505 39.3895 174.3308 10 D 4.7599 8.2940 120.4445 53.2876 44.7449 174.2475 11 E 4.4391 8.7363 118.6834 57.8023 31.3362 177.3068 12 L 4.2539 7.9769 118.9580 56.4120 42.4542 176.9004 13 L 4.2847 7.7275 118.6987 55.8768 42.5000 177.1217 14 G 4.1140 8.5872 112.0242 45.3351 0.0000 172.9667 15 K 5.1130 7.4942 117.2390 54.5138 36.4010 175.6517 16 V 4.2933 8.6160 120.7593 63.3559 32.3149 175.4077 17 V 4.7263 8.7666 119.2127 59.8402 37.0131 173.9548 18 S 5.2577 8.3238 117.4662 57.0947 64.9555 173.0537 19 V 4.5650 8.7708 125.5785 61.3789 33.0568 174.5862 20 V 4.5007 8.8499 129.1463 61.9058 31.9630 175.6726 21 S 4.4233 8.9087 123.1643 58.4382 62.9422 174.8754 22 A 4.2590 8.7297 128.4153 54.6218 18.7961 178.7471 23 T 4.2348 7.8309 111.1139 65.1147 69.0651 175.2175 24 E 4.6200 7.7258 118.7384 54.9798 29.9043 175.2742 25 R 4.1241 8.5339 125.9834 59.3369 30.2557 178.3887 26 T 4.0553 7.3534 114.1767 66.2452 69.0025 174.3632 27 E 4.2259 8.1487 119.5581 57.0351 30.4836 175.6972 28 W 6.3000 8.6698 120.1033 54.4184 31.6105 173.7399 29 Y 4.7595 8.7158 119.1445 54.3854 41.0945 172.7569 30 P 5.2054 0.0000 0.0000 63.3203 32.9340 175.3723 31 A 4.7467 8.8354 121.2291 51.1290 23.4745 175.4109 32 L 4.6280 9.5919 125.7787 52.8335 42.3610 175.9975 33 V 4.2150 8.3522 126.8445 64.0745 32.7508 174.5172 34 I 4.3407 8.8237 118.2944 60.7186 40.7738 172.8860 35 S 4.8427 8.5396 116.4864 55.7809 64.8525 173.0071 36 P 4.4610 0.0000 0.0000 62.7027 29.3025 175.8091 37 S 4.2826 8.0020 120.3500 61.5536 63.0589 175.0442 38 C 4.1611 7.6684 119.3769 61.9606 31.8278 173.3354 39 N 4.1540 7.7436 116.0487 54.0092 38.7073 173.1294 40 D 4.7007 8.5054 120.3334 56.0606 43.2545 176.6271 41 D 4.3850 8.2338 116.9895 57.4149 40.7914 175.5734 42 I 3.5869 7.6124 120.7999 61.7138 36.4359 174.6104 43 T 4.1095 8.1836 121.6991 62.5492 68.6781 174.8396 44 V 4.1676 8.1246 127.0285 60.6027 32.6910 175.5402 45 K 4.1054 8.6448 126.7360 56.2103 32.5724 177.8432 46 K 4.0129 8.5677 120.7435 59.1496 32.3848 177.0473 47 D 4.9427 8.0291 117.2698 54.0323 41.1704 175.1811 48 Q 5.2171 7.6444 116.8968 54.6257 32.3239 174.2803 49 C 4.7855 9.0066 119.7053 58.1022 35.7214 172.5094 50 L 4.7280 8.5426 125.9817 54.8269 42.8994 175.7424 51 V 4.9708 8.7137 117.5007 59.7239 36.5130 174.3672 52 R 4.1047 8.7590 122.5242 54.1845 31.9312 175.1385 53 S 4.4926 8.4914 121.7999 58.5711 63.9452 174.4122 54 F 5.1062 9.1189 121.3831 57.6775 39.1957 176.8875 55 I 4.1623 7.4893 121.1363 62.4043 38.0493 176.1991 56 D 4.6265 7.8863 117.9199 53.2142 42.5193 175.5698 57 S 3.9132 7.7949 110.3792 59.5684 60.4311 170.2997 58 K 4.2836 7.3304 118.3247 54.6034 35.7041 176.9422 59 F 4.6207 8.2232 120.8011 56.8493 39.5656 174.9912 60 Y 4.8693 8.4638 120.9670 56.0346 41.4372 175.5876 61 S 4.7682 8.8890 116.3104 57.1660 64.5354 172.9027 62 I 4.6629 8.2792 125.8942 59.5516 40.8921 174.0315 63 A 5.3684 9.5339 125.1745 49.8217 19.8731 179.0019 64 R 3.4045 8.8837 121.1156 58.5766 30.3878 178.6836 65 K 4.2089 7.9671 115.4259 58.3429 33.2901 177.2579 66 D 4.6419 8.9921 120.4101 55.1110 41.6284 176.3200 67 I 5.1519 7.1124 118.6047 59.9753 38.6893 175.5850 68 K 4.3002 8.4098 119.0637 55.8870 35.0913 174.0503 69 E 4.1696 8.8806 123.3363 56.6744 30.3474 176.7662 70 V 4.3238 8.0391 120.0669 60.6011 34.6752 174.7811 71 D 4.8395 8.0750 120.3413 52.6472 40.9751 176.8686 72 I 3.9487 7.8763 124.2509 63.8669 37.7838 177.7411 73 L 4.1742 7.8400 118.6658 56.0407 42.0088 176.1133 74 N 4.7813 7.3285 113.3814 54.0343 39.9052 174.7408 75 L 4.2766 7.4545 117.5983 54.3456 42.5674 175.6147 76 P 4.5272 0.0000 0.0000 62.6013 33.6019 177.3949 77 E 4.0332 8.7397 118.7738 59.2628 29.0977 179.7372 78 S 4.0814 7.8945 112.5308 61.2989 62.8158 175.4949 79 E 4.2011 7.8620 122.1061 58.7882 29.2345 179.0903 80 L 3.9218 7.9688 118.9020 58.0343 41.5974 179.3660 81 S 4.2081 8.2204 112.2220 61.0270 62.1174 174.7379 82 T 4.2437 7.8121 111.1552 60.1234 69.5224 174.3206 83 K 3.8784 6.6692 117.1712 55.8193 33.5071 175.6171 84 P 4.3276 0.0000 0.0000 65.9484 31.1936 178.5737 85 G 4.5376 8.2309 106.1907 47.0900 0.0000 174.9746 86 L 4.0752 7.8955 120.3885 58.1287 41.8918 178.2983 87 Q 3.6258 8.3230 116.9050 59.5402 28.8408 179.2084 88 K 4.0794 8.4109 118.1017 59.7427 32.3996 178.6291 89 A 2.5800 7.0087 117.8904 54.9190 18.3373 179.4835 90 S 4.1277 8.9405 113.6662 61.8456 62.2424 176.7731 91 I 3.6254 8.3862 123.5891 64.6802 36.9432 177.9940 92 F 4.6261 8.5243 120.4283 60.0286 38.9771 176.1314 93 L 4.1658 8.3785 117.9351 55.0479 41.8882 176.7152 94 K 4.3308 7.4665 116.3665 58.3997 34.2253 177.5404 95 T 3.9690 9.1480 108.0303 61.5892 69.4835 174.4934 96 R 3.6036 7.8988 120.3376 54.8740 27.6010 177.8996 97 V 4.1775 7.2051 115.0246 60.9950 32.4153 173.8317 98 V 3.5932 8.4477 118.8985 60.2111 32.2024 174.5403 99 P 4.4816 0.0000 0.0000 62.2204 31.9328 176.9876 100 D 4.0539 8.6782 118.7216 56.9942 41.2240 177.7735 101 N 4.5302 8.3094 115.9548 55.5425 39.4135 175.1853 102 W 4.3742 9.1480 117.6580 58.6001 30.6055 176.7481 103 K 4.1151 7.4424 116.2863 56.8130 29.5218 174.7759 104 M 4.1910 7.8017 120.3110 56.3192 33.1901 175.8433 105 D 5.1054 7.3155 120.1774 54.2018 44.0992 176.9362 106 I 4.6580 7.5060 116.8777 61.3627 43.5495 176.2669 107 S 4.1475 8.3963 115.2178 61.8375 62.1487 176.1326 108 E 4.1716 8.1308 120.9353 58.6806 29.4301 178.5245 109 I 3.7563 7.9115 119.2773 64.3511 37.0982 177.2385 110 L 3.7951 7.3930 118.8347 54.5943 41.6084 179.5473 111 E 3.6487 7.8210 121.3596 55.8096 29.3118 175.6825 112 S 4.3596 8.0460 113.5589 56.2413 60.8782 174.0026 113 G 3.9866 7.9172 110.2625 43.5287 0.0000 168.8810 114 P 4.3547 0.0000 0.0000 65.4916 31.8805 176.5795 115 S 4.6538 7.9009 107.2451 58.2034 63.6035 172.1019 116 S 3.6848 9.2467 125.9832 58.0994 63.6282 172.6932 117 G 4.0043 8.9135 110.2728 46.0172 0.0000 173.8367 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 G 8.35 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 2 S 8.40 4.32 0.00 3.90 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 3 S 8.39 3.53 0.00 3.92 3.81 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 4 G 7.86 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 5 S 8.06 4.46 0.00 4.00 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 6 S 8.58 4.38 0.00 3.99 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 7 G 8.42 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.61 3.46 0.00 1.78 1.72 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.31 4.63 0.00 2.73 2.76 0.00 0.00 6.89 8.08 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 10 D 8.29 4.76 0.00 2.62 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 11 E 8.74 4.44 0.00 2.11 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 2.21 2.32 0.00 12 L 7.98 4.25 0.00 1.75 1.76 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.73 4.28 0.00 1.62 1.77 0.99 1.58 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 14 G 8.59 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.49 5.11 0.00 2.03 2.00 0.00 1.25 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.60 7.81 16 V 8.62 4.29 2.17 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 0.85 0.00 0.00 0.88 0.00 0.00 17 V 8.77 4.73 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 0.95 0.00 0.00 1.00 0.00 0.00 18 S 8.32 5.26 0.00 3.31 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 19 V 8.77 4.57 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 1.09 0.00 0.00 0.56 0.00 0.00 20 V 8.85 4.50 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 0.84 0.00 0.00 0.95 0.00 0.00 21 S 8.91 4.42 0.00 4.24 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 22 A 8.73 4.26 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 23 T 7.83 4.23 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 24 E 7.73 4.62 0.00 2.13 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 2.28 2.35 0.00 25 R 8.53 4.12 0.00 1.85 2.11 0.00 3.44 0.00 0.00 3.91 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 26 T 7.35 4.06 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 E 8.15 4.23 0.00 2.05 1.93 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 2.39 2.50 0.00 28 W 8.67 6.30 0.00 3.45 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 29 Y 8.72 4.76 0.00 2.86 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 30 P 0.00 5.21 0.00 2.41 2.33 0.00 3.97 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.98 0.00 31 A 8.84 4.75 1.09 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 32 L 9.59 4.63 0.00 1.71 1.52 1.34 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.35 4.22 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 0.94 0.00 0.00 0.98 0.00 0.00 34 I 8.82 4.34 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 1.04 0.00 0.00 35 S 8.54 4.84 0.00 3.89 3.77 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 36 P 0.00 4.46 0.00 2.18 2.03 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 37 S 8.00 4.28 0.00 3.85 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 38 C 7.67 4.16 0.00 2.91 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 39 N 7.74 4.15 0.00 2.52 2.57 0.00 0.00 6.03 6.52 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 40 D 8.51 4.70 0.00 2.55 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 41 D 8.23 4.39 0.00 2.64 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 42 I 7.61 3.59 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.86 0.00 0.00 43 T 8.18 4.11 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 1.21 0.00 0.00 44 V 8.12 4.17 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 0.95 0.00 0.00 0.94 0.00 0.00 45 K 8.64 4.11 0.00 1.92 1.76 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.51 7.81 46 K 8.57 4.01 0.00 1.72 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.41 7.81 47 D 8.03 4.94 0.00 2.75 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 48 Q 7.64 5.22 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 49 C 9.01 4.79 0.00 2.97 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 L 8.54 4.73 0.00 1.86 1.70 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.71 4.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.21 0.00 0.00 52 R 8.76 4.10 0.00 1.52 1.34 0.00 2.54 0.00 0.00 2.59 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 S 8.49 4.49 0.00 4.27 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 54 F 9.12 5.11 0.00 3.30 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.49 4.16 1.92 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 1.34 0.70 0.93 0.00 0.00 56 D 7.89 4.63 0.00 2.62 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 57 S 7.79 3.91 0.00 4.06 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.33 4.28 0.00 1.50 1.07 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.61 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.43 7.81 59 F 8.22 4.62 0.00 2.71 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 60 Y 8.46 4.87 0.00 3.00 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 61 S 8.89 4.77 0.00 4.08 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 62 I 8.28 4.66 1.96 0.00 0.00 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 1.32 1.31 1.05 0.00 0.00 63 A 9.53 5.37 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.88 3.40 0.00 1.87 2.02 0.00 3.31 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 65 K 7.97 4.21 0.00 1.87 1.94 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 66 D 8.99 4.64 0.00 2.68 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 67 I 7.11 5.15 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.65 0.93 0.00 0.00 68 K 8.41 4.30 0.00 1.72 1.79 0.00 1.11 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.23 1.52 7.81 69 E 8.88 4.17 0.00 1.82 1.91 0.00 0.00 0.00 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 2.34 0.00 70 V 8.04 4.32 1.72 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 0.69 0.00 0.00 0.27 0.00 0.00 71 D 8.08 4.84 0.00 2.63 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 72 I 7.88 3.95 1.85 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.95 0.00 0.00 73 L 7.84 4.17 0.00 1.56 1.64 0.88 0.85 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 74 N 7.33 4.78 0.00 2.93 2.77 0.00 0.00 7.14 7.64 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 75 L 7.45 4.28 0.00 1.94 1.63 1.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.53 0.00 2.27 2.18 0.00 3.74 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 2.09 2.07 0.00 77 E 8.74 4.03 0.00 2.07 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 2.40 2.43 0.00 78 S 7.89 4.08 0.00 3.86 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 79 E 7.86 4.20 0.00 2.17 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 2.42 2.24 0.00 80 L 7.97 3.92 0.00 1.70 1.70 0.97 0.75 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 81 S 8.22 4.21 0.00 3.86 3.97 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 82 T 7.81 4.24 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 1.23 0.00 0.00 83 K 6.67 3.88 0.00 2.05 1.78 0.00 1.50 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 84 P 0.00 4.33 0.00 2.31 2.31 0.00 3.71 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 2.08 2.03 0.00 85 G 8.23 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.90 4.08 0.00 1.84 1.71 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.32 3.63 0.00 2.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 88 K 8.41 4.08 0.00 2.20 2.05 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.75 7.81 89 A 7.01 2.58 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 90 S 8.94 4.13 0.00 3.86 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 91 I 8.39 3.63 2.02 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 1.38 0.97 0.89 0.00 0.00 92 F 8.52 4.63 0.00 2.93 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 93 L 8.38 4.17 0.00 1.62 1.60 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.47 4.33 0.00 1.77 1.83 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.45 7.81 95 T 9.15 3.97 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 96 R 7.90 3.60 0.00 1.76 1.76 0.00 3.22 0.00 0.00 3.87 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.36 0.00 97 V 7.21 4.18 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 0.62 0.00 0.00 0.96 0.00 0.00 98 V 8.45 3.59 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 -0.15 0.00 0.00 1.03 0.00 0.00 99 P 0.00 4.48 0.00 2.26 2.12 0.00 2.38 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 100 D 8.68 4.05 0.00 2.81 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 0.00 101 N 8.31 4.53 0.00 2.91 3.16 0.00 0.00 7.05 8.01 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 0.00 102 W 9.15 4.37 0.00 3.27 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 0.00 103 K 7.44 4.12 0.00 2.13 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.38 7.81 104 M 7.80 4.19 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 105 D 7.32 5.11 0.00 2.70 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 0.00 106 I 7.51 4.66 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 1.00 0.00 0.00 107 S 8.40 4.15 0.00 4.12 4.20 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 0.00 108 E 8.13 4.17 0.00 2.07 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 2.40 2.43 0.00 109 I 7.91 3.76 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.49 0.93 0.00 0.00 110 L 7.39 3.80 0.00 1.99 1.66 0.93 0.88 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 0.00 111 E 7.82 3.65 0.00 2.08 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 2.21 2.28 0.00 112 S 8.05 4.36 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.92 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 0.00 0.00 0.00 114 P 0.00 4.35 0.00 2.19 2.19 0.00 3.82 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 1.99 1.95 0.00 115 S 7.90 4.65 0.00 3.79 3.76 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 0.00 116 S 9.25 3.68 0.00 4.23 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 0.00 117 G 8.91 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