NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2773 8.3044 120.3219 55.3160 33.4218 173.8417 2 V 4.5170 8.0292 120.9445 59.9515 34.1954 172.9597 3 K 4.3385 9.6444 131.3896 55.7513 33.7559 175.3318 4 Q 4.5131 8.7847 127.2662 56.0940 29.4361 175.4440 5 I 4.3869 8.7883 125.8799 60.0008 38.1817 175.6717 6 E 4.5361 8.7794 125.5284 56.1358 30.7258 176.0099 7 S 4.6048 7.4029 112.8288 56.0419 66.6402 175.6742 8 K 3.9891 8.5194 122.2505 60.1201 31.8181 179.6139 9 T 3.8573 7.9736 115.1154 66.7357 68.4533 176.3940 10 A 4.0192 8.1649 122.6137 54.8836 18.2804 179.5770 11 F 4.1724 8.2629 119.4167 61.5408 39.4334 177.2487 12 Q 3.7455 8.4148 119.4636 59.0033 28.7849 177.8171 13 E 3.8747 8.3150 119.4804 59.4040 29.4480 179.1587 14 A 3.9020 7.8995 120.4326 55.2828 18.2316 179.6769 15 L 3.6952 7.3733 116.0019 57.9898 41.3545 179.2898 16 D 4.4154 8.3132 118.9175 57.1782 40.5571 178.5984 17 A 4.0799 8.2444 120.3677 54.4478 18.6773 179.0581 18 A 4.0468 7.9019 119.0587 52.9125 17.4709 178.6349 19 G 3.7063 8.1404 105.8806 47.1553 0.0000 175.4503 20 D 4.3299 8.6860 123.9890 52.8947 39.9158 176.9863 21 K 4.1461 7.6943 119.9805 56.0618 32.8114 176.4660 22 L 4.2508 8.4378 123.7726 55.6176 43.3355 175.6002 23 V 4.7156 9.0151 126.3056 61.0881 34.2198 174.0801 24 V 4.4101 8.8073 128.4474 61.0098 33.8252 174.1938 25 V 4.7553 8.6270 128.3735 61.1605 34.0900 173.6006 26 D 4.4709 8.6976 128.9022 52.7226 42.4514 175.1412 27 F 4.9562 8.9348 127.0933 56.4561 40.3364 175.4186 28 S 4.8819 8.9082 117.9919 56.2315 66.9469 172.6939 29 A 4.5161 7.8428 120.3458 50.2337 21.5519 177.5082 30 T 3.6597 8.4550 116.9067 64.6325 67.6472 175.1912 31 W 4.3478 7.1478 115.5931 57.3674 29.0816 175.9391 32 C 4.3948 7.1315 121.1546 58.0383 31.3974 173.3930 33 G 3.9014 8.7766 115.7183 48.0044 0.0000 172.5004 34 P 4.3358 0.0000 0.0000 64.9133 31.0835 178.9397 35 S 4.0549 7.8386 112.9659 61.5242 62.9740 176.1771 36 K 4.0904 7.8627 121.7535 59.7234 31.6942 178.8254 37 M 4.1280 7.9567 118.2890 57.5614 32.1015 177.5085 38 I 4.3512 7.5707 117.1416 61.1040 38.5363 177.1656 39 K 4.0562 7.8923 120.8691 59.9137 31.9926 176.5509 40 P 4.3254 0.0000 0.0000 65.6131 31.1975 178.2415 41 F 4.2279 8.3762 118.8662 61.2712 39.3548 176.6394 42 F 4.0669 8.7822 120.6115 61.6709 39.0890 176.4940 43 H 3.8670 8.4645 117.7700 59.1945 29.7282 177.0765 44 S 3.9482 8.2155 115.1122 61.3005 62.1334 175.9716 45 L 3.8173 7.5757 122.1568 57.8325 41.0790 179.7068 46 S 2.7900 6.4609 112.6852 60.8742 62.6828 176.0803 47 E 3.9892 7.1963 121.2669 58.3333 29.2957 178.7025 48 K 3.9870 7.3790 118.7214 58.6667 34.0598 177.9444 49 Y 4.3939 8.0107 119.8772 56.5068 34.7283 176.3895 50 S 4.2448 7.9153 115.7183 60.3980 63.9087 175.4813 51 N 4.7682 8.1747 118.1785 53.2868 38.8087 173.9514 52 V 4.5346 7.7079 115.8329 61.3755 34.8055 174.6466 53 I 4.4382 8.6282 127.8752 60.0225 39.0504 174.4838 54 F 5.1687 8.9101 125.6056 55.7079 41.4035 174.6955 55 L 5.4409 9.5227 122.9344 52.8791 46.2064 174.9490 56 E 4.8364 9.1840 121.9025 54.3554 32.8839 174.6232 57 V 4.4396 8.0414 126.7252 60.8901 33.9602 173.8380 58 D 4.8341 8.4692 128.9112 54.0885 41.6445 177.3047 59 V 3.7952 9.1740 119.9218 63.8922 32.1464 178.3002 60 D 4.4693 8.6781 120.4477 56.6513 41.2257 177.5869 61 D 4.4644 8.3063 116.3292 56.6929 41.8466 175.8959 62 C 4.7320 7.9571 119.7536 57.1525 32.2873 174.5708 63 Q 4.1940 8.3894 125.4138 58.8129 29.0750 176.4793 64 D 4.4320 8.1013 119.8072 56.4844 39.3228 178.7941 65 V 3.3897 7.6703 118.7868 65.5878 31.6536 177.4978 66 A 3.7783 7.6173 120.2090 55.2088 18.1646 179.5692 67 S 3.9466 8.5201 111.9319 61.5589 62.3798 176.2385 68 E 4.0245 8.2917 119.1133 59.1325 29.2113 177.7919 69 C 4.4537 7.6670 114.9887 58.4886 28.6912 173.0176 70 E 3.6760 7.9947 119.0914 57.0916 27.1340 175.0273 71 V 3.4828 7.5168 118.4653 62.8349 31.8289 175.5552 72 K 4.5112 8.2233 124.7528 56.3215 33.7625 175.8965 73 R 4.6343 7.2321 115.3742 55.5726 33.8435 173.8851 74 M 4.7840 8.1056 118.9820 52.4768 35.8758 173.8039 75 P 4.4003 0.0000 0.0000 63.1757 33.1060 175.0471 76 T 4.6368 8.1370 118.3074 61.7132 72.0812 172.7451 77 F 4.9665 8.4557 125.2316 55.9612 40.9147 174.8234 78 Q 5.1520 8.8657 123.0868 54.2058 31.6906 174.7011 79 F 5.2742 8.9438 120.6612 55.7818 42.3882 174.3965 80 F 5.3677 9.4944 121.2912 55.7902 43.4247 174.2135 81 K 4.7624 8.8909 120.5830 55.3579 36.5374 176.8155 82 K 3.5227 9.0702 125.0834 57.5955 30.1323 176.5427 83 G 3.9379 8.4411 104.5210 45.6651 0.0000 173.7136 84 Q 4.7165 7.7231 119.5689 53.4332 30.6525 175.0535 85 K 3.8340 8.7292 124.0319 56.7048 32.5753 176.5089 86 V 4.4021 8.4758 118.6231 60.3524 33.2493 175.3638 87 G 4.0893 7.6021 106.4035 46.2245 0.0000 172.2446 88 E 5.6857 8.9019 118.4963 55.4813 32.5314 174.3702 89 F 5.2691 8.8562 120.6778 55.9671 41.9854 173.0652 90 S 5.0193 8.9204 113.1050 56.9615 65.7145 173.5778 91 G 4.2013 8.5279 109.4299 44.8670 0.0000 174.9817 92 A 4.4894 8.4705 125.6695 51.1004 16.9847 178.4753 93 N 4.7930 7.9620 119.9873 50.9550 39.8853 174.0403 94 K 3.8950 8.2553 127.6485 59.2394 32.2154 178.7879 95 E 3.9333 7.9554 118.2153 59.2954 29.4411 179.0900 96 K 3.6784 8.3489 119.6928 59.1585 32.1170 178.3479 97 L 4.3092 8.1283 120.6256 58.4240 42.0955 178.5298 98 E 3.9753 8.6904 118.9896 59.2546 29.5437 178.5339 99 A 3.9832 8.1337 120.6966 55.6577 18.5880 179.7984 100 T 3.9517 7.9106 115.5890 66.1206 68.5498 176.9063 101 I 3.6209 7.6398 121.7241 64.6579 36.9084 178.3079 102 N 4.4439 7.8508 115.7920 56.1378 38.4888 176.8613 103 E 4.0575 8.4027 121.0494 58.1130 29.5260 177.6906 104 L 4.5778 7.2250 115.7327 54.4002 42.8359 176.8182 105 V 3.8141 7.5452 117.1746 61.6075 31.4634 175.8464 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 8.30 4.28 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 V 8.03 4.52 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 1.06 0.00 0.00 0.93 0.00 0.00 3 K 9.64 4.34 0.00 1.93 1.70 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 Q 8.78 4.51 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 5 I 8.79 4.39 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 1.02 0.00 0.00 6 E 8.78 4.54 0.00 1.93 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 2.22 2.20 0.00 7 S 7.40 4.60 0.00 4.00 3.91 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 0.00 0.00 0.00 8 K 8.52 3.99 0.00 1.85 1.96 0.00 1.88 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.76 7.81 9 T 7.97 3.86 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 A 8.16 4.02 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 11 F 8.26 4.17 0.00 3.11 3.24 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 12 Q 8.41 3.75 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 13 E 8.31 3.87 0.00 2.16 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 2.46 2.48 0.00 14 A 7.90 3.90 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 15 L 7.37 3.70 0.00 1.29 1.45 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.31 4.42 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.24 4.08 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 18 A 7.90 4.05 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 19 G 8.14 3.71 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 0.00 0.00 0.00 20 D 8.69 4.33 0.00 2.78 2.79 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 21 K 7.69 4.15 0.00 1.93 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.38 7.81 22 L 8.44 4.25 0.00 1.77 1.51 1.10 0.76 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 23 V 9.02 4.72 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 0.88 0.00 0.00 0.93 0.00 0.00 24 V 8.81 4.41 1.44 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 0.70 0.00 0.00 0.49 0.00 0.00 25 V 8.63 4.76 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 0.10 0.00 0.00 1.15 0.00 0.00 26 D 8.70 4.47 0.00 1.58 1.54 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 27 F 8.93 4.96 0.00 2.78 2.79 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 28 S 8.91 4.88 0.00 3.64 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 29 A 7.84 4.52 0.04 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 30 T 8.45 3.66 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 1.34 0.00 0.00 31 W 7.15 4.35 0.00 3.63 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.13 4.39 0.00 1.98 2.54 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 33 G 8.78 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 0.00 0.00 0.00 34 P 0.00 4.34 0.00 2.16 2.14 0.00 3.59 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 2.12 2.20 0.00 35 S 7.84 4.05 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 36 K 7.86 4.09 0.00 1.78 1.93 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.63 7.81 37 M 7.96 4.13 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 38 I 7.57 4.35 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 1.28 0.00 0.00 39 K 7.89 4.06 0.00 2.02 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.51 7.81 40 P 0.00 4.33 0.00 2.31 2.16 0.00 3.77 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 2.18 2.20 0.00 41 F 8.38 4.23 0.00 3.16 3.36 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 42 F 8.78 4.07 0.00 3.39 3.30 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 43 H 8.46 3.87 0.00 3.28 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.22 3.95 0.00 3.96 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 45 L 7.58 3.82 0.00 1.25 1.39 0.73 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.46 2.79 0.00 3.67 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.20 3.99 0.00 1.89 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 2.23 2.35 0.00 48 K 7.38 3.99 0.00 1.59 1.62 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.59 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.47 1.09 7.81 49 Y 8.01 4.39 0.00 3.44 3.10 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 50 S 7.92 4.24 0.00 3.98 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 51 N 8.17 4.77 0.00 2.75 2.92 0.00 0.00 6.70 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 52 V 7.71 4.53 2.42 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 0.33 0.00 0.00 1.00 0.00 0.00 53 I 8.63 4.44 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 1.21 0.99 0.90 0.00 0.00 54 F 8.91 5.17 0.00 2.83 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 55 L 9.52 5.44 0.00 1.52 1.54 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.18 4.84 0.00 2.01 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 2.10 2.19 0.00 57 V 8.04 4.44 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 0.90 0.00 0.00 0.45 0.00 0.00 58 D 8.47 4.83 0.00 2.71 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 59 V 9.17 3.80 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 0.72 0.00 0.00 0.99 0.00 0.00 60 D 8.68 4.47 0.00 2.89 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 61 D 8.31 4.46 0.00 2.62 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 62 C 7.96 4.73 0.00 2.93 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 63 Q 8.39 4.19 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.53 2.24 0.00 64 D 8.10 4.43 0.00 2.89 2.91 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 0.00 0.00 0.00 65 V 7.67 3.39 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 0.28 0.00 0.00 0.78 0.00 0.00 66 A 7.62 3.78 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 67 S 8.52 3.95 0.00 3.96 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 68 E 8.29 4.02 0.00 2.16 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 0.00 2.57 2.40 0.00 69 C 7.67 4.45 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.68 0.00 2.07 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 0.00 2.22 2.21 0.00 71 V 7.52 3.48 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 0.52 0.00 0.00 -0.20 0.00 0.00 72 K 8.22 4.51 0.00 1.71 1.77 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.56 7.81 73 R 7.23 4.63 0.00 1.71 1.74 0.00 3.16 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 74 M 8.11 4.78 0.00 1.67 1.63 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 75 P 0.00 4.40 0.00 1.48 1.85 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 76 T 8.14 4.64 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 1.14 0.00 0.00 77 F 8.46 4.97 0.00 2.34 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 78 Q 8.87 5.15 0.00 2.57 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 79 F 8.94 5.27 0.00 3.02 2.93 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 80 F 9.49 5.37 0.00 2.94 2.89 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 81 K 8.89 4.76 0.00 1.70 1.67 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.46 7.81 82 K 9.07 3.52 0.00 2.04 1.88 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.38 7.81 83 G 8.44 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 84 Q 7.72 4.72 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 85 K 8.73 3.83 0.00 1.52 1.64 0.00 1.62 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.18 7.81 86 V 8.48 4.40 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 0.76 0.00 0.00 0.98 0.00 0.00 87 G 7.60 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.90 5.69 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 89 F 8.86 5.27 0.00 3.29 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 90 S 8.92 5.02 0.00 4.03 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 91 G 8.53 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 0.00 0.00 0.00 92 A 8.47 4.49 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 93 N 7.96 4.79 0.00 2.87 2.86 0.00 0.00 7.05 6.82 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 94 K 8.26 3.90 0.00 1.43 0.74 0.00 1.35 0.00 0.00 0.79 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.93 1.29 7.81 95 E 7.96 3.93 0.00 2.09 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 2.37 2.30 0.00 96 K 8.35 3.68 0.00 1.60 1.40 0.00 1.33 0.00 0.00 1.04 0.00 0.00 2.47 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.91 7.81 97 L 8.13 4.31 0.00 2.02 2.08 0.85 0.70 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 98 E 8.69 3.98 0.00 2.40 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 2.47 2.55 0.00 99 A 8.13 3.98 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 0.00 100 T 7.91 3.95 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 101 I 7.64 3.62 1.75 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 1.53 1.41 0.10 0.00 0.00 102 N 7.85 4.44 0.00 2.87 2.91 0.00 0.00 7.05 7.10 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 0.00 103 E 8.40 4.06 0.00 1.96 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 0.00 2.18 2.26 0.00 104 L 7.22 4.58 0.00 1.58 1.62 0.56 0.67 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 0.00 105 V 7.55 3.81 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 0.71 0.00 0.00 1.00 0.00 0.00