NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4941 8.3049 120.3460 54.8810 33.3871 175.2171 2 E 3.8900 8.6853 126.7301 56.6272 29.9549 176.1145 3 H 4.5575 8.7101 120.9923 54.1619 28.5609 172.9934 4 V 4.3226 7.7349 120.6102 60.6281 34.7405 174.5750 5 A 4.6346 8.3434 129.5999 50.2412 20.3207 176.0164 6 F 2.9845 8.4961 123.6960 59.6718 39.5772 175.6640 7 G 3.5501 7.5697 114.8657 45.2299 0.0000 173.6677 8 S 4.1724 7.3379 116.1602 58.1538 63.3500 175.4147 9 E 4.0171 8.8221 123.7641 58.7710 29.5778 177.5280 10 D 4.9743 7.6770 117.6673 52.5945 40.2322 177.9357 11 I 3.5453 7.5633 122.6076 65.0880 37.6895 176.8558 12 E 4.0201 8.0973 117.8126 59.1096 29.3048 178.7944 13 N 4.3879 7.9669 117.2450 56.4549 38.7591 177.1510 14 T 4.0081 7.7388 116.6571 66.6798 68.7100 176.5351 15 L 4.0504 8.0455 119.9110 56.8743 41.3691 179.1543 16 A 4.2650 7.6220 120.2807 54.4828 18.3844 178.8118 17 K 4.2145 7.7047 114.9246 56.5361 32.8581 176.5777 18 M 4.5388 7.3299 119.9139 53.7226 33.8379 176.4938 19 D 4.8199 8.2636 123.0138 52.2987 42.8932 176.8715 20 D 4.5001 8.6028 118.4894 56.7553 39.1195 178.4550 21 G 3.6480 8.0770 105.7373 47.7655 0.0000 175.2368 22 Q 4.1323 9.0860 121.0282 58.3534 28.6696 178.3891 23 L 3.9378 8.0265 121.4747 58.1571 41.8545 178.3133 24 D 4.6837 7.8854 116.9368 55.6143 41.0247 177.5067 25 G 3.9052 8.0606 106.5954 43.6745 0.0000 173.7134 26 L 4.1370 6.7846 120.2444 54.1898 42.0957 177.1706 27 A 4.2203 8.0322 123.0651 53.1776 18.9182 176.8800 28 F 5.1105 6.7170 109.5564 54.3209 41.7245 174.8674 29 G 4.3543 9.4379 106.4651 45.9268 0.0000 172.7616 30 A 5.5065 9.3889 124.4297 50.3118 22.9727 175.0762 31 I 5.0066 9.0860 123.2620 59.4380 41.1649 174.2032 32 Q 4.5096 8.8283 127.8166 54.2117 30.9307 174.2300 33 L 5.3180 8.9320 126.2272 52.9157 45.7489 176.4712 34 D 5.2046 8.7103 121.6192 52.2990 41.0721 177.2595 35 G 3.8283 8.8119 106.8647 47.8432 0.0000 173.9863 36 D 4.7331 8.5650 118.1627 54.3251 41.5523 177.1741 37 G 4.0839 8.7526 108.5909 45.4098 0.0000 173.1631 38 N 4.8752 8.6183 117.8832 52.8693 39.2753 174.2673 39 I 4.4235 8.6561 124.1254 61.2109 37.6419 176.4636 40 L 4.2881 9.0598 128.0547 56.4872 42.9332 177.2453 41 Q 4.7157 7.7224 115.1997 54.8720 33.7551 174.0202 42 Y 5.0440 8.4504 123.0027 57.0560 41.3467 173.9699 43 N 4.9988 8.7892 125.3426 51.6613 39.7652 176.2557 44 A 4.0596 9.2432 120.6448 55.2397 18.0924 179.7969 45 A 3.9773 7.9228 118.9144 55.1355 18.5468 179.5055 46 Q 4.0157 8.2668 117.8793 59.3789 29.1295 178.5780 47 G 3.8892 8.0682 106.1875 47.9647 0.0000 175.3771 48 D 4.4165 8.0511 120.3782 57.1269 40.8185 178.5815 49 I 4.0176 7.4163 120.1578 63.8251 37.3827 177.5349 50 T 4.5833 7.9915 107.5014 60.7247 69.5808 175.5396 51 G 3.9311 8.2518 109.7669 46.0045 0.0000 173.5360 52 R 4.3161 7.6360 117.9816 54.6264 31.4332 175.7605 53 D 4.5630 8.4241 121.7397 53.0801 42.0700 174.7633 54 P 4.1212 0.0000 0.0000 65.9949 31.1516 178.6521 55 K 3.9893 8.2067 115.2128 59.3103 32.0332 178.5704 56 Q 4.1819 7.8688 116.6505 57.3286 29.2387 177.5908 57 V 3.9675 7.3382 112.1264 60.7571 32.0529 176.0279 58 I 3.9525 7.0978 120.2899 62.6177 37.2944 176.0444 59 G 3.9735 8.9509 114.5911 45.2371 0.0000 173.9235 60 K 4.2172 7.8450 119.2254 55.6424 33.2310 175.1455 61 N 5.0202 8.8049 119.2280 52.2858 39.8417 175.7287 62 F 3.8628 9.0857 128.9122 61.1355 39.5868 177.0835 63 F 3.7660 7.5938 117.4135 59.0856 39.2007 176.5667 64 K 4.0761 8.2447 120.9517 58.0374 32.6128 176.6598 65 D 4.6202 7.8880 116.0811 55.7526 42.3365 177.8090 66 V 3.7229 7.4790 116.1876 64.4889 32.5841 175.8877 67 A 4.3195 7.2819 121.4681 49.3774 18.4298 174.6807 68 P 4.1653 0.0000 0.0000 64.6840 32.0387 179.4628 69 C 4.2332 7.7290 113.0188 60.5487 29.8953 174.2232 70 T 4.1462 7.7719 109.9538 62.0342 68.7608 174.1926 71 D 5.2322 7.7634 123.3931 53.1301 39.7029 174.8709 72 S 4.7792 8.0158 117.0558 56.0122 65.7033 174.6716 73 P 4.2260 0.0000 0.0000 65.7771 31.2301 178.6789 74 E 4.0597 8.2503 116.1549 58.1012 29.2572 175.8989 75 F 4.4491 7.2900 117.8953 58.3997 42.2842 175.6522 76 Y 4.1447 8.9263 120.2698 60.8811 38.9595 179.1414 77 G 3.5285 8.2638 107.8771 47.2385 0.0000 175.8560 78 K 4.2645 7.9277 121.8767 58.3326 31.9869 179.0950 79 F 4.1471 8.4890 121.3137 61.2634 39.4417 177.4159 80 K 3.6797 8.2840 118.6901 59.7798 32.3775 178.8582 81 E 3.9478 8.1819 119.9344 59.2328 29.3920 179.6233 82 G 3.5783 8.0447 105.7126 47.5451 0.0000 175.9752 83 V 3.1343 7.2525 119.8024 65.5763 31.5004 177.7576 84 A 4.0667 7.6182 119.6809 54.9419 18.3387 179.3157 85 S 4.3017 8.1733 111.6145 59.1555 63.5142 175.6569 86 G 3.9792 8.2998 109.8829 45.4202 0.0000 173.5374 87 N 4.8154 7.8021 117.5820 51.0146 39.0084 170.8938 88 L 4.5192 7.7430 122.8202 53.3109 44.3186 174.3689 89 N 5.2345 8.6742 121.5876 53.6915 40.4111 172.7870 90 T 4.8654 9.0430 119.7298 60.6467 71.6169 171.7259 91 M 5.4042 8.5501 125.8949 54.0177 35.4419 173.9897 92 F 4.9875 8.4995 118.5619 56.2978 41.7833 172.7631 93 E 5.0614 8.9185 119.0475 56.0274 31.2249 174.6745 94 Y 4.9269 8.7989 121.7859 57.1750 43.2706 173.1825 95 T 5.0011 7.9233 118.7072 61.7477 71.3854 173.5703 96 F 5.3611 9.1768 126.1510 55.9468 40.6872 176.4997 97 D 4.8019 8.7675 121.1092 53.3822 40.5263 173.9522 98 Y 4.5078 8.2761 121.1273 57.9052 39.1786 175.0244 99 Q 3.2277 8.2896 127.5067 56.1468 26.5386 173.1104 100 M 4.6048 7.4719 110.7680 54.1461 33.7501 174.2205 101 T 3.9723 8.3591 110.5286 60.9735 69.4157 172.3642 102 P 4.6684 0.0000 0.0000 63.4815 32.1562 175.8014 103 T 4.6432 8.9395 120.3198 61.6671 72.3342 173.3974 104 K 4.6388 8.6760 126.2170 56.3023 33.6910 176.5130 105 V 4.7848 8.7857 116.7251 59.5790 36.8151 173.9324 106 K 4.8046 8.7773 123.7521 54.8541 34.3223 175.1002 107 V 5.0029 8.5071 126.9037 61.2363 34.7423 173.4311 108 H 5.3054 9.4386 127.4796 54.7585 32.4535 171.9221 109 M 5.1474 9.0882 126.0577 53.7148 34.5002 175.1451 110 K 5.1265 8.9382 123.4942 54.5328 36.2887 175.1860 111 K 4.5140 8.8950 128.4691 56.5793 32.9949 176.3816 112 A 4.5624 8.6553 128.3108 51.5270 19.3218 178.3903 113 L 3.9411 8.8672 121.3340 58.2656 42.1772 178.6343 114 S 4.1958 7.9809 110.9113 59.1730 63.4376 175.0289 115 G 3.8948 8.3039 109.5673 45.4852 0.0000 173.3375 116 D 4.8259 7.5563 116.5747 52.3584 40.0676 175.0313 117 S 4.2458 6.6772 113.1450 57.7672 66.7605 172.2692 118 Y 4.8566 8.4661 117.1145 56.1254 42.1412 174.6145 119 W 5.0433 9.3283 123.6413 55.1199 31.9127 175.3583 120 V 4.6121 8.6926 123.4889 61.2306 33.5293 174.1083 121 F 5.7703 9.1794 127.2517 55.9159 41.8425 175.0025 122 V 5.3028 9.4622 122.4197 61.1890 35.0398 174.2797 123 K 4.9503 8.7147 125.1199 54.8564 36.2704 175.9197 124 R 4.4816 8.5414 120.0748 56.4399 31.0528 177.3016 125 V 3.9346 7.8833 113.9263 61.6712 32.3994 175.7211 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 4.49 0.00 1.93 2.00 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 2.61 2.42 0.00 2 E 8.69 3.89 0.00 1.89 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 2.21 2.54 0.00 3 H 8.71 4.56 0.00 3.09 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.73 4.32 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 0.80 0.00 0.00 0.89 0.00 0.00 5 A 8.34 4.63 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 6 F 8.50 2.98 0.00 2.37 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 7 G 7.57 3.55 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 0.00 0.00 0.00 8 S 7.34 4.17 0.00 3.81 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 9 E 8.82 4.02 0.00 1.92 2.00 0.00 0.00 0.00 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 2.23 0.00 10 D 7.68 4.97 0.00 2.84 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 11 I 7.56 3.55 1.71 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.00 0.77 0.00 0.00 12 E 8.10 4.02 0.00 2.41 2.32 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 2.42 2.43 0.00 13 N 7.97 4.39 0.00 2.89 2.92 0.00 0.00 7.02 6.99 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 14 T 7.74 4.01 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 1.17 0.00 0.00 15 L 8.05 4.05 0.00 1.54 1.37 0.75 0.10 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 16 A 7.62 4.26 1.43 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 0.00 0.00 0.00 17 K 7.70 4.21 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.71 7.81 18 M 7.33 4.54 0.00 2.04 2.11 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 2.76 2.44 0.00 19 D 8.26 4.82 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 20 D 8.60 4.50 0.00 2.93 3.01 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 21 G 8.08 3.65 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 0.00 0.00 0.00 22 Q 9.09 4.13 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 23 L 8.03 3.94 0.00 2.00 1.80 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.89 4.68 0.00 2.85 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 25 G 8.06 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 0.00 0.00 0.00 26 L 6.78 4.14 0.00 1.17 0.56 0.49 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.03 4.22 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 28 F 6.72 5.11 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 29 G 9.44 4.35 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 0.00 30 A 9.39 5.51 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.09 5.01 1.65 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.54 0.79 0.00 0.00 32 Q 8.83 4.51 0.00 1.26 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 33 L 8.93 5.32 0.00 1.75 1.60 0.38 0.74 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 34 D 8.71 5.20 0.00 3.00 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 35 G 8.81 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 36 D 8.56 4.73 0.00 2.90 2.83 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 37 G 8.75 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 0.00 0.00 0.00 0.00 38 N 8.62 4.88 0.00 3.08 2.75 0.00 0.00 7.02 7.48 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 39 I 8.66 4.42 2.00 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 1.23 0.75 0.98 0.00 0.00 40 L 9.06 4.29 0.00 1.42 1.64 0.78 0.84 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 41 Q 7.72 4.72 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 42 Y 8.45 5.04 0.00 2.93 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 43 N 8.79 5.00 0.00 3.04 2.98 0.00 0.00 6.47 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 44 A 9.24 4.06 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 45 A 7.92 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.27 4.02 0.00 2.03 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.44 2.12 0.00 47 G 8.07 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 48 D 8.05 4.42 0.00 2.91 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 49 I 7.42 4.02 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.67 1.07 0.00 0.00 50 T 7.99 4.58 4.35 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 1.45 0.00 0.00 51 G 8.25 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 0.00 0.00 0.00 52 R 7.64 4.32 0.00 1.91 1.70 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 53 D 8.42 4.56 0.00 2.70 2.51 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 54 P 0.00 4.12 0.00 2.27 2.57 0.00 3.71 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 55 K 8.21 3.99 0.00 1.83 1.87 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 56 Q 7.87 4.18 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 57 V 7.34 3.97 1.77 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 0.64 0.00 0.00 -0.01 0.00 0.00 58 I 7.10 3.95 1.85 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 1.38 0.59 0.96 0.00 0.00 59 G 8.95 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 0.00 0.00 0.00 60 K 7.84 4.22 0.00 1.91 1.68 0.00 1.57 0.00 0.00 1.51 0.00 0.00 3.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.31 7.81 61 N 8.80 5.02 0.00 2.71 2.72 0.00 0.00 7.25 7.32 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 62 F 9.09 3.86 0.00 2.70 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.59 3.77 0.00 2.51 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 0.00 0.00 0.00 0.00 64 K 8.24 4.08 0.00 1.67 1.75 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 65 D 7.89 4.62 0.00 2.71 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 66 V 7.48 3.72 1.80 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 0.66 0.00 0.00 0.86 0.00 0.00 67 A 7.28 4.32 -0.13 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 0.00 0.00 68 P 0.00 4.17 0.00 1.85 1.90 0.00 3.19 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.44 0.00 69 C 7.73 4.23 0.00 3.23 3.16 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 70 T 7.77 4.15 2.92 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 0.59 0.00 0.00 71 D 7.76 5.23 0.00 2.75 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 72 S 8.02 4.78 0.00 4.31 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 73 P 0.00 4.23 0.00 2.21 2.13 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 74 E 8.25 4.06 0.00 2.21 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 2.40 2.37 0.00 75 F 7.29 4.45 0.00 2.79 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 76 Y 8.93 4.14 0.00 2.90 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 77 G 8.26 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.93 4.26 0.00 1.94 1.86 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.29 7.81 79 F 8.49 4.15 0.00 3.36 3.27 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 80 K 8.28 3.68 0.00 1.84 1.76 0.00 1.10 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.02 1.57 7.81 81 E 8.18 3.95 0.00 2.14 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 2.26 2.37 0.00 82 G 8.04 3.58 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 0.00 0.00 0.00 83 V 7.25 3.13 1.69 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 0.57 0.00 0.00 -0.76 0.00 0.00 84 A 7.62 4.07 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 85 S 8.17 4.30 0.00 4.00 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 0.00 86 G 8.30 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 0.00 0.00 0.00 87 N 7.80 4.82 0.00 2.67 2.68 0.00 0.00 6.94 7.80 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 88 L 7.74 4.52 0.00 1.78 1.64 0.96 0.57 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 89 N 8.67 5.23 0.00 2.76 2.72 0.00 0.00 6.93 7.70 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 90 T 9.04 4.87 4.33 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 1.40 0.00 0.00 91 M 8.55 5.40 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 92 F 8.50 4.99 0.00 3.18 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 93 E 8.92 5.06 0.00 1.97 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 2.26 2.34 0.00 94 Y 8.80 4.93 0.00 3.31 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 95 T 7.92 5.00 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 1.30 0.00 0.00 96 F 9.18 5.36 0.00 3.03 2.92 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 97 D 8.77 4.80 0.00 2.79 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 98 Y 8.28 4.51 0.00 2.81 2.90 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 99 Q 8.29 3.23 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 100 M 7.47 4.60 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.77 0.00 101 T 8.36 3.97 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 0.00 102 P 0.00 4.67 0.00 1.99 2.09 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 103 T 8.94 4.64 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 1.25 0.00 0.00 104 K 8.68 4.64 0.00 1.69 1.69 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.46 7.81 105 V 8.79 4.78 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 0.46 0.00 0.00 0.23 0.00 0.00 106 K 8.78 4.80 0.00 1.66 1.35 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.50 1.36 7.81 107 V 8.51 5.00 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 0.53 0.00 0.00 0.91 0.00 0.00 108 H 9.44 5.31 0.00 2.84 2.91 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.09 5.15 0.00 2.17 2.09 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 2.55 2.55 0.00 110 K 8.94 5.13 0.00 1.73 1.75 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 111 K 8.90 4.51 0.00 1.98 1.79 0.00 1.99 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 112 A 8.66 4.56 1.13 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 0.00 0.00 113 L 8.87 3.94 0.00 1.82 1.80 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.98 4.20 0.00 3.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.30 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 0.00 116 D 7.56 4.83 0.00 2.67 2.66 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 0.00 117 S 6.68 4.25 0.00 3.64 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 0.00 118 Y 8.47 4.86 0.00 3.32 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 0.00 119 W 9.33 5.04 0.00 2.90 1.76 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 0.00 120 V 8.69 4.61 1.90 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 1.20 0.00 0.00 0.86 0.00 0.00 121 F 9.18 5.77 0.00 2.93 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 0.00 122 V 9.46 5.30 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 1.17 0.00 0.00 1.25 0.00 0.00 123 K 8.71 4.95 0.00 1.59 1.46 0.00 1.00 0.00 0.00 0.79 0.00 0.00 2.16 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.92 7.81 124 R 8.54 4.48 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 125 V 7.88 3.93 2.03 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 0.58 0.00 0.00 0.92 0.00 0.00