NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5974 0.0000 0.0000 62.5033 34.1040 174.1585 3 V 4.9921 8.5133 121.5660 60.3669 34.4586 174.7176 4 Q 4.6485 8.9858 123.7351 54.5847 32.7457 172.9692 5 H 4.6003 8.7548 121.4751 54.9310 30.7049 175.7855 6 V 4.1899 8.0860 122.5776 60.6770 31.8084 172.4280 7 G 3.6001 8.1240 116.1198 45.7109 0.0000 175.9743 8 G 4.2892 8.7663 116.5120 46.5538 0.0000 173.7812 9 T 4.6491 8.6228 114.9470 61.4250 71.4954 172.2206 10 Y 5.2876 8.4868 120.7181 56.6193 40.7090 175.0295 11 T 4.8013 8.9407 113.4268 60.1172 73.0458 171.9601 12 H 5.1665 8.7090 120.7492 55.5565 31.1600 174.2402 13 I 4.6568 8.2939 124.5934 58.3832 40.3778 173.4121 14 P 4.5992 0.0000 0.0000 62.2217 32.0031 176.0824 15 L 4.1245 8.2643 119.8563 54.3612 42.3841 178.1038 16 S 4.2413 8.5554 117.4927 58.1959 64.7020 173.6155 17 P 4.2583 0.0000 0.0000 66.2588 31.1442 179.1623 18 R 3.9881 7.9780 116.0688 59.3522 29.9925 179.1600 19 T 3.8691 8.0910 115.7661 66.6092 68.4475 176.3881 20 L 4.1047 7.8267 120.8914 58.3551 41.7523 179.5724 21 N 4.3843 8.4003 115.7423 56.1732 38.4267 177.2731 22 A 4.0426 8.1850 122.2758 54.9593 18.4642 179.4134 23 W 4.4162 8.3600 126.8479 60.5915 30.6553 178.4813 24 V 3.1198 7.5730 117.7402 65.8596 30.7430 177.8589 25 K 3.7205 8.3554 118.6340 59.7610 31.6707 178.9070 26 L 3.9188 7.4670 119.2302 57.8828 42.2914 178.9562 27 V 2.9398 7.0448 118.1245 65.7235 31.2276 177.5034 28 E 4.1291 7.7439 115.2070 57.3375 29.3848 178.3615 29 E 4.0562 7.4268 118.7554 58.6977 29.9505 177.3668 30 K 4.4235 7.4148 113.0691 55.1449 33.6650 174.9789 31 K 3.6792 7.8897 120.4434 57.9979 28.4481 175.3031 32 F 3.3517 7.8570 124.9294 57.9875 37.4161 175.7450 33 G 3.8074 7.4789 108.3670 44.7152 0.0000 173.8705 34 A 4.0314 8.7683 121.1154 55.3500 18.0762 179.4001 35 E 4.1216 8.1174 114.1978 58.5590 29.5914 179.2821 36 V 3.7860 7.8383 114.2006 64.3568 31.4410 178.0309 37 V 3.7738 7.7207 119.1881 65.0289 31.4584 175.8854 38 P 4.3663 0.0000 0.0000 66.1867 30.9928 178.3433 39 G 3.7906 8.3086 105.4014 47.5994 0.0000 175.4254 40 F 3.8379 8.7996 123.4921 60.7067 39.1441 177.0922 41 Q 3.9139 8.2555 116.9747 58.9994 28.9229 178.6868 42 A 4.0661 7.9476 121.1988 55.3213 18.3748 179.5605 43 L 4.1263 7.7077 115.0581 56.1700 41.3689 178.0933 44 S 4.3092 6.9267 113.6442 57.3220 63.1027 173.3251 45 E 3.8922 7.5182 121.7234 58.3342 29.4684 177.2935 46 G 3.9657 8.8589 113.1562 45.8971 0.0000 173.2124 47 C 4.3095 7.4657 117.7042 59.5090 28.9378 173.6492 48 T 4.6140 8.2302 112.7883 60.1939 70.0279 173.8593 49 P 4.4760 0.0000 0.0000 66.4435 31.0125 178.0734 50 Y 4.0935 8.2923 116.6480 60.7970 39.0152 177.9296 51 D 4.3613 8.1970 119.6548 57.5148 41.2070 178.5135 52 I 3.6476 7.8773 119.7523 64.8147 37.0585 178.0630 53 N 4.5080 8.5163 117.0611 56.2625 38.0952 177.5126 54 Q 3.9726 7.4817 118.5991 59.0315 28.9344 178.3886 55 M 4.3260 7.7900 119.4271 58.3126 31.9230 178.5466 56 L 4.2715 7.9427 118.8254 58.0099 41.6672 179.0938 57 N 4.6184 8.0899 114.3027 55.4877 38.5740 176.7077 58 C 4.4634 7.9081 117.6006 61.3505 28.5719 174.5691 59 V 4.4720 7.6555 113.3890 60.9706 31.6486 178.1400 60 G 3.7450 8.2598 111.5572 48.3105 0.0000 174.9235 61 D 4.6410 8.1400 117.2404 54.1673 40.2716 176.8110 62 H 4.9628 7.9600 118.2917 55.2384 28.1542 175.6919 63 Q 4.1489 7.8640 119.6714 58.2344 29.0399 178.6355 64 A 3.9333 7.9832 121.8482 55.2027 18.6009 179.3847 65 A 3.8075 7.9745 118.8455 55.1493 18.2366 179.5439 66 M 3.9994 7.9231 116.9271 58.8821 32.2110 179.0121 67 Q 3.8979 7.9279 117.5089 58.9321 28.6069 178.9842 68 I 3.6922 7.5474 119.9858 64.4003 37.4567 178.2634 69 I 3.7790 8.3272 120.8396 64.4043 36.9264 178.1141 70 R 3.9325 8.7430 120.0610 59.9355 29.8107 178.0659 71 E 3.9260 8.1758 118.4025 59.1966 29.5692 178.9310 72 I 3.6926 7.8540 120.1208 64.0726 37.1635 178.2538 73 I 3.6455 7.7262 120.1810 64.5653 37.0368 177.8458 74 N 4.2482 8.3821 117.4380 56.4099 38.3907 177.2535 75 E 3.8475 7.9743 119.6445 59.3917 29.5672 179.2671 76 E 3.4791 8.1006 118.4556 59.2810 29.3905 179.4939 77 A 3.9173 7.6211 120.3942 54.5594 18.3812 179.6470 78 A 3.8869 7.8530 119.8533 55.4801 18.4069 179.5298 79 E 3.9733 8.1657 117.6663 58.7429 29.5541 178.7734 80 W 4.1736 8.4530 128.9580 60.2602 30.5583 177.5496 81 D 4.4645 8.0466 118.0155 57.5368 40.4246 178.5209 82 V 3.7145 7.3205 116.4757 66.4770 31.5533 177.7887 83 Q 4.2453 7.6053 115.9421 56.9823 29.1184 175.6073 84 H 4.5010 7.7507 117.5687 52.7517 28.6350 171.7867 85 P 4.3785 0.0000 0.0000 61.7215 32.0914 176.7998 86 I 3.7456 8.2087 121.0695 60.8604 38.4337 173.4553 87 P 4.4546 0.0000 0.0000 61.6141 32.0200 176.2653 88 A 4.0000 8.3744 126.3394 53.4339 19.1623 178.0948 89 G 4.0772 8.8850 107.2566 44.8028 0.0000 172.6919 90 P 4.1783 0.0000 0.0000 63.1278 31.5703 173.9027 91 L 3.4953 7.6091 123.0231 54.1454 41.8737 172.2247 92 P 4.2105 0.0000 0.0000 62.6146 30.0355 173.9269 93 A 4.2804 8.4002 123.6460 53.4217 17.5838 177.7886 94 G 4.9951 8.1048 122.1435 47.7964 0.0000 171.3029 95 Q 4.4253 7.3906 120.9093 55.2132 30.0774 174.3038 96 L 4.7559 8.1771 118.9454 53.1471 44.4897 177.2211 97 R 4.3000 8.4212 120.6710 55.6415 30.3451 176.3879 98 E 4.1936 8.7035 119.7552 56.0267 30.1437 174.6968 99 P 4.4222 0.0000 0.0000 61.7370 32.6360 176.8124 100 R 4.5456 9.2035 121.7989 55.3336 32.2516 178.0458 101 G 3.7799 8.6630 106.0664 48.1316 0.0000 176.0864 102 S 4.2473 8.0975 115.5025 60.8425 63.1744 176.2284 103 D 4.4755 7.7191 123.9582 56.8888 40.5067 178.3592 104 I 3.4212 7.4326 118.4060 62.9309 37.0295 177.1891 105 A 2.5800 6.8969 119.2675 50.8799 19.3892 177.8719 106 G 3.9081 7.3804 105.9831 45.3710 0.0000 175.1680 107 T 4.0314 7.5840 116.4301 66.1655 68.2602 175.3192 108 T 4.6526 7.9651 108.2776 60.8203 69.5730 172.9758 109 S 4.9968 7.8246 115.8921 56.3512 65.9840 174.4690 110 T 4.2258 8.8216 114.5611 61.1138 70.9424 176.3272 111 V 3.7721 8.0062 122.1399 64.9300 31.1613 178.2350 112 E 3.8200 7.9733 118.6496 59.3033 29.4634 178.7908 113 E 3.6394 7.3703 118.9060 58.8277 29.2973 179.5130 114 Q 4.1990 7.8117 117.6734 59.0488 28.7427 179.2119 115 I 3.7713 8.1374 121.0558 64.6158 37.1927 178.6054 116 Q 4.0067 8.0941 118.5566 58.0087 28.3522 178.2441 117 W 4.7014 7.7610 119.0855 58.5855 29.2974 178.3514 118 M 3.9825 7.4589 118.0977 56.6433 32.5258 176.6737 119 F 4.8772 7.8879 115.8446 56.3209 39.6733 174.4067 120 R 4.7314 7.5736 115.9859 54.0281 32.0057 175.0589 121 P 4.3845 0.0000 0.0000 64.4163 31.8253 176.4724 122 Q 4.3676 8.0444 117.0696 54.9770 29.1986 175.1448 123 N 4.0914 8.7394 116.2969 53.6997 35.5167 171.6070 124 P 4.5088 0.0000 0.0000 62.1121 32.6920 176.8182 125 V 4.2572 8.2713 121.5816 60.7694 33.1254 175.7251 126 P 4.4696 0.0000 0.0000 61.4243 27.9536 176.6947 127 V 3.3343 7.5696 118.9974 65.2842 32.0620 177.9649 128 G 4.0675 7.9357 105.9004 47.4173 0.0000 174.9574 129 N 4.4038 7.9064 117.7032 55.3592 38.8783 177.5798 130 I 3.5472 7.7820 121.9407 64.1983 37.0518 177.7995 131 Y 3.6467 8.1817 120.7105 60.6437 38.6607 177.8873 132 R 4.0443 8.0117 119.0485 59.6593 29.9585 178.9853 133 R 4.1790 7.4454 116.2373 57.9626 30.3833 178.7346 134 W 4.5597 7.6342 118.0262 59.6329 29.4409 178.2789 135 I 3.4983 7.6867 119.7034 64.7538 36.4242 178.1568 136 Q 4.0489 8.0889 119.8477 59.1791 28.7626 178.5816 137 I 4.2459 7.4185 122.5238 63.5947 37.0611 178.5756 138 G 3.5465 7.9597 106.0938 47.8183 0.0000 175.6079 139 L 3.9648 8.3906 122.2065 57.4599 41.5074 179.3352 140 Q 4.0044 8.3183 118.3490 59.0728 28.5928 179.4653 141 K 3.9245 7.9638 120.1806 59.7578 32.2563 178.3756 142 C 3.8928 8.6633 117.9859 62.9919 27.7629 176.4676 143 V 3.7594 7.8244 118.6085 66.2713 31.2407 178.0730 144 R 4.1078 7.6401 115.8242 59.5098 30.0196 178.5975 145 M 4.2794 8.2763 117.4999 57.7149 32.1820 176.0718 146 Y 4.0326 8.3146 121.0325 58.2314 38.0087 175.7284 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 2 P 0.00 4.60 0.00 2.09 2.16 0.00 3.47 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 1.98 2.07 0.00 3 V 8.51 4.99 2.23 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 0.94 0.00 0.00 1.17 0.00 0.00 4 Q 8.99 4.65 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 5 H 8.75 4.60 0.00 2.94 3.10 0.00 5.70 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 6 V 8.09 4.19 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 0.68 0.00 0.00 0.89 0.00 0.00 7 G 8.12 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 0.00 0.00 0.00 8 G 8.77 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 0.00 0.00 0.00 0.00 9 T 8.62 4.65 4.15 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 0.00 0.00 1.22 0.00 0.00 10 Y 8.49 5.29 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 T 8.94 4.80 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 1.21 0.00 0.00 12 H 8.71 5.17 0.00 3.12 3.21 0.00 5.87 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 13 I 8.29 4.66 1.84 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 1.26 1.04 0.89 0.00 0.00 14 P 0.00 4.60 0.00 2.29 2.19 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 15 L 8.26 4.12 0.00 1.66 1.64 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.56 4.24 0.00 4.05 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 17 P 0.00 4.26 0.00 2.19 2.18 0.00 3.61 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 2.22 0.00 18 R 7.98 3.99 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 19 T 8.09 3.87 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 1.19 0.00 0.00 20 L 7.83 4.10 0.00 1.95 1.83 0.95 0.78 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 21 N 8.40 4.38 0.00 2.90 2.88 0.00 0.00 6.96 6.77 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 22 A 8.19 4.04 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 23 W 8.36 4.42 0.00 3.36 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 24 V 7.57 3.12 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 0.96 0.00 0.00 0.93 0.00 0.00 25 K 8.36 3.72 0.00 1.85 1.83 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.61 7.81 26 L 7.47 3.92 0.00 1.81 1.75 1.03 1.13 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 27 V 7.04 2.94 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 -0.14 0.00 0.00 -0.74 0.00 0.00 28 E 7.74 4.13 0.00 1.88 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 2.30 2.39 0.00 29 E 7.43 4.06 0.00 2.07 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 2.36 0.00 30 K 7.41 4.42 0.00 1.71 1.77 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.34 7.81 31 K 7.89 3.68 0.00 2.00 2.11 0.00 2.00 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.53 7.81 32 F 7.86 3.35 0.00 2.30 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 33 G 7.48 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 0.00 0.00 0.00 34 A 8.77 4.03 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 35 E 8.12 4.12 0.00 2.18 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 0.00 2.32 2.32 0.00 36 V 7.84 3.79 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 0.32 0.00 0.00 1.09 0.00 0.00 37 V 7.72 3.77 2.24 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 1.19 0.00 0.00 1.02 0.00 0.00 38 P 0.00 4.37 0.00 2.34 2.35 0.00 4.00 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 2.26 2.09 0.00 39 G 8.31 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 0.00 0.00 0.00 40 F 8.80 3.84 0.00 3.22 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 41 Q 8.26 3.91 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 42 A 7.95 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 43 L 7.71 4.13 0.00 1.41 1.59 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 S 6.93 4.31 0.00 3.22 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 45 E 7.52 3.89 0.00 1.88 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 2.29 2.38 0.00 46 G 8.86 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 0.00 0.00 0.00 47 C 7.47 4.31 0.00 3.05 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 48 T 8.23 4.61 4.47 0.00 0.00 0.00 0.00 0.00 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 49 P 0.00 4.48 0.00 2.34 2.03 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 50 Y 8.29 4.09 0.00 3.01 3.08 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 51 D 8.20 4.36 0.00 3.02 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 52 I 7.88 3.65 2.16 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 1.05 0.75 0.00 0.00 53 N 8.52 4.51 0.00 2.86 2.88 0.00 0.00 7.02 6.93 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 54 Q 7.48 3.97 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 55 M 7.79 4.33 0.00 1.35 2.12 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.38 0.00 56 L 7.94 4.27 0.00 1.96 1.82 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.09 4.62 0.00 2.75 2.91 0.00 0.00 7.12 7.72 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 58 C 7.91 4.46 0.00 3.34 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 59 V 7.66 4.47 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 0.38 0.00 0.00 1.25 0.00 0.00 60 G 8.26 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 61 D 8.14 4.64 0.00 2.78 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 62 H 7.96 4.96 0.00 3.62 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.86 4.15 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 64 A 7.98 3.93 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 65 A 7.97 3.81 0.36 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 66 M 7.92 4.00 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.99 0.00 67 Q 7.93 3.90 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 68 I 7.55 3.69 1.95 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 1.51 0.59 0.90 0.00 0.00 69 I 8.33 3.78 2.07 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 1.35 0.74 0.90 0.00 0.00 70 R 8.74 3.93 0.00 1.98 1.97 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 71 E 8.18 3.93 0.00 2.10 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 2.28 2.33 0.00 72 I 7.85 3.69 2.00 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 1.67 0.60 0.89 0.00 0.00 73 I 7.73 3.65 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.92 1.20 0.00 0.00 74 N 8.38 4.25 0.00 2.82 2.85 0.00 0.00 7.11 7.55 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 75 E 7.97 3.85 0.00 2.07 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 0.00 2.27 2.47 0.00 76 E 8.10 3.48 0.00 1.16 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 0.00 0.00 0.00 2.06 1.77 0.00 77 A 7.62 3.92 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 78 A 7.85 3.89 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 79 E 8.17 3.97 0.00 2.07 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 2.30 2.38 0.00 80 W 8.45 4.17 0.00 3.66 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 81 D 8.05 4.46 0.00 3.06 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 82 V 7.32 3.71 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 0.79 0.00 0.00 0.98 0.00 0.00 83 Q 7.61 4.25 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 84 H 7.75 4.50 0.00 2.66 3.02 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.38 0.00 2.15 2.01 0.00 3.70 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 1.93 1.89 0.00 86 I 8.21 3.75 1.89 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 1.44 0.85 0.92 0.00 0.00 87 P 0.00 4.45 0.00 2.10 1.98 0.00 3.76 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 2.09 0.00 88 A 8.37 4.00 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 89 G 8.88 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 90 P 0.00 4.18 0.00 2.06 2.17 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 91 L 7.61 3.50 0.00 1.89 1.75 0.95 1.36 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 92 P 0.00 4.21 0.00 2.21 2.10 0.00 3.62 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 2.14 2.12 0.00 93 A 8.40 4.28 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 94 G 8.10 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.39 4.43 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 96 L 8.18 4.76 0.00 1.51 1.57 0.78 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.42 4.30 0.00 2.10 2.03 0.00 3.25 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.07 0.00 98 E 8.70 4.19 0.00 2.02 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 2.37 2.27 0.00 99 P 0.00 4.42 0.00 1.21 0.49 0.00 3.62 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.00 100 R 9.20 4.55 0.00 1.85 1.98 0.00 3.36 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 1.90 1.85 0.00 101 G 8.66 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 0.00 0.00 0.00 102 S 8.10 4.25 0.00 4.09 4.17 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 D 7.72 4.48 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.43 3.42 0.95 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 0.71 0.07 0.08 0.00 0.00 105 A 6.90 2.58 1.32 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 0.00 0.00 106 G 7.38 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 0.00 107 T 7.58 4.03 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 1.24 0.00 0.00 108 T 7.97 4.65 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 1.25 0.00 0.00 109 S 7.82 5.00 0.00 4.06 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 0.00 110 T 8.82 4.23 4.28 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 1.16 0.00 0.00 111 V 8.01 3.77 1.65 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 0.51 0.00 0.00 0.83 0.00 0.00 112 E 7.97 3.82 0.00 1.94 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 2.32 2.40 0.00 113 E 7.37 3.64 0.00 1.87 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 0.00 0.00 0.00 1.98 1.99 0.00 114 Q 7.81 4.20 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 115 I 8.14 3.77 2.02 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 1.63 0.91 1.04 0.00 0.00 116 Q 8.09 4.01 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 117 W 7.76 4.70 0.00 3.41 2.97 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 0.00 118 M 7.46 3.98 0.00 1.01 1.90 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.34 0.00 119 F 7.89 4.88 0.00 2.26 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 0.00 0.00 0.00 120 R 7.57 4.73 0.00 1.94 2.13 0.00 3.10 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 121 P 0.00 4.38 0.00 2.11 2.20 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 122 Q 8.04 4.37 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.40 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 123 N 8.74 4.09 0.00 2.81 2.81 0.00 0.00 7.21 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 0.00 124 P 0.00 4.51 0.00 2.10 2.22 0.00 3.75 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 1.95 0.00 125 V 8.27 4.26 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 0.87 0.00 0.00 0.90 0.00 0.00 126 P 0.00 4.47 0.00 2.21 2.11 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 127 V 7.57 3.33 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 0.53 0.00 0.00 1.00 0.00 0.00 128 G 7.94 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.91 4.40 0.00 2.75 2.82 0.00 0.00 7.13 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 0.00 130 I 7.78 3.55 1.49 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.13 0.25 0.00 0.00 131 Y 8.18 3.65 0.00 2.71 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 0.00 132 R 8.01 4.04 0.00 2.03 2.06 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.00 133 R 7.45 4.18 0.00 2.00 2.12 0.00 3.23 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 134 W 7.63 4.56 0.00 3.55 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 0.00 135 I 7.69 3.50 1.37 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.31 -0.15 0.00 0.00 136 Q 8.09 4.05 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 137 I 7.42 4.25 2.04 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 1.44 1.61 0.91 0.00 0.00 138 G 7.96 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 0.00 139 L 8.39 3.96 0.00 1.62 1.78 0.59 1.18 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 0.00 140 Q 8.32 4.00 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 141 K 7.96 3.92 0.00 2.06 1.92 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 142 C 8.66 3.89 0.00 2.95 2.33 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 0.00 143 V 7.82 3.76 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 0.89 0.00 0.00 1.00 0.00 0.00 144 R 7.64 4.11 0.00 1.88 1.99 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 145 M 8.28 4.28 0.00 1.99 2.27 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 2.64 2.58 0.00 146 Y 8.31 4.03 0.00 3.06 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