NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4348 8.3044 118.1941 55.0047 32.5720 174.1726 1 V 4.2587 8.1092 119.8348 60.5927 34.1073 173.4409 2 L 4.4649 8.2299 127.0196 53.5248 43.9377 176.8873 3 S 4.4948 8.6804 117.7984 57.8631 65.2048 175.2030 4 E 4.3184 8.8455 122.6748 59.4717 29.0991 179.1763 5 G 3.5991 8.0837 105.4794 47.5743 0.0000 175.5277 6 E 3.9972 7.9692 120.4790 59.0160 29.4859 179.2485 7 W 4.3555 8.0207 118.9791 59.7507 28.7693 177.5869 8 Q 4.5455 8.4653 116.3751 56.2613 28.0917 177.4856 9 L 4.3352 7.4744 121.6116 56.9685 42.2340 178.9847 10 V 3.7070 7.7608 118.0979 66.3250 31.6049 178.1960 11 L 4.2492 8.6883 118.5995 57.3904 40.9394 179.1225 12 H 4.2251 8.0184 117.6024 59.4037 29.8884 177.5009 13 V 3.3986 7.8418 119.7564 65.5818 31.2692 177.6774 14 W 3.9732 8.6909 128.2581 60.3603 30.2391 177.7514 15 A 3.9395 7.9508 119.9770 54.8378 18.0181 179.5523 16 K 3.9276 7.2795 116.9141 59.3726 32.1967 179.4335 17 V 2.8652 7.0812 118.4804 65.9414 31.0369 177.6726 18 E 3.9098 7.5769 115.4151 58.0247 29.2503 178.5839 19 A 4.2151 7.5660 120.9495 53.7338 19.9978 177.3457 20 D 4.6305 7.9132 116.6073 51.6972 41.7615 175.6007 21 V 3.5010 7.8737 122.6502 65.3583 32.0365 176.8529 22 A 4.0758 7.9779 120.3115 54.9620 18.3409 179.5887 23 G 3.9920 8.1378 105.0923 47.9132 0.0000 175.5051 24 H 4.1918 8.3613 119.0898 58.1758 28.6596 178.1531 25 G 3.7000 8.4842 108.0524 47.8905 0.0000 175.7097 26 Q 4.0018 8.1313 120.6414 58.7474 28.7672 178.5440 27 D 4.3284 8.0635 119.7124 57.5540 40.8454 179.0574 28 I 3.5412 7.8034 120.0667 64.5398 37.1263 178.6373 29 F 3.1858 8.1360 118.4325 60.0129 38.6322 177.9876 30 I 3.7436 7.7766 119.6758 64.1727 36.8305 178.3439 31 R 3.7727 7.7931 119.5987 59.2502 29.8259 178.3315 32 L 3.8569 7.7185 120.0559 58.3378 41.5764 179.0592 33 F 4.6752 8.3117 117.9548 60.3544 38.5496 177.9967 34 K 4.0559 8.4192 118.0630 59.5881 32.0702 179.3546 35 S 4.2908 8.0231 114.2975 60.5108 64.0653 174.6057 36 H 4.8142 8.4119 119.0310 52.0530 29.7463 171.8661 37 P 4.5426 0.0000 0.0000 64.8372 31.2443 178.2823 38 E 4.0844 8.2187 117.4589 59.5068 29.3898 179.0551 39 T 3.8251 8.2917 111.2771 64.4543 68.7822 176.2594 40 L 3.7554 7.9369 123.1887 57.9807 41.7531 178.7386 41 E 4.0721 7.9302 117.4497 59.0495 29.4444 178.8124 42 K 4.4242 8.0482 116.8248 56.7188 32.6141 176.7980 43 F 4.4493 8.0257 119.2322 55.3976 39.0473 176.0038 44 D 4.3751 8.5398 126.8631 57.1539 40.9003 178.5783 45 R 3.8120 7.6956 118.1755 58.2207 30.3262 176.6335 46 F 5.0866 7.7466 113.7143 56.7045 40.3062 176.9356 47 K 3.9414 8.2521 120.9917 59.5691 31.9006 177.6123 48 H 4.4470 8.1453 112.1708 56.7392 29.0427 175.5703 49 L 4.1112 7.5024 121.7723 55.0142 41.7399 176.9116 50 K 4.3153 9.4914 123.3734 57.3835 33.4268 176.8025 51 T 4.7507 7.3075 107.5510 58.9498 73.2753 174.2323 52 E 3.9687 8.6331 120.3872 59.0244 29.6115 178.3331 53 A 3.9811 7.9605 120.6441 55.3350 18.2886 179.3427 54 E 3.9722 7.8799 115.4005 59.6338 29.7732 179.2131 55 M 4.1771 7.9676 118.9517 58.3846 31.8170 178.9754 56 K 3.9987 8.2724 117.7083 59.0334 32.2893 178.6519 57 A 4.3406 7.6309 119.1372 52.2021 19.0595 177.2741 58 S 4.2363 7.3633 113.5404 57.7721 62.9615 174.4947 59 E 4.0682 8.8135 128.6387 58.9469 29.5274 178.1671 60 D 4.4318 8.0835 118.8264 57.2824 40.9593 178.2393 61 L 3.1785 7.8519 120.7780 57.5852 42.0911 178.7557 62 K 3.8008 7.7384 119.1173 59.5762 32.1196 178.8541 63 K 3.9938 8.1487 118.6220 59.7164 31.8712 178.8266 64 H 4.2831 8.4242 118.6707 59.1912 29.6862 177.5035 65 G 3.6424 8.1201 107.6928 47.7326 0.0000 175.8317 66 V 3.6143 7.6833 120.0375 66.0785 31.6086 178.1783 67 T 3.8748 7.8313 115.4418 66.7280 68.3110 176.4420 68 V 3.6561 7.9945 120.1360 66.3591 31.5339 178.1149 69 L 4.2551 8.4611 118.7798 57.9926 41.4494 179.7947 70 T 3.9558 8.3110 115.7732 66.5833 68.3452 176.4720 71 A 3.9917 8.0955 122.6079 55.2205 18.4038 179.5002 72 L 3.7911 8.1871 119.0186 58.0607 42.1058 179.4376 73 G 3.3623 8.5313 105.9450 47.4746 0.0000 175.6280 74 A 4.0436 7.8115 122.3414 54.8362 18.6091 179.6871 75 I 3.7918 7.3664 118.0833 64.6417 37.3063 178.5244 76 L 3.9968 7.9166 120.1485 57.8328 41.1959 179.6749 77 K 4.0226 7.7338 116.6668 58.3832 32.3385 178.8051 78 K 3.9851 7.8561 118.4849 56.2153 31.9563 177.1644 79 K 2.0000 8.2338 117.5432 56.5569 29.8158 176.3232 80 G 3.9857 8.1960 106.7740 45.7388 0.0000 174.7223 81 H 4.9167 7.5974 118.3564 54.7353 27.7255 174.7519 82 H 5.4737 7.1670 110.3395 54.3438 29.6756 176.2525 83 E 4.0078 8.5622 121.9918 60.2682 28.9542 178.9671 84 A 4.0275 7.8925 118.8838 55.2998 17.9405 179.1006 85 E 4.0823 8.1726 116.6552 59.4055 29.5249 179.1691 86 L 4.2235 8.2116 120.4975 57.5626 42.0931 178.8115 87 K 3.9051 7.8753 119.1321 59.2244 32.0532 177.3976 88 P 4.3114 0.0000 0.0000 65.5849 31.3052 178.2074 89 L 4.0050 7.5435 116.8610 57.8772 41.9858 178.6092 90 A 4.2075 8.4462 121.2124 55.3713 18.2663 179.3383 91 Q 3.8975 8.2897 118.1857 59.4652 29.1188 178.7597 92 S 4.0161 8.3482 115.3732 61.7166 63.0476 176.0491 93 H 4.2893 8.7221 119.4748 57.9095 28.2430 177.6550 94 A 2.6507 7.9374 122.5173 54.4052 18.4816 178.6278 95 T 3.9696 7.5282 109.3892 63.0350 68.2879 175.6944 96 K 3.9935 7.5208 120.7473 59.0945 32.6860 177.3575 97 H 4.2845 8.1276 115.3122 56.1615 29.4786 175.5946 98 K 3.2095 7.4699 117.3879 56.9967 28.5359 174.9543 99 I 4.3343 7.8715 118.5765 58.5035 38.3615 174.8127 100 P 4.5517 0.0000 0.0000 62.4203 32.0456 177.3584 101 I 3.6239 8.4640 121.6374 64.6982 36.9658 178.3639 102 K 3.5331 8.0524 119.6746 60.1283 31.7975 178.0315 103 Y 4.2434 7.9150 116.3173 60.6805 37.8250 178.1385 104 L 4.2259 7.8369 119.9050 57.5271 41.7972 178.9666 105 E 3.9738 8.1907 118.8485 59.4035 29.3840 179.3245 106 F 4.4823 7.6710 117.7425 60.8320 38.9288 177.6388 107 I 3.8035 8.0786 117.8982 63.6481 37.6446 178.0557 108 S 4.1431 8.0824 116.3975 61.5692 62.6256 176.0771 109 E 3.9703 8.3649 121.7306 59.3082 29.3732 178.7193 110 A 3.9718 7.9805 120.7670 55.1425 18.3203 179.7363 111 I 3.6553 8.0362 118.4811 64.5729 37.1681 178.6852 112 I 3.8381 8.0197 120.7795 64.6807 36.9994 177.8911 113 H 4.0659 8.4553 119.1108 59.3237 29.6036 177.5172 114 V 3.5490 7.9368 119.9086 66.0477 31.3273 178.0249 115 L 3.7425 7.9677 118.9758 57.7918 40.9989 179.0276 116 H 4.3313 7.9683 117.6715 59.3640 29.8982 177.3163 117 S 4.1778 7.8504 115.9633 61.5756 62.7942 176.3963 118 R 4.0793 7.9291 119.4191 57.5062 31.4829 176.6216 119 H 5.0189 8.1785 115.0456 53.7517 29.3817 172.6590 120 P 4.3259 0.0000 0.0000 65.7757 31.8854 179.6931 121 G 3.6326 8.1690 106.8624 47.6488 0.0000 173.6900 122 N 4.9693 8.1418 114.7683 52.9179 39.4098 174.9834 123 F 4.9596 7.8735 119.3350 56.3038 39.5611 174.0168 124 G 3.8988 7.7478 109.2822 43.9642 0.0000 172.1605 125 A 3.8848 8.3971 120.6910 55.3829 18.2789 179.5968 126 D 4.1843 7.9669 116.5510 57.4576 40.8776 178.7828 127 A 3.9378 7.7419 120.8051 55.0606 18.4743 179.3197 128 Q 2.9370 7.8621 118.6179 58.7676 28.9657 178.6418 129 G 3.5454 8.2027 106.9657 47.5152 0.0000 175.6083 130 A 3.8217 7.8601 123.0991 55.1109 18.4720 179.3526 131 M 3.9534 8.1821 117.0126 58.7386 32.2424 177.7846 132 N 4.2986 8.6090 117.5017 56.8040 39.0429 176.9425 133 K 3.8641 8.1354 119.5644 59.3812 32.0712 179.2030 134 A 3.7905 8.0667 121.2579 55.0922 18.1837 179.6828 135 L 4.1121 8.0859 117.4494 57.6239 41.7544 179.4612 136 E 3.9616 8.4732 119.0241 59.1662 29.3261 178.9169 137 L 3.9000 8.2007 120.6623 58.1844 42.0862 178.4787 138 F 4.1208 8.3532 120.4295 61.7525 39.2177 177.3461 139 R 3.4407 8.3565 117.6856 58.9833 29.8721 179.0843 140 K 3.8505 8.5240 119.8144 59.4551 32.2576 178.7446 141 D 4.3256 8.2546 119.5302 57.3061 40.7340 178.8077 142 I 3.5185 7.6756 120.4670 63.9092 37.0081 178.2973 143 A 3.6411 7.8411 121.7182 54.9661 18.2542 179.5708 144 A 3.9669 7.8460 119.1684 55.1629 18.4231 180.0538 145 K 4.0382 7.9051 116.9516 59.5762 32.0680 178.9928 146 Y 4.4703 8.3994 117.6659 61.1824 37.8244 178.8831 147 K 3.9819 8.0719 119.8237 59.7032 32.1724 178.8478 148 E 4.0485 7.9696 117.2815 59.1526 29.4263 178.7679 149 L 4.3245 7.9063 117.5462 55.5009 41.8984 177.8618 150 G 4.0408 7.9736 107.0466 45.4455 0.0000 172.9533 151 Y 4.1846 8.0639 120.3895 59.6891 40.1571 177.4091 152 Q 3.0121 7.2169 117.3210 57.5408 27.1222 175.0146 153 G 3.3877 7.9954 116.7048 46.3566 0.0000 171.2721 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 0 M 8.30 4.43 0.00 2.12 2.11 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 2.46 2.52 0.00 1 V 8.11 4.26 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 0.91 0.00 0.00 0.95 0.00 0.00 2 L 8.23 4.46 0.00 1.15 0.63 0.60 -0.38 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 3 S 8.68 4.49 0.00 4.06 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 4 E 8.85 4.32 0.00 2.19 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 2.43 2.52 0.00 5 G 8.08 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 6 E 7.97 4.00 0.00 1.96 1.71 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 2.21 2.25 0.00 7 W 8.02 4.36 0.00 3.59 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 8 Q 8.47 4.55 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 9 L 7.47 4.34 0.00 1.89 1.72 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.76 3.71 2.41 0.00 0.00 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 0.92 0.00 0.00 11 L 8.69 4.25 0.00 1.82 1.82 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.02 4.23 0.00 3.40 3.55 0.00 5.78 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 V 7.84 3.40 2.26 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 0.85 0.00 0.00 1.42 0.00 0.00 14 W 8.69 3.97 0.00 3.64 3.14 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 15 A 7.95 3.94 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 16 K 7.28 3.93 0.00 1.32 1.66 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.44 7.81 17 V 7.08 2.87 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 0.00 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 18 E 7.58 3.91 0.00 1.98 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 0.00 2.18 2.12 0.00 19 A 7.57 4.22 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 20 D 7.91 4.63 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.50 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 1.08 0.00 0.00 0.87 0.00 0.00 22 A 7.98 4.08 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 G 8.14 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 24 H 8.36 4.19 0.00 3.15 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.48 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 0.00 0.00 0.00 26 Q 8.13 4.00 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 27 D 8.06 4.33 0.00 2.86 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 28 I 7.80 3.54 1.90 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 1.45 0.57 0.53 0.00 0.00 29 F 8.14 3.19 0.00 3.02 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.74 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 0.90 0.00 0.00 31 R 7.79 3.77 0.00 1.93 2.01 0.00 3.00 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 32 L 7.72 3.86 0.00 1.53 1.24 0.99 0.81 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 33 F 8.31 4.68 0.00 3.06 2.96 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 34 K 8.42 4.06 0.00 1.67 1.84 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.80 7.81 35 S 8.02 4.29 0.00 3.87 3.61 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 36 H 8.41 4.81 0.00 2.84 2.80 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.54 0.00 2.26 2.32 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.87 0.00 38 E 8.22 4.08 0.00 2.32 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 2.24 2.53 0.00 39 T 8.29 3.83 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 0.87 0.00 0.00 40 L 7.94 3.76 0.00 1.40 1.77 0.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.93 4.07 0.00 2.21 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 2.38 2.41 0.00 42 K 8.05 4.42 0.00 1.90 1.67 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.75 1.99 7.81 43 F 8.03 4.45 0.00 3.23 2.85 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 44 D 8.54 4.38 0.00 2.57 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 45 R 7.70 3.81 0.00 1.32 0.66 0.00 3.01 0.00 0.00 2.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.39 0.00 46 F 7.75 5.09 0.00 2.97 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 47 K 8.25 3.94 0.00 1.77 1.91 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.75 7.81 48 H 8.15 4.45 0.00 3.30 3.44 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.50 4.11 0.00 1.56 1.59 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.49 4.32 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.57 7.81 51 T 7.31 4.75 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 1.21 0.00 0.00 52 E 8.63 3.97 0.00 2.06 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 2.37 2.37 0.00 53 A 7.96 3.98 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 54 E 7.88 3.97 0.00 2.12 2.02 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 0.00 2.35 2.35 0.00 55 M 7.97 4.18 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.62 0.00 56 K 8.27 4.00 0.00 1.85 1.85 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.43 7.81 57 A 7.63 4.34 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 58 S 7.36 4.24 0.00 3.86 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 59 E 8.81 4.07 0.00 2.13 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 2.38 2.46 0.00 60 D 8.08 4.43 0.00 3.00 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 61 L 7.85 3.18 0.00 1.06 1.50 -0.19 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.74 3.80 0.00 1.82 1.95 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.15 3.99 0.00 2.05 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.84 7.81 64 H 8.42 4.28 0.00 3.37 3.22 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.12 3.64 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 0.00 0.00 0.00 66 V 7.68 3.61 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 1.12 0.00 0.00 0.97 0.00 0.00 67 T 7.83 3.87 4.43 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 1.27 0.00 0.00 68 V 7.99 3.66 2.44 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 1.27 0.00 0.00 1.02 0.00 0.00 69 L 8.46 4.26 0.00 1.82 1.90 0.98 1.23 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 70 T 8.31 3.96 4.43 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 1.26 0.00 0.00 71 A 8.10 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.19 3.79 0.00 1.61 1.64 0.30 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 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 0.00 0.00 0.00 74 A 7.81 4.04 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 75 I 7.37 3.79 1.87 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 1.54 0.66 0.91 0.00 0.00 76 L 7.92 4.00 0.00 1.37 1.56 -0.22 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 4.02 0.00 1.89 1.81 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.48 1.51 7.81 78 K 7.86 3.99 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.83 7.81 79 K 8.23 2.00 0.00 1.28 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.64 7.81 80 G 8.20 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 81 H 7.60 4.92 0.00 3.20 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.17 5.47 0.00 3.32 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.56 4.01 0.00 2.10 2.08 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 2.42 2.48 0.00 84 A 7.89 4.03 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 85 E 8.17 4.08 0.00 2.25 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 2.41 2.45 0.00 86 L 8.21 4.22 0.00 2.01 1.68 1.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.88 3.91 0.00 1.81 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.64 7.81 88 P 0.00 4.31 0.00 2.31 2.34 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.54 4.00 0.00 1.83 1.90 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.21 1.49 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 0.00 0.00 91 Q 8.29 3.90 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.35 4.02 0.00 3.98 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 93 H 8.72 4.29 0.00 3.59 3.63 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.94 2.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.53 3.97 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 1.13 0.00 0.00 96 K 7.52 3.99 0.00 1.56 1.66 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.28 7.81 97 H 8.13 4.28 0.00 3.01 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.47 3.21 0.00 1.77 1.75 0.00 1.52 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.20 7.81 99 I 7.87 4.33 2.11 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 1.52 0.96 1.18 0.00 0.00 100 P 0.00 4.55 0.00 1.96 1.99 0.00 3.39 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 1.08 1.06 0.00 101 I 8.46 3.62 1.79 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.80 0.00 0.00 102 K 8.05 3.53 0.00 1.72 1.68 0.00 1.32 0.00 0.00 1.26 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.37 7.81 103 Y 7.92 4.24 0.00 3.27 3.07 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 0.00 104 L 7.84 4.23 0.00 1.86 1.81 0.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.19 3.97 0.00 1.96 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 2.29 2.43 0.00 106 F 7.67 4.48 0.00 3.13 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 0.00 107 I 8.08 3.80 1.91 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.27 1.04 0.00 0.00 108 S 8.08 4.14 0.00 4.21 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 0.00 109 E 8.36 3.97 0.00 2.17 2.31 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 2.38 2.42 0.00 110 A 7.98 3.97 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 0.00 111 I 8.04 3.66 2.12 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 1.56 0.73 1.02 0.00 0.00 112 I 8.02 3.84 2.00 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 1.71 0.83 1.13 0.00 0.00 113 H 8.46 4.07 0.00 3.34 3.47 0.00 5.78 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 0.00 114 V 7.94 3.55 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 1.00 0.00 0.00 0.98 0.00 0.00 115 L 7.97 3.74 0.00 0.61 0.39 0.86 1.10 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 0.00 116 H 7.97 4.33 0.00 3.44 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.85 4.18 0.00 4.02 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 0.00 118 R 7.93 4.08 0.00 1.59 1.62 0.00 3.11 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 119 H 8.18 5.02 0.00 3.16 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.21 2.25 0.00 3.73 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 2.06 1.93 0.00 121 G 8.17 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 0.00 122 N 8.14 4.97 0.00 2.80 2.95 0.00 0.00 6.69 6.83 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 0.00 123 F 7.87 4.96 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 0.00 124 G 7.75 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 0.00 125 A 8.40 3.88 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 0.00 126 D 7.97 4.18 0.00 2.65 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 0.00 127 A 7.74 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 0.00 128 Q 7.86 2.94 0.00 1.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 129 G 8.20 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 0.00 130 A 7.86 3.82 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 0.00 131 M 8.18 3.95 0.00 2.33 2.34 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 2.75 2.93 0.00 132 N 8.61 4.30 0.00 2.81 2.89 0.00 0.00 7.25 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 0.00 133 K 8.14 3.86 0.00 1.94 1.64 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.37 7.81 134 A 8.07 3.79 1.20 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 0.00 135 L 8.09 4.11 0.00 1.89 1.81 0.98 0.60 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 0.00 136 E 8.47 3.96 0.00 2.13 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 2.33 2.65 0.00 137 L 8.20 3.90 0.00 1.81 1.94 1.08 1.16 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 0.00 138 F 8.35 4.12 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 0.00 139 R 8.36 3.44 0.00 1.93 1.83 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 140 K 8.52 3.85 0.00 1.71 1.97 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 D 8.25 4.33 0.00 2.86 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 0.00 142 I 7.68 3.52 1.24 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.36 0.15 0.00 0.00 143 A 7.84 3.64 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 0.00 144 A 7.85 3.97 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 0.00 145 K 7.91 4.04 0.00 2.05 1.93 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.40 4.47 0.00 3.20 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 0.00 147 K 8.07 3.98 0.00 1.86 2.02 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.97 4.05 0.00 2.22 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 0.00 2.36 2.53 0.00 149 L 7.91 4.32 0.00 1.84 1.73 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.97 4.04 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 0.00 151 Y 8.06 4.18 0.00 2.59 2.85 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 0.00 152 Q 7.22 3.01 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 153 G 8.00 3.39 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 0.00