NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7047 8.3549 109.6760 44.7470 0.0000 173.7891 2 F 4.3954 7.5082 118.2903 53.7257 39.9068 173.1711 3 P 4.4055 0.0000 0.0000 62.9728 32.6273 175.6278 4 I 4.4407 8.2386 121.9679 59.2034 37.4516 174.1339 5 P 4.3661 0.0000 0.0000 63.0927 31.5485 175.0919 6 D 4.9903 8.4875 120.1678 51.7401 43.1589 173.1634 7 P 4.5875 0.0000 0.0000 62.8814 31.9549 176.5644 8 Y 4.6405 8.7066 120.7042 56.7564 37.0682 174.1901 9 V 4.4097 7.4511 123.0302 59.6844 35.1516 174.8687 10 W 2.5400 8.1123 134.7835 57.0735 31.2794 174.7205 11 D 4.4017 6.4908 121.2633 50.6055 42.1242 174.2664 12 P 3.7037 0.0000 0.0000 65.4442 31.3493 178.6472 13 S 4.0526 7.9051 111.5105 60.0978 62.8863 174.8061 14 F 4.3998 7.3167 118.7249 57.0606 39.0337 175.8874 15 R 4.4295 7.6934 122.9753 57.0351 29.9427 176.2679 16 T 4.2192 9.2780 115.2267 61.6345 69.7928 175.6704 17 F 3.6796 7.8349 119.7970 58.2655 36.8292 174.9019 18 Y 4.6008 7.5610 120.3167 55.5711 39.0025 176.0926 19 S 4.0879 8.6631 121.2273 61.8022 62.9977 176.4996 20 I 3.6786 7.7822 121.9118 63.5260 37.7429 177.7528 21 I 3.7784 7.7641 120.2590 64.4904 37.0403 177.9618 22 D 4.3912 8.5876 120.2040 57.5060 40.3831 178.6425 23 D 4.0929 7.8166 118.5249 57.1086 40.7481 178.3219 24 E 4.0922 7.9444 119.0554 59.4589 29.4664 178.9295 25 H 4.4072 8.3108 116.5527 58.8495 28.8791 177.7927 26 K 3.9364 7.7638 120.5633 59.7573 31.7927 179.3644 27 T 4.0154 7.6952 109.5943 64.5718 68.8414 176.9232 28 L 4.0484 7.9404 122.0056 57.4295 41.5360 179.4026 29 F 3.9275 8.2319 117.3907 60.5945 38.9487 176.9807 30 N 4.4640 8.3136 116.3626 56.7067 38.5606 177.1143 31 G 3.6738 8.3817 107.1942 47.9199 0.0000 175.8373 32 I 3.8428 7.9998 122.1670 63.6514 37.2717 177.9949 33 F 4.1877 8.7353 121.9137 62.0936 39.1601 177.1186 34 H 4.3692 8.3938 115.1447 58.6764 28.0975 177.6222 35 L 4.1112 7.8358 122.1948 57.9904 41.6219 178.8489 36 A 4.1484 7.9010 120.0463 54.4740 18.3321 179.3757 37 I 4.1387 6.8966 116.6128 62.7025 37.8103 175.9719 38 D 4.5442 8.1840 121.0296 52.5320 42.3736 174.4993 39 D 4.7937 8.6442 128.1128 51.9281 39.9492 174.1732 40 N 5.3860 7.6832 120.5844 49.6742 41.1111 176.0588 41 A 3.9851 8.4708 118.6509 55.3404 18.2412 179.4677 42 D 4.2597 7.9654 116.9181 57.7643 41.0652 178.6699 43 N 4.3854 8.0409 116.4208 55.9753 38.5707 177.1891 44 L 3.7792 7.8757 122.0200 57.8587 42.0604 179.2519 45 G 3.5222 8.0633 105.8240 47.5219 0.0000 175.3681 46 E 3.8585 8.1274 121.6704 58.9362 29.6980 178.6331 47 L 3.8709 7.6951 120.3091 58.0860 42.0828 178.7302 48 R 3.6807 8.3443 118.9053 59.3652 29.8700 178.3678 49 R 3.7911 8.0393 118.3142 59.8194 30.0995 178.2099 50 C 4.0513 8.0319 116.3976 63.1077 27.9670 176.5085 51 T 3.6005 8.3002 117.8569 66.3679 68.0554 177.1620 52 G 3.5533 8.2301 108.0876 47.5612 0.0000 175.7327 53 K 3.9444 8.2735 122.3553 59.4085 32.2489 178.4204 54 H 4.4353 8.2633 120.0118 58.8819 29.8437 177.1412 55 F 4.3964 8.3088 119.8442 60.5006 38.6614 177.4209 56 L 4.0545 8.0474 119.7831 58.3598 41.9717 178.6939 57 N 4.3149 8.4405 116.6596 56.4620 38.5336 177.0526 58 E 3.8743 8.6557 121.0093 59.2962 29.5927 178.9199 59 Q 4.2593 8.2967 118.3103 58.8815 28.7910 178.7652 60 V 3.5641 8.0001 119.4892 65.9693 30.0703 177.8922 61 L 3.8771 8.0114 120.0774 58.2295 41.7955 178.9333 62 M 4.0626 7.9609 118.7453 58.5076 31.9855 178.7997 63 Q 3.9051 8.4191 117.9953 58.3881 28.5284 178.5107 64 A 4.0922 7.7002 121.3385 54.0974 18.3328 178.2253 65 S 4.5348 7.0722 109.1553 57.5108 64.0671 174.2428 66 Q 3.2378 7.7826 117.9835 56.1847 26.5105 174.1871 67 Y 4.2566 8.3049 118.1582 58.2616 39.6889 176.3665 68 Q 3.5953 8.4921 128.2856 58.7731 29.0665 177.7114 69 F 4.9382 5.5147 115.4967 57.4189 40.0459 177.6876 70 Y 4.3384 7.8970 122.9377 61.1031 38.7771 176.0446 71 D 4.3181 8.3829 119.2909 57.7715 41.1165 178.4751 72 E 3.9751 8.2427 118.8502 59.4924 29.6641 178.2507 73 H 4.0515 8.1043 118.2864 59.1956 29.9734 177.1592 74 K 3.7217 8.1982 121.7645 59.3897 31.9949 178.8656 75 K 4.2029 8.0400 118.8411 59.3133 31.9055 179.2139 76 E 4.1941 8.0482 118.4886 59.7892 29.4679 178.8664 77 H 3.7384 8.0405 116.1510 59.0485 28.6686 177.5336 78 E 4.1690 8.5870 122.6395 60.4157 29.2914 180.2822 *79 T 3.8708 7.9871 113.9666 66.0316 68.4776 178.4003 80 F 4.2521 8.0161 123.4437 60.9560 39.2066 177.1823 81 I 3.5695 7.9951 119.4881 64.8251 36.7564 177.8164 82 H 4.0647 8.3397 117.4782 59.2441 29.6534 176.8145 83 A 4.0582 7.9215 122.5704 55.1057 18.0033 179.6669 84 L 3.8907 7.7245 116.7445 57.6165 41.7418 178.6697 85 D 4.6074 8.0601 116.7814 55.0147 42.0167 176.0700 86 N 5.0000 7.5250 116.4688 51.6584 39.4790 175.0194 87 W 4.3834 8.2874 130.2738 58.2954 31.6952 175.8910 88 K 4.1475 7.3770 125.3068 53.8849 32.3751 173.4974 89 G 3.7983 5.4820 105.4347 47.0718 0.0000 175.4386 90 D 4.5581 6.2681 123.3619 53.2719 38.9579 177.3468 91 V 4.1170 7.8674 124.7345 65.5267 32.1697 177.9731 92 K 4.2362 8.1699 118.4895 59.0808 31.9216 179.0972 93 W 4.1463 8.6999 128.4693 60.4677 30.7067 177.9130 94 A 4.0625 8.4989 120.3344 55.1606 17.7533 179.6734 95 K 3.6550 8.7353 118.9785 58.9897 32.0829 179.7415 96 S 4.2111 8.1047 114.4867 60.8232 63.0040 176.2349 97 W 3.5666 8.2670 132.3237 59.9658 30.3544 177.6913 98 L 3.8003 7.9850 120.1893 58.0488 41.6490 178.8875 99 V 3.7876 7.4533 118.1493 66.4113 31.4234 177.8200 100 N 4.3935 8.1517 116.0481 56.2996 38.3397 176.9097 101 H 3.4967 7.8109 120.0456 59.0075 29.7717 177.4036 102 I 3.7919 7.3499 122.6289 63.9856 36.8430 178.7550 103 K 2.4800 7.1998 117.2686 57.7581 31.5942 178.5084 104 T 4.3425 7.4379 108.7670 62.8919 70.3900 176.2408 105 I 3.8719 7.0160 121.6008 63.5595 37.8219 177.6907 106 D 3.8038 7.9433 119.9001 57.3088 40.7389 178.9329 107 F 4.4137 8.2070 117.8319 60.2557 38.5783 177.7961 108 K 4.2258 7.6840 117.8842 58.9636 32.0537 177.7692 109 Y 4.6136 7.5860 116.2567 55.9196 38.0953 175.3238 110 K 4.3976 7.5342 121.2481 58.4837 32.3761 177.2896 111 G 4.0222 9.1132 111.7833 45.8811 0.0000 173.8261 112 K 4.6604 8.6490 117.7796 55.9479 33.4927 176.3662 113 I 4.1558 7.6293 117.5604 60.9969 37.5656 174.8535 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 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 2 F 7.51 4.40 0.00 3.10 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 3 P 0.00 4.41 0.00 2.24 2.10 0.00 3.90 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 2.02 0.00 4 I 8.24 4.44 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 1.14 0.00 0.00 5 P 0.00 4.37 0.00 2.38 2.23 0.00 3.98 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 6 D 8.49 4.99 0.00 2.70 2.63 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 7 P 0.00 4.59 0.00 2.49 2.28 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 8 Y 8.71 4.64 0.00 3.14 3.26 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 0.00 9 V 7.45 4.41 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 0.77 0.00 0.00 0.82 0.00 0.00 10 W 8.11 2.54 0.00 2.71 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 11 D 6.49 4.40 0.00 2.62 2.43 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 12 P 0.00 3.70 0.00 2.02 2.07 0.00 3.35 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 13 S 7.91 4.05 0.00 3.67 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 14 F 7.32 4.40 0.00 2.45 3.13 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 15 R 7.69 4.43 0.00 1.80 1.59 0.00 2.62 0.00 0.00 2.55 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.45 0.00 16 T 9.28 4.22 4.86 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 1.77 0.00 0.00 17 F 7.83 3.68 0.00 2.94 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 18 Y 7.56 4.60 0.00 3.01 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 19 S 8.66 4.09 0.00 4.02 4.18 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 0.00 0.00 0.00 0.00 20 I 7.78 3.68 1.88 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 1.64 1.19 0.93 0.00 0.00 21 I 7.76 3.78 2.20 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.41 1.06 0.00 0.00 22 D 8.59 4.39 0.00 2.70 2.48 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 0.00 0.00 0.00 0.00 23 D 7.82 4.09 0.00 2.72 2.60 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 24 E 7.94 4.09 0.00 2.15 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 2.57 0.00 25 H 8.31 4.41 0.00 3.45 3.70 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.76 3.94 0.00 1.76 1.68 0.00 1.19 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.44 7.81 27 T 7.70 4.02 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 28 L 7.94 4.05 0.00 1.80 1.71 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.23 3.93 0.00 3.25 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 30 N 8.31 4.46 0.00 2.88 3.00 0.00 0.00 7.17 7.79 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 31 G 8.38 3.67 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 0.00 0.00 0.00 32 I 8.00 3.84 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 0.71 0.00 0.00 33 F 8.74 4.19 0.00 3.59 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 34 H 8.39 4.37 0.00 3.39 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.84 4.11 0.00 1.80 1.81 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.90 4.15 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 37 I 6.90 4.14 1.92 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.31 0.89 0.00 0.00 38 D 8.18 4.54 0.00 2.56 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 39 D 8.64 4.79 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.68 5.39 0.00 2.90 2.92 0.00 0.00 6.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.47 3.99 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 42 D 7.97 4.26 0.00 2.68 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 43 N 8.04 4.39 0.00 2.71 2.86 0.00 0.00 6.72 6.74 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 44 L 7.88 3.78 0.00 1.61 1.65 0.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.06 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.13 3.86 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 47 L 7.70 3.87 0.00 1.73 1.62 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.34 3.68 0.00 1.84 1.97 0.00 3.06 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 49 R 8.04 3.79 0.00 1.87 2.00 0.00 3.13 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 50 C 8.03 4.05 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.30 3.60 4.14 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 0.58 0.00 0.00 52 G 8.23 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 53 K 8.27 3.94 0.00 1.85 1.85 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 54 H 8.26 4.44 0.00 3.32 3.29 0.00 5.89 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 55 F 8.31 4.40 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.05 4.05 0.00 1.94 1.85 1.00 0.74 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 57 N 8.44 4.31 0.00 3.07 2.87 0.00 0.00 6.74 8.40 0.00 0.00 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 E 8.66 3.87 0.00 2.04 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 2.24 2.34 0.00 59 Q 8.30 4.26 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 60 V 8.00 3.56 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 0.97 0.00 0.00 0.99 0.00 0.00 61 L 8.01 3.88 0.00 1.65 1.53 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 M 7.96 4.06 0.00 2.44 2.47 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 2.57 2.13 0.00 63 Q 8.42 3.91 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.35 2.10 0.00 64 A 7.70 4.09 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 65 S 7.07 4.53 0.00 3.82 3.87 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 66 Q 7.78 3.24 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 67 Y 8.30 4.26 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.49 3.60 0.00 1.56 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.33 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 69 F 5.51 4.94 0.00 2.97 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 70 Y 7.90 4.34 0.00 3.23 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.38 4.32 0.00 2.80 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 E 8.24 3.98 0.00 2.12 2.01 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 2.37 2.43 0.00 73 H 8.10 4.05 0.00 3.60 3.41 0.00 5.66 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 74 K 8.20 3.72 0.00 1.16 1.67 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.41 7.81 75 K 8.04 4.20 0.00 2.15 1.89 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.65 7.81 76 E 8.05 4.19 0.00 2.27 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 0.00 2.56 2.46 0.00 77 H 8.04 3.74 0.00 3.26 3.06 0.00 5.65 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 78 E 8.59 4.17 0.00 2.24 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 2.40 2.60 0.00 *79 T 7.99 3.87 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 80 F 8.02 4.25 0.00 1.51 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 81 I 8.00 3.57 2.12 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 2.01 1.04 0.97 0.00 0.00 82 H 8.34 4.06 0.00 3.20 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.92 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 84 L 7.72 3.89 0.00 1.50 1.41 0.40 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.06 4.61 0.00 2.56 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 86 N 7.52 5.00 0.00 2.58 2.61 0.00 0.00 6.89 7.44 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 87 W 8.29 4.38 0.00 3.42 2.98 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 88 K 7.38 4.15 0.00 1.77 1.61 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 0.96 7.81 89 G 5.48 3.80 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 0.00 0.00 0.00 90 D 6.27 4.56 0.00 2.45 2.37 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 91 V 7.87 4.12 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.17 4.24 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.53 7.81 93 W 8.70 4.15 0.00 3.68 3.56 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 94 A 8.50 4.06 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 0.00 0.00 0.00 0.00 0.00 95 K 8.74 3.66 0.00 1.79 1.55 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.62 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.05 7.81 96 S 8.10 4.21 0.00 4.06 4.14 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 97 W 8.27 3.57 0.00 2.23 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 98 L 7.99 3.80 0.00 1.66 1.54 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.45 3.79 2.34 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 1.21 0.00 0.00 1.27 0.00 0.00 100 N 8.15 4.39 0.00 2.72 2.71 0.00 0.00 6.71 7.76 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 0.00 101 H 7.81 3.50 0.00 1.40 2.74 0.00 5.78 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 0.00 102 I 7.35 3.79 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.15 1.04 0.00 0.00 103 K 7.20 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.62 7.81 104 T 7.44 4.34 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 1.43 0.00 0.00 105 I 7.02 3.87 1.43 0.00 0.00 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 1.34 0.86 0.51 0.00 0.00 106 D 7.94 3.80 0.00 2.71 2.65 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 0.00 107 F 8.21 4.41 0.00 3.00 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 0.00 108 K 7.68 4.23 0.00 2.09 2.15 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.70 7.81 109 Y 7.59 4.61 0.00 2.60 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 0.00 110 K 7.53 4.40 0.00 1.88 1.86 0.00 1.89 0.00 0.00 1.21 0.00 0.00 2.52 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.51 7.81 111 G 9.11 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.65 4.66 0.00 2.12 2.11 0.00 2.23 0.00 0.00 2.03 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.70 7.81 113 I 7.63 4.16 1.74 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.32 0.67 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.