NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4722 8.2649 123.5984 51.8002 20.6809 177.5065 2 C 4.5504 7.8070 110.0175 59.5708 31.1718 173.3450 3 G 4.0389 7.7775 104.3721 44.5712 0.0000 172.6901 4 L 4.0926 8.5363 121.0046 55.9267 42.8757 176.5820 5 V 4.7634 8.4650 125.1588 60.9977 33.9503 174.3301 6 A 4.9341 9.2197 129.1771 50.1860 22.3705 174.8501 7 S 5.1193 8.2420 114.8565 56.3470 67.0831 172.7120 8 N 4.2651 8.9066 113.5156 54.2917 35.7072 176.3206 9 L 3.8863 7.9075 120.1013 56.1385 41.9595 177.3640 10 N 4.0978 7.9887 114.6465 54.1341 37.4196 173.4658 11 L 4.4138 8.1414 118.8658 54.3050 43.1202 175.7316 12 K 4.9476 8.7740 125.3484 53.6931 34.2981 174.1149 13 P 3.2381 0.0000 0.0000 64.1889 31.5913 175.4868 14 G 4.1000 8.0899 109.9290 45.8056 0.0000 175.3940 15 E 4.2574 7.2693 120.5624 55.6720 29.6313 175.7841 *17 L 4.2515 8.3169 124.8956 56.1997 43.2582 177.3196 18 R 4.8124 8.6934 125.7907 54.3947 32.7742 175.2835 19 V 4.5837 8.9106 123.9558 61.0121 34.6133 173.9111 20 R 5.1436 8.6466 127.9665 54.7304 32.7835 174.6843 21 G 3.5865 9.0196 111.8228 45.1125 0.0000 170.7559 22 E 4.9041 8.5073 119.7309 54.5482 31.1747 175.9716 23 V 4.3614 9.0124 125.8102 61.9008 32.9282 175.2993 24 A 4.1552 8.4520 129.4847 51.9387 18.8804 176.8721 25 P 4.3083 0.0000 0.0000 64.5790 31.7010 177.0705 26 D 4.8349 7.6830 116.8097 52.3877 39.8591 176.1782 27 A 4.1521 7.8431 122.8390 53.6862 19.0086 178.0818 28 K 4.5229 9.0926 122.2481 57.7308 34.5980 176.7264 29 S 5.3460 7.9126 110.7838 57.7772 65.5089 175.4751 30 F 5.5191 8.1373 119.8380 55.3632 42.0479 173.2670 31 V 4.7034 9.0302 118.9469 61.0989 34.9875 173.9925 32 L 5.3515 9.2113 127.6118 53.1375 44.5267 174.9200 33 N 5.6126 9.5235 121.9052 51.5282 41.3673 173.8750 34 L 5.1979 9.7782 123.4076 52.0489 45.7129 176.8685 35 G 4.2665 8.2231 109.6777 46.8525 0.0000 174.6086 36 K 4.0221 9.0905 122.6744 58.3918 33.0637 176.1641 37 D 3.9181 7.0761 115.5859 52.3642 41.3626 175.5254 38 S 3.8247 7.7650 112.7124 60.6529 63.0741 174.4787 39 N 4.4995 8.3070 117.6953 53.3810 39.3635 173.7504 40 N 5.3379 7.9653 115.4527 50.9937 40.9388 171.7753 41 L 5.2159 8.7747 123.3475 52.8804 43.6391 177.1125 42 C 4.4005 8.9647 119.2899 60.2111 31.0383 173.6728 43 L 4.6723 8.2644 122.3056 53.9322 45.4130 174.1881 44 H 5.4202 9.6027 127.9283 54.7880 31.7174 172.9609 45 F 4.6552 9.3457 130.3945 56.6631 40.9818 173.8571 46 N 4.7285 8.0508 125.4640 49.3266 39.4881 169.7755 47 P 4.2581 0.0000 0.0000 61.9000 33.0158 175.0883 48 R 4.4199 8.8429 124.5348 54.5833 31.7955 176.9269 49 F 3.8426 9.0302 123.5782 60.1994 39.9967 175.6175 50 N 5.2732 8.4741 120.5011 52.7886 40.2757 172.6935 51 A 4.5004 9.2971 126.3276 52.1011 22.6208 175.9987 52 H 4.1165 9.6893 116.2118 56.7851 26.3883 176.5585 53 G 3.9347 8.3913 106.6406 45.5488 0.0000 173.9731 54 D 4.5547 8.0574 120.6811 52.9959 41.8791 175.2145 55 A 4.9621 8.1799 126.1337 51.7226 21.7243 175.9111 56 N 3.1400 8.0134 120.0471 53.9737 36.8954 174.8624 57 T 4.5491 7.2648 113.4614 61.7511 73.3310 174.8915 58 I 4.3361 8.3654 126.7542 60.3530 39.0065 174.5957 59 V 4.6276 8.1788 127.5503 61.2811 33.6532 174.1535 60 C 5.6036 8.8313 125.1704 57.4596 31.5734 172.4492 61 N 5.4638 8.2275 119.3561 53.0333 42.8135 172.2513 62 S 5.4614 8.9761 114.8366 56.4082 67.2732 172.7356 63 K 4.7847 8.9810 120.4015 54.9037 35.5772 174.0805 64 D 4.8110 9.1685 127.6028 52.3413 43.8310 175.9120 65 G 3.9107 10.2231 117.6613 46.4919 0.0000 173.6921 66 G 3.6817 8.3868 107.2346 44.4056 0.0000 173.6865 67 A 4.5552 7.4498 123.5750 49.6731 20.4863 176.3303 68 W 4.7304 8.6197 123.5026 57.3673 29.7791 177.1840 69 G 4.2291 8.8855 112.2718 46.2698 0.0000 172.4577 70 T 4.5594 8.5151 117.9316 62.6475 69.5408 175.0821 71 E 4.3634 8.8775 126.0441 56.5683 30.5482 175.9480 72 Q 4.6999 9.4748 124.9407 54.3769 32.0941 174.0728 73 R 4.9308 8.4971 124.8411 54.6948 31.8794 176.1229 74 E 4.2684 8.5655 123.4446 55.6824 30.4040 176.4594 75 A 4.3260 8.4557 122.4402 52.8648 19.7786 177.7415 76 V 4.4027 7.3424 107.5288 59.8551 34.6208 176.0644 77 F 4.5009 7.7770 123.3890 56.8500 39.7598 171.7169 78 P 4.5940 0.0000 0.0000 62.2868 32.1857 176.3679 79 F 5.0750 7.2826 116.5598 56.8011 41.1306 175.2397 80 Q 4.9986 8.6942 122.5959 53.2617 31.5880 173.9345 81 P 4.0983 0.0000 0.0000 63.8773 31.8430 176.3235 82 G 3.8875 8.7095 109.8153 46.6797 0.0000 173.0198 83 S 4.8378 7.6908 112.6690 56.0214 67.3159 172.3874 84 V 4.6266 8.3837 119.9521 61.9613 32.3251 174.7989 85 A 5.0200 9.2329 129.3250 50.1290 22.2559 174.0804 86 E 5.3145 9.0820 122.4084 54.5828 32.2928 175.1779 87 V 4.9946 8.5237 125.3124 58.8947 35.4334 173.7229 *89 I 4.3411 8.1773 119.5039 61.9243 38.1773 175.1815 90 T 5.1527 8.6423 120.1372 60.6030 71.8303 171.8751 91 F 5.5081 8.2801 117.3849 56.0411 41.0074 173.2176 92 D 4.8851 9.0851 118.4621 52.0016 42.0147 175.5964 93 Q 4.1329 8.9249 115.3940 59.4136 28.8702 176.9355 94 A 4.5154 7.8937 116.5784 53.2562 20.7002 177.2147 95 N 5.5044 9.1858 111.4183 51.7008 43.5678 174.0157 96 L 5.1126 9.3181 121.9650 54.0045 44.2914 175.6599 97 T 4.8138 9.0957 119.6060 61.7580 71.5289 173.1464 98 V 4.2686 8.0932 126.8642 60.9419 33.5505 174.2551 99 K 4.8972 8.3971 127.3518 54.9172 34.1960 175.6955 100 L 4.8543 8.7113 124.2500 51.8230 45.1147 174.5311 101 P 4.3153 0.0000 0.0000 63.9677 31.7218 176.5984 102 D 4.3544 9.4473 117.4545 55.4154 38.0568 175.2864 103 G 3.8165 8.3287 105.3571 45.6083 0.0000 173.9012 104 Y 4.5215 7.3618 116.5657 58.0188 39.1399 174.4884 105 E 5.3309 8.6399 118.4685 55.6233 32.6003 173.7931 106 F 5.1803 8.5283 115.3674 55.6672 42.1242 172.9935 107 K 5.1900 8.9439 118.0492 54.6856 34.8914 175.6340 108 F 5.1707 9.1639 125.5532 55.4630 42.5415 172.3654 109 P 4.5181 0.0000 0.0000 63.0581 32.0983 176.7628 110 N 4.7135 9.3829 122.5762 52.4489 37.1903 175.5722 111 R 3.9604 8.0683 121.1399 58.1468 30.6748 177.6693 112 L 4.3951 7.9368 114.9181 53.8753 42.2171 175.7127 113 N 4.2514 7.8725 114.9449 53.9313 36.7811 174.6432 114 L 4.2062 8.1654 116.2225 55.0629 42.3789 177.3156 115 E 4.7497 8.7829 120.3644 56.3987 30.6465 175.6856 116 A 5.1528 7.7147 119.6274 50.6044 22.6416 175.5784 117 I 4.2370 8.9798 122.9997 60.1009 38.7325 175.9428 118 N 4.9642 9.1756 123.9422 53.1178 40.9555 173.8815 119 Y 5.2951 7.8534 120.0270 56.0159 42.7198 173.4394 120 M 5.2690 8.6370 124.8855 53.9711 36.4835 173.3837 121 A 5.0962 8.9897 125.7725 50.2498 22.8920 174.6875 122 A 5.3597 8.9738 122.8740 50.6078 22.3352 175.0700 123 D 4.4939 9.0769 118.8316 54.0570 45.3320 175.8089 124 G 4.0769 8.7785 108.1770 46.3706 0.0000 174.7817 125 D 4.8652 8.7721 116.6258 52.9418 39.4626 177.1307 126 F 5.0753 7.7370 119.6398 56.8304 43.0714 173.9243 127 K 4.2966 8.3731 128.5039 54.3812 33.7812 175.2898 128 I 3.8747 8.1132 129.1958 61.4547 37.2845 176.2099 129 K 4.2237 8.8303 125.6083 56.6111 33.2387 176.5148 *131 V 3.9867 7.6401 119.5879 62.6311 32.3389 174.2890 132 A 4.4410 8.5201 128.0409 50.0450 23.0579 174.5784 133 F 5.0115 8.5675 118.5652 55.8822 41.1702 175.6139 134 D 4.5841 8.7828 122.8577 54.3929 41.0173 176.3451 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 A 8.26 4.47 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 2 C 7.81 4.55 0.00 3.03 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 3 G 7.78 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 4 L 8.54 4.09 0.00 1.77 1.58 0.91 0.70 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 5 V 8.47 4.76 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 0.89 0.00 0.00 0.97 0.00 0.00 6 A 9.22 4.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 5.12 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.91 4.27 0.00 2.90 2.93 0.00 0.00 6.92 7.85 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 9 L 7.91 3.89 0.00 1.75 1.81 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.99 4.10 0.00 2.74 2.75 0.00 0.00 6.92 7.78 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 11 L 8.14 4.41 0.00 1.86 1.78 1.15 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.77 4.95 0.00 1.97 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.53 7.81 13 P 0.00 3.24 0.00 1.79 1.58 0.00 3.56 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 14 G 8.09 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 0.00 0.00 0.00 15 E 7.27 4.26 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 *17 L 8.32 4.25 0.00 1.81 1.84 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.69 4.81 0.00 1.70 1.77 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 19 V 8.91 4.58 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.93 0.00 0.00 20 R 8.65 5.14 0.00 1.91 1.70 0.00 3.22 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 21 G 9.02 3.59 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 0.00 0.00 0.00 22 E 8.51 4.90 0.00 1.70 1.78 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 2.17 2.10 0.00 23 V 9.01 4.36 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 0.95 0.00 0.00 1.09 0.00 0.00 24 A 8.45 4.16 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 25 P 0.00 4.31 0.00 2.02 2.10 0.00 3.61 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 2.00 2.04 0.00 26 D 7.68 4.83 0.00 2.73 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 27 A 7.84 4.15 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 28 K 9.09 4.52 0.00 1.73 2.02 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.52 7.81 29 S 7.91 5.35 0.00 3.88 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 30 F 8.14 5.52 0.00 3.35 3.17 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 31 V 9.03 4.70 2.16 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 1.04 0.00 0.00 0.91 0.00 0.00 32 L 9.21 5.35 0.00 1.83 1.65 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.52 5.61 0.00 2.73 2.95 0.00 0.00 6.34 6.75 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 34 L 9.78 5.20 0.00 1.59 1.51 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.22 4.27 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 0.00 36 K 9.09 4.02 0.00 1.65 1.88 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.35 7.81 37 D 7.08 3.92 0.00 2.58 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 38 S 7.76 3.82 0.00 3.90 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 39 N 8.31 4.50 0.00 2.75 2.74 0.00 0.00 6.58 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.97 5.34 0.00 2.53 2.64 0.00 0.00 6.70 6.45 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 41 L 8.77 5.22 0.00 1.61 1.75 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.96 4.40 0.00 3.03 3.06 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 0.00 0.00 0.00 43 L 8.26 4.67 0.00 1.87 1.55 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.60 5.42 0.00 3.60 3.54 0.00 5.80 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.35 4.66 0.00 3.01 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 46 N 8.05 4.73 0.00 2.38 2.45 0.00 0.00 7.06 7.25 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 47 P 0.00 4.26 0.00 0.79 1.14 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.75 0.00 48 R 8.84 4.42 0.00 1.60 1.75 0.00 2.99 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 49 F 9.03 3.84 0.00 3.31 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 50 N 8.47 5.27 0.00 2.73 2.71 0.00 0.00 7.08 7.53 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 51 A 9.30 4.50 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.69 4.12 0.00 3.19 3.32 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.39 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 54 D 8.06 4.55 0.00 2.81 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.18 4.96 1.10 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 0.00 0.00 56 N 8.01 3.14 0.00 2.39 2.04 0.00 0.00 6.79 8.20 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 57 T 7.26 4.55 4.06 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 0.00 0.00 1.09 0.00 0.00 58 I 8.37 4.34 1.68 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.98 0.57 0.00 0.00 59 V 8.18 4.63 1.87 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 0.80 0.00 0.00 0.77 0.00 0.00 60 C 8.83 5.60 0.00 2.57 1.74 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 61 N 8.23 5.46 0.00 2.69 2.76 0.00 0.00 6.64 7.63 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 62 S 8.98 5.46 0.00 4.15 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 0.00 63 K 8.98 4.78 0.00 1.34 1.38 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.56 7.81 64 D 9.17 4.81 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.22 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 66 G 8.39 3.68 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 0.00 0.00 0.00 67 A 7.45 4.56 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 68 W 8.62 4.73 0.00 3.18 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 69 G 8.89 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 0.00 0.00 0.00 0.00 70 T 8.52 4.56 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 1.24 0.00 0.00 71 E 8.88 4.36 0.00 1.81 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 2.17 2.20 0.00 72 Q 9.47 4.70 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 73 R 8.50 4.93 0.00 1.66 1.75 0.00 3.19 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 74 E 8.57 4.27 0.00 1.59 1.56 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 1.75 1.47 0.00 75 A 8.46 4.33 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 76 V 7.34 4.40 1.41 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 0.74 0.00 0.00 0.90 0.00 0.00 77 F 7.78 4.50 0.00 2.90 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 78 P 0.00 4.59 0.00 1.96 1.87 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.68 0.00 79 F 7.28 5.07 0.00 2.43 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 80 Q 8.69 5.00 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 81 P 0.00 4.10 0.00 1.93 1.76 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.43 0.00 82 G 8.71 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 83 S 7.69 4.84 0.00 3.92 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 84 V 8.38 4.63 2.11 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 0.81 0.00 0.00 0.92 0.00 0.00 85 A 9.23 5.02 1.60 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 86 E 9.08 5.31 0.00 2.02 1.87 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 2.22 2.42 0.00 87 V 8.52 4.99 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 1.06 0.00 0.00 0.73 0.00 0.00 *89 I 8.18 4.34 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.23 0.92 0.00 0.00 90 T 8.64 5.15 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 1.21 0.00 0.00 91 F 8.28 5.51 0.00 3.13 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 92 D 9.09 4.89 0.00 2.78 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 93 Q 8.92 4.13 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 94 A 7.89 4.52 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 95 N 9.19 5.50 0.00 2.67 2.70 0.00 0.00 6.96 6.45 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 96 L 9.32 5.11 0.00 1.88 1.65 1.09 0.66 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 97 T 9.10 4.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 98 V 8.09 4.27 0.67 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 0.45 0.00 0.00 0.51 0.00 0.00 99 K 8.40 4.90 0.00 1.70 1.66 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.38 7.81 100 L 8.71 4.85 0.00 1.60 1.45 1.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.32 0.00 2.10 1.99 0.00 3.38 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.30 0.00 102 D 9.45 4.35 0.00 3.07 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 0.00 103 G 8.33 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 7.36 4.52 0.00 3.05 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 0.00 105 E 8.64 5.33 0.00 2.02 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 2.22 2.35 0.00 106 F 8.53 5.18 0.00 3.17 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 0.00 107 K 8.94 5.19 0.00 1.74 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 108 F 9.16 5.17 0.00 3.38 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 0.00 109 P 0.00 4.52 0.00 1.90 1.90 0.00 2.93 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.68 0.00 110 N 9.38 4.71 0.00 2.80 3.02 0.00 0.00 7.13 7.69 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 0.00 111 R 8.07 3.96 0.00 1.88 2.00 0.00 3.31 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 112 L 7.94 4.40 0.00 1.62 1.70 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.87 4.25 0.00 2.89 2.90 0.00 0.00 6.96 7.24 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 0.00 114 L 8.17 4.21 0.00 1.56 1.55 0.85 0.94 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 0.00 115 E 8.78 4.75 0.00 2.01 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 2.35 0.00 116 A 7.71 5.15 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 0.00 117 I 8.98 4.24 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 0.89 0.00 0.00 118 N 9.18 4.96 0.00 2.70 2.86 0.00 0.00 5.95 6.75 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 0.00 119 Y 7.85 5.30 0.00 3.13 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 0.00 120 M 8.64 5.27 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 121 A 8.99 5.10 1.16 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 0.00 0.00 122 A 8.97 5.36 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 0.00 123 D 9.08 4.49 0.00 2.89 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 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 0.00 125 D 8.77 4.87 0.00 2.75 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 0.00 126 F 7.74 5.08 0.00 2.29 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 0.00 127 K 8.37 4.30 0.00 1.71 1.44 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.29 7.81 128 I 8.11 3.87 1.77 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 1.26 0.56 0.83 0.00 0.00 129 K 8.83 4.22 0.00 1.55 1.74 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 *131 V 7.64 3.99 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 0.39 0.00 0.00 0.87 0.00 0.00 132 A 8.52 4.44 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.57 5.01 0.00 2.93 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 0.00 134 D 8.78 4.58 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.