NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2781 8.1593 117.3715 63.6096 69.7871 172.7908 7 T 4.4501 8.3801 116.4152 59.4343 71.0457 171.9283 8 T 4.5124 8.2148 121.1111 61.8468 71.8797 175.3498 9 T 4.3022 8.3968 116.6149 61.4351 69.9109 174.0544 10 L 4.6506 8.2034 120.7954 54.7119 41.8433 178.5517 11 E 4.0402 8.2113 118.1193 57.9269 29.8633 176.4934 12 K 4.7012 7.1382 118.1055 53.8473 35.6527 176.0601 13 R 3.8773 8.5079 120.0751 56.0514 30.4014 174.8751 14 P 4.5780 0.0000 0.0000 62.7621 32.1011 175.0950 15 E 5.3020 8.7311 123.7034 54.7416 32.7660 175.5040 16 I 4.7088 8.5075 120.9058 59.6914 42.0652 173.2736 17 L 4.8840 9.3179 132.1057 54.5253 43.2905 175.3617 18 I 5.0442 8.8879 126.6759 59.6351 41.7568 174.3902 19 F 4.6535 9.8278 125.6420 56.7430 40.4983 174.9730 20 V 4.6094 9.2329 125.5141 61.2064 32.7985 175.4303 21 N 4.4820 10.0029 128.2711 54.4097 36.4660 175.9212 22 G 4.0251 8.8917 104.5070 45.3332 0.0000 173.2071 23 Y 4.6978 7.7476 117.3460 54.9690 41.3896 173.2728 24 P 4.0082 0.0000 0.0000 62.6218 32.2324 175.7605 25 I 4.3754 8.5482 124.4195 59.1849 41.3628 174.1181 26 K 4.6552 8.4767 128.2560 55.3355 32.7854 175.6544 27 F 4.8750 9.2343 127.2950 56.2949 41.6447 174.7536 28 L 4.8573 8.9972 124.2298 53.5784 43.4546 175.5428 29 L 4.3989 8.9282 127.9020 55.0871 42.3791 176.6737 30 N 4.9636 9.2625 124.2928 51.7225 40.6919 174.9698 31 T 4.0745 8.8247 116.6131 63.3506 69.2996 175.4978 32 G 3.9026 8.2329 109.9914 45.2216 0.0000 172.7011 33 A 4.7003 7.7405 122.4278 49.9193 21.1316 177.7925 34 D 4.6015 8.9631 123.0725 56.5709 42.1064 176.2538 35 I 5.3319 7.3575 109.0912 57.9333 41.3420 175.1570 36 T 4.4928 8.4604 119.3457 63.2711 69.6955 173.9365 37 I 5.7519 8.9018 125.6868 58.3778 42.0806 173.6978 38 L 4.9907 8.1474 126.0812 54.3311 44.1609 174.8557 39 N 4.9284 8.6583 117.1832 52.9303 39.4965 176.4428 40 R 4.0187 8.8134 121.9525 59.4283 30.3251 179.1844 41 R 3.9737 8.8869 113.9391 58.5426 29.4125 176.9653 42 D 4.5494 7.8895 116.4163 54.0008 41.3629 175.6322 43 F 4.7128 7.8636 122.6615 56.3591 40.5278 174.6907 44 Q 3.9516 7.5994 127.1787 53.7837 29.4268 175.5446 45 V 2.8970 7.7833 123.8024 64.7673 33.0188 178.6632 46 K 3.7333 7.3081 115.7905 57.9388 31.5610 175.1801 47 N 4.8286 8.9364 124.0651 54.2067 38.3690 174.8645 48 S 4.8246 8.4071 116.3538 58.7196 64.4776 173.0842 49 I 4.7336 8.3285 123.1550 59.2369 39.5156 175.0099 50 E 3.6083 8.8551 127.5222 55.8994 30.3782 175.7296 51 N 4.8639 8.6110 124.8464 53.2837 39.7633 174.5106 52 G 3.7955 8.0778 103.7883 44.2899 0.0000 173.0858 53 R 4.9667 7.8625 116.7134 54.9468 32.3428 176.1963 54 Q 4.5239 9.0312 121.5387 54.7309 32.6721 173.3549 55 N 5.4884 8.8197 123.2499 52.2256 40.6852 174.0403 56 M 4.9717 8.9322 118.5978 53.8799 35.4755 173.7684 57 I 4.9982 8.3717 119.5705 59.8259 39.8678 175.0666 58 G 4.1954 9.0381 115.0178 44.0873 0.0000 173.1270 59 V 3.8439 8.2857 119.0512 63.0961 31.4835 175.7238 60 G 4.3654 8.8770 110.4080 45.0841 0.0000 174.1485 61 G 3.9561 6.6523 104.8837 45.5213 0.0000 171.6658 62 G 4.5291 8.6613 108.0555 44.6287 0.0000 172.4683 63 K 4.8772 8.7876 118.0211 54.8275 37.1845 175.3587 64 R 5.0436 8.6070 121.3934 54.7796 33.0023 174.4605 65 G 4.3390 9.1718 111.5438 45.1405 0.0000 170.7110 66 T 5.0573 8.5920 115.7667 61.7017 71.0824 174.1370 67 N 5.1978 9.2043 123.9893 52.8163 40.7736 173.8380 68 Y 5.1651 8.9803 118.9782 56.2761 42.6684 174.5938 69 I 4.8077 8.6396 116.1488 58.8159 41.5796 174.1791 70 N 4.6785 8.6029 117.0273 54.7800 36.9510 173.6531 71 V 4.5040 7.9765 117.2374 61.0712 33.9340 174.5788 72 H 4.3788 9.3192 125.4458 55.2766 29.8288 174.2196 73 L 5.2500 8.8992 124.1417 52.9373 44.3672 175.6866 74 E 4.9905 9.3549 125.5361 54.2980 32.2460 174.7185 75 I 4.1927 8.6448 128.5899 60.9860 38.2574 176.0383 76 R 4.9770 8.4379 126.1575 54.3289 30.2220 173.4852 77 D 4.9492 8.0611 122.0648 52.4412 44.5602 176.7095 78 E 4.0228 9.1556 122.3705 59.2892 29.6942 175.3001 79 N 4.5643 8.7648 114.2046 53.9968 38.8967 174.3265 80 Y 4.7382 7.6495 115.1940 55.3597 41.8786 175.0270 81 K 4.1365 8.5530 122.8305 56.5298 32.9661 176.3541 82 T 4.3058 8.2313 120.6965 61.9559 68.1908 173.6842 83 Q 4.4732 8.1450 126.1888 55.1114 33.3208 173.3586 *85 I 4.2794 8.3095 112.4800 61.8887 39.5428 174.3356 86 F 4.8952 8.9209 121.5942 56.4487 40.5012 175.6260 87 G 4.1226 9.0781 110.4485 44.5910 0.0000 170.7047 88 N 5.7683 8.9448 116.3065 51.8129 41.7634 174.7607 89 V 4.6641 8.5336 113.1489 60.0010 36.8687 173.5862 90 C 5.0864 9.0504 124.1285 57.6560 34.2012 172.5622 91 V 4.6968 8.8111 126.6483 61.3460 33.5918 174.3641 92 L 4.8391 8.5036 127.9385 53.3693 42.2456 177.6683 93 E 4.0027 9.0726 124.7316 58.6201 29.6727 177.5238 94 D 4.6408 8.1008 116.2606 52.4059 39.9227 175.6753 95 N 4.3723 7.9837 115.6770 54.6309 36.1585 174.7700 96 S 4.4933 7.8955 110.4783 58.4295 63.9111 174.2316 97 L 4.1514 8.1893 123.1814 54.8298 41.7614 177.3580 98 I 3.8991 8.3911 124.8424 64.0639 37.4640 176.2446 99 Q 4.5527 7.4650 118.2162 53.7312 32.0845 171.8656 100 P 4.6110 0.0000 0.0000 62.6332 32.9720 174.9927 101 L 5.2553 8.9341 123.3851 52.9480 44.7641 175.2223 102 L 4.0868 9.2250 127.1966 53.8366 43.3970 176.2828 103 G 4.2462 8.2836 114.9270 45.0199 0.0000 173.7918 104 R 4.0745 9.0046 118.7613 58.9717 29.6156 178.7840 105 D 4.3472 7.8372 118.7383 56.8342 38.7295 178.5311 106 N 4.3263 7.9375 116.5087 54.8188 39.0309 177.2204 107 M 4.2390 7.9452 120.3108 58.3240 31.8775 178.6197 108 I 3.6883 7.7480 119.9985 64.5630 37.1185 178.6987 109 K 3.9830 7.2096 114.7721 58.7153 31.8913 178.4973 110 F 4.6981 7.6586 115.3497 56.3633 39.9055 174.7322 111 N 4.1783 7.7323 115.9370 54.5206 37.4155 173.9541 112 I 4.3769 7.9750 117.9775 60.2881 38.7166 176.2048 113 R 4.7640 8.2351 122.2550 54.3700 33.9921 174.4699 114 L 4.6359 8.2715 119.4380 53.4459 43.2364 176.6303 115 V 4.4022 8.1200 120.9746 61.3241 34.4657 174.8312 116 M 4.2862 8.6805 125.2393 55.6816 32.2879 174.9598 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 6 T 8.16 4.28 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 0.88 0.00 0.00 7 T 8.38 4.45 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 8 T 8.21 4.51 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 9 T 8.40 4.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 L 8.20 4.65 0.00 1.73 1.71 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.21 4.04 0.00 2.08 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 0.00 2.28 2.28 0.00 12 K 7.14 4.70 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.37 7.81 13 R 8.51 3.88 0.00 1.81 1.91 0.00 3.21 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 14 P 0.00 4.58 0.00 2.16 2.27 0.00 3.68 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 2.26 2.02 0.00 15 E 8.73 5.30 0.00 1.89 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 2.35 2.30 0.00 16 I 8.51 4.71 1.56 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.14 0.81 0.00 0.00 17 L 9.32 4.88 0.00 1.77 1.60 0.97 1.07 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 18 I 8.89 5.04 2.28 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 1.16 0.00 0.00 19 F 9.83 4.65 0.00 3.10 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 20 V 9.23 4.61 2.25 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 1.25 0.00 0.00 1.27 0.00 0.00 21 N 10.00 4.48 0.00 2.89 2.86 0.00 0.00 7.18 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 22 G 8.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.75 4.70 0.00 2.86 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 24 P 0.00 4.01 0.00 1.71 1.07 0.00 3.61 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 25 I 8.55 4.38 1.37 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 1.18 0.91 0.13 0.00 0.00 26 K 8.48 4.66 0.00 1.70 1.64 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.46 7.81 27 F 9.23 4.87 0.00 2.95 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 28 L 9.00 4.86 0.00 1.76 1.72 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.93 4.40 0.00 1.64 1.62 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.26 4.96 0.00 2.73 2.79 0.00 0.00 6.56 8.00 0.00 0.00 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 T 8.82 4.07 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 1.22 0.00 0.00 32 G 8.23 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 33 A 7.74 4.70 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 34 D 8.96 4.60 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.36 5.33 1.86 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 1.35 1.44 0.90 0.00 0.00 36 T 8.46 4.49 4.34 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 1.11 0.00 0.00 37 I 8.90 5.75 1.88 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 0.93 2.03 0.94 0.00 0.00 38 L 8.15 4.99 0.00 1.67 1.78 1.00 0.31 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 39 N 8.66 4.93 0.00 2.76 3.09 0.00 0.00 6.46 7.66 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 40 R 8.81 4.02 0.00 2.02 1.96 0.00 3.21 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 41 R 8.89 3.97 0.00 1.88 2.09 0.00 3.08 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 42 D 7.89 4.55 0.00 2.80 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 43 F 7.86 4.71 0.00 2.85 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.60 3.95 0.00 1.73 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 45 V 7.78 2.90 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 1.16 0.00 0.00 0.68 0.00 0.00 46 K 7.31 3.73 0.00 1.81 0.78 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.33 1.34 7.81 47 N 8.94 4.83 0.00 2.81 2.94 0.00 0.00 6.81 7.57 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 48 S 8.41 4.82 0.00 4.09 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 49 I 8.33 4.73 1.92 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 1.20 0.80 0.96 0.00 0.00 50 E 8.86 3.61 0.00 1.85 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 1.93 1.82 0.00 51 N 8.61 4.86 0.00 2.63 2.61 0.00 0.00 7.43 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 52 G 8.08 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 53 R 7.86 4.97 0.00 1.68 1.84 0.00 3.29 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 54 Q 9.03 4.52 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 55 N 8.82 5.49 0.00 2.61 2.71 0.00 0.00 6.79 7.66 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 56 M 8.93 4.97 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 57 I 8.37 5.00 1.87 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 1.28 0.94 0.91 0.00 0.00 58 G 9.04 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 0.00 0.00 0.00 0.00 59 V 8.29 3.84 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 0.82 0.00 0.00 0.93 0.00 0.00 60 G 8.88 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 0.00 0.00 0.00 0.00 61 G 6.65 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 0.00 0.00 0.00 62 G 8.66 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.79 4.88 0.00 1.65 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.53 7.81 64 R 8.61 5.04 0.00 1.77 1.75 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 65 G 9.17 4.34 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 0.00 66 T 8.59 5.06 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 67 N 9.20 5.20 0.00 2.49 2.66 0.00 0.00 6.39 7.37 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 68 Y 8.98 5.17 0.00 2.84 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 69 I 8.64 4.81 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 1.00 0.00 0.00 70 N 8.60 4.68 0.00 2.96 3.08 0.00 0.00 6.83 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.98 4.50 2.29 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 1.16 0.00 0.00 1.16 0.00 0.00 72 H 9.32 4.38 0.00 3.11 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.90 5.25 0.00 1.53 1.84 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.35 4.99 0.00 2.02 1.83 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 2.16 2.43 0.00 75 I 8.64 4.19 1.87 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.31 0.80 0.00 0.00 76 R 8.44 4.98 0.00 1.73 1.88 0.00 3.22 0.00 0.00 3.06 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.20 0.00 77 D 8.06 4.95 0.00 2.87 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 78 E 9.16 4.02 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 2.24 1.92 0.00 79 N 8.76 4.56 0.00 2.68 2.47 0.00 0.00 6.83 7.03 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 80 Y 7.65 4.74 0.00 2.90 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 81 K 8.55 4.14 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 82 T 8.23 4.31 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 1.22 0.00 0.00 83 Q 8.14 4.47 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.36 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 *85 I 8.31 4.28 1.71 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.84 0.64 0.00 0.00 86 F 8.92 4.90 0.00 2.83 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 87 G 9.08 4.12 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 0.00 0.00 0.00 88 N 8.94 5.77 0.00 2.57 2.72 0.00 0.00 6.53 7.68 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 89 V 8.53 4.66 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 0.74 0.00 0.00 0.49 0.00 0.00 90 C 9.05 5.09 0.00 2.99 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 91 V 8.81 4.70 2.13 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 0.96 0.00 0.00 0.41 0.00 0.00 92 L 8.50 4.84 0.00 1.65 1.78 0.92 0.73 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 93 E 9.07 4.00 0.00 1.97 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 2.34 2.27 0.00 94 D 8.10 4.64 0.00 2.78 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 95 N 7.98 4.37 0.00 2.84 2.90 0.00 0.00 6.99 7.57 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 96 S 7.90 4.49 0.00 3.94 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 97 L 8.19 4.15 0.00 1.96 1.65 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.39 3.90 1.87 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 1.30 0.74 0.91 0.00 0.00 99 Q 7.46 4.55 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 100 P 0.00 4.61 0.00 1.57 1.54 0.00 3.60 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 1.79 1.95 0.00 101 L 8.93 5.26 0.00 1.65 1.60 0.95 0.33 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 0.00 102 L 9.23 4.09 0.00 1.34 1.44 0.39 0.73 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 0.00 103 G 8.28 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 0.00 0.00 0.00 104 R 9.00 4.07 0.00 1.82 1.99 0.00 3.16 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 105 D 7.84 4.35 0.00 2.84 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 0.00 106 N 7.94 4.33 0.00 2.66 2.74 0.00 0.00 7.09 7.66 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 0.00 107 M 7.95 4.24 0.00 2.12 2.13 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 2.84 2.60 0.00 108 I 7.75 3.69 1.83 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 1.52 1.52 0.89 0.00 0.00 109 K 7.21 3.98 0.00 1.54 1.60 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.51 7.81 110 F 7.66 4.70 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.73 4.18 0.00 2.86 2.93 0.00 0.00 7.11 9.27 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 0.00 112 I 7.97 4.38 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.94 0.00 0.00 113 R 8.24 4.76 0.00 1.76 1.79 0.00 3.21 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 114 L 8.27 4.64 0.00 1.64 1.59 0.93 0.82 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 0.00 115 V 8.12 4.40 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 0.81 0.00 0.00 0.95 0.00 0.00 116 M 8.68 4.29 0.00 1.98 1.88 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 2.47 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.