NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3683 0.0000 0.0000 62.7051 32.6259 176.3687 2 T 3.7098 8.3359 117.3815 64.7431 68.8517 171.8448 *4 E 4.2922 8.0072 120.1531 55.6024 31.8642 175.0121 5 G 3.5479 6.7441 110.4513 45.2105 0.0000 169.6164 6 P 4.7502 0.0000 0.0000 62.1125 32.1875 175.7254 7 L 4.9906 8.8400 123.5545 52.8749 46.3692 175.4327 8 R 5.1950 8.6693 120.3337 54.5800 32.9376 175.1375 9 R 4.9061 9.2903 123.2751 54.2961 33.5464 174.0191 10 K 4.7067 8.5093 126.0911 53.6316 35.2015 174.7281 11 T 4.4114 8.3479 123.9855 62.9656 68.8254 174.4456 12 L 4.3068 8.6663 126.8004 56.1102 43.7865 176.8631 13 L 4.8006 7.1582 117.1705 53.0562 46.6115 175.4130 14 K 4.5732 8.6561 123.7364 55.6056 34.5789 175.9218 15 E 3.5350 10.6084 126.8739 57.5309 27.4585 175.8949 16 G 3.9285 8.5974 105.9991 45.3246 0.0000 174.3525 17 R 4.6454 7.5599 115.5811 53.5519 32.4021 174.9735 18 K 4.4803 8.2775 118.7929 55.0902 32.6901 175.6650 19 P 4.3650 0.0000 0.0000 62.0431 32.1375 176.3672 20 A 4.0898 8.6887 123.8160 54.7229 18.3513 178.2415 21 L 4.6249 7.7067 114.3196 52.9658 44.2760 176.6380 22 S 4.6062 8.5112 119.5888 56.3657 63.2948 173.3643 23 S 4.6175 7.9722 122.3443 56.4967 66.3666 173.1926 24 W 4.8408 8.4517 119.8268 56.7742 30.0098 176.2515 25 T 4.6831 8.9450 119.2636 61.7817 71.7620 173.3895 26 R 4.6104 8.5289 125.0040 56.2400 31.1566 175.3967 27 Y 5.2701 9.1438 119.9356 56.5259 43.5132 173.3975 28 W 4.4861 9.1462 131.4815 55.6495 32.9193 174.7745 29 V 4.8029 8.0216 127.0843 60.9675 34.0100 174.1756 30 V 4.7270 8.8408 127.1715 60.9993 34.6426 173.6775 31 L 4.9131 8.5292 129.7153 53.6332 43.9032 174.7465 32 S 4.6798 8.9546 122.8494 56.1076 64.6914 174.8012 33 G 3.8658 9.0336 118.8668 47.1266 0.0000 173.1393 34 A 4.7195 8.6900 125.0631 51.4417 20.3730 174.8800 35 T 4.8730 8.1808 115.7021 63.1902 71.6464 173.3165 36 L 4.8647 8.8996 126.3080 53.2649 43.7967 175.3824 37 L 5.0898 8.8180 123.9234 53.0890 44.7021 174.8883 38 Y 5.0409 8.7587 121.0260 56.3703 40.8212 174.1672 39 Y 5.0539 9.5115 122.5178 56.0122 40.6404 176.0609 40 G 4.4148 9.1394 111.4599 45.8470 0.0000 172.3473 41 A 4.5658 8.6022 122.1224 51.8903 18.6273 177.9827 42 K 4.2094 8.7038 120.1699 57.5913 33.0545 176.7081 43 S 4.6684 7.3450 110.9226 57.0465 65.5599 172.9320 44 L 4.3979 8.3906 118.0459 55.5767 42.0902 176.4737 45 R 4.5281 7.7589 116.7033 55.1373 33.2965 173.2711 46 G 3.7648 8.2988 110.6465 44.4105 0.0000 173.7988 47 T 5.0661 8.5820 111.5099 61.2095 69.8979 173.7229 48 D 4.8416 8.2713 122.2216 53.6973 42.1897 177.1014 49 R 2.5841 8.2074 121.4310 58.9785 29.8895 178.7956 50 K 3.9657 7.6230 115.0648 59.3755 32.7379 176.9996 51 H 4.5121 8.1579 116.4378 56.2826 28.8250 174.1374 52 Y 5.1837 7.5134 116.7792 55.4596 41.1980 175.5739 53 K 4.3018 8.9767 121.9175 56.9855 32.7102 177.6805 54 S 4.3929 8.6327 116.0586 60.0473 63.4235 174.6174 55 T 4.7534 7.8375 114.5329 59.0616 68.8880 171.9268 56 P 3.9899 0.0000 0.0000 62.7603 31.8580 176.3696 57 G 4.0134 8.7615 108.5431 47.2824 0.0000 173.7430 58 K 4.8040 7.6257 118.8425 54.8607 37.0168 175.1734 59 K 4.9581 8.4443 123.6789 55.0462 35.2346 175.4616 60 V 4.3971 8.9429 127.4070 61.1001 34.8418 174.1223 61 S 4.6352 8.7718 123.3054 57.4628 63.3464 173.6290 62 I 2.8507 8.3084 120.2047 59.8152 37.6202 175.3103 63 V 3.8071 7.0515 120.1683 65.0032 31.4812 176.5459 64 G 4.1976 9.0708 115.3729 45.5536 0.0000 174.8676 65 W 4.7062 7.9952 127.4777 56.3989 27.9966 177.1411 *67 V 4.3740 8.1364 125.7757 62.9183 31.9391 174.9171 68 Q 4.7684 9.4280 121.0101 54.2314 33.3450 174.3445 69 L 5.1091 8.4179 121.9937 52.3345 43.0932 175.0217 70 P 4.2600 0.0000 0.0000 63.5672 31.9379 175.6157 71 D 4.1993 7.9011 118.0195 55.5307 39.5665 173.6133 72 D 4.8444 7.6007 118.5236 51.6732 42.2174 174.4043 73 P 4.3902 0.0000 0.0000 65.1752 31.5246 177.4135 74 E 4.0576 8.5166 119.9713 58.8372 30.2543 176.5008 75 H 4.9397 8.3068 115.6736 52.9454 29.4150 171.9723 76 P 4.4571 0.0000 0.0000 64.8440 32.0030 178.0474 77 D 5.3344 8.0878 118.2630 53.2664 40.5178 175.7000 78 I 5.7567 7.6626 117.9895 59.8249 39.5795 175.0397 79 F 5.2986 8.2557 118.3006 55.4261 41.8979 172.8100 80 Q 5.3227 9.5699 121.1517 54.3796 32.2642 173.8237 81 L 5.4614 9.6832 127.1603 53.5388 45.3323 174.7992 82 N 5.6064 9.0101 122.3393 51.2944 42.5011 173.9505 83 N 3.1400 8.1208 120.2593 50.8475 38.7509 174.2361 84 P 4.1072 0.0000 0.0000 65.7728 31.2483 177.3415 85 D 4.5515 7.8669 113.5506 52.4731 39.4999 176.0405 86 K 3.7319 7.7811 117.2610 57.7216 30.3542 176.4712 87 G 3.7400 8.4354 108.4944 47.4871 0.0000 173.8439 88 N 5.3211 8.4468 118.7387 51.2746 41.1294 174.1549 89 V 4.6911 8.2083 123.8479 61.2007 35.2097 173.8622 90 Y 5.1736 9.3600 124.2586 56.2216 42.4199 174.3545 91 K 5.1738 8.7295 121.0711 54.8159 35.7097 175.2719 92 F 5.3198 8.9722 121.1245 55.8368 43.0136 173.8116 93 Q 5.0474 9.0067 122.2079 54.4741 30.5659 176.1629 94 T 4.3335 8.9675 112.6579 61.3078 69.7996 175.0570 95 G 4.0882 10.4524 111.0401 45.7432 0.0000 174.1984 96 S 4.7069 7.8693 112.6137 55.9928 67.2065 175.3504 97 R 4.3315 8.6383 124.8057 59.0561 29.8262 178.5066 98 F 4.0228 8.3576 119.9152 61.9236 39.3955 176.8079 99 H 4.0902 8.6725 115.3460 58.5140 28.3726 177.7435 100 A 4.3276 8.2802 122.9935 55.3160 18.2699 179.7437 101 I 3.5737 7.9995 118.6435 64.2140 37.2520 178.4632 102 L 3.5778 7.6353 121.2369 57.8819 41.8904 179.0701 103 W 3.7983 8.3856 119.2956 59.8182 28.8879 177.8922 104 H 3.7525 8.2113 118.3228 58.9029 29.2305 177.0548 105 K 3.6865 7.8429 121.2181 60.0452 32.0378 178.5690 106 H 4.1800 7.6771 115.8347 58.6488 28.5367 177.9449 107 L 3.9272 8.2255 121.4610 57.5908 41.5609 178.8225 108 D 4.2760 8.2792 118.4593 57.4029 40.8744 178.0744 109 D 4.2997 7.7992 117.9669 57.3238 41.1323 178.3582 110 A 4.0922 7.8979 121.1439 55.4782 18.3483 179.4718 111 C 4.3969 8.6398 115.5174 62.3640 27.9434 175.4898 112 K 4.5634 7.5810 117.0631 55.3082 32.2171 176.9516 113 S 4.4046 7.2220 114.9489 57.7121 63.9441 173.5817 114 S 4.6011 8.1928 116.3241 56.7010 64.0834 174.1935 115 R 4.0948 8.4231 124.2863 57.1790 30.0971 173.3924 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 P 0.00 4.37 0.00 2.03 2.05 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 2 T 8.34 3.71 4.16 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 0.89 0.00 0.00 *4 E 8.01 4.29 0.00 1.99 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 0.00 2.31 2.37 0.00 5 G 6.74 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 6 P 0.00 4.75 0.00 2.20 2.47 0.00 3.57 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 7 L 8.84 4.99 0.00 1.50 1.57 -0.59 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.67 5.20 0.00 1.58 1.94 0.00 3.09 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 9 R 9.29 4.91 0.00 1.75 1.80 0.00 2.33 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 10 K 8.51 4.71 0.00 0.79 0.74 0.00 0.92 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.55 7.81 11 T 8.35 4.41 4.16 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 0.99 0.00 0.00 12 L 8.67 4.31 0.00 1.50 1.55 0.84 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.16 4.80 0.00 1.33 1.52 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.66 4.57 0.00 1.61 1.52 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.38 7.81 15 E 10.61 3.54 0.00 2.05 1.97 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 2.23 2.22 0.00 16 G 8.60 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 17 R 7.56 4.65 0.00 1.92 1.94 0.00 2.74 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 18 K 8.28 4.48 0.00 1.71 1.71 0.00 1.75 0.00 0.00 2.30 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.36 7.81 19 P 0.00 4.37 0.00 1.95 1.92 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 20 A 8.69 4.09 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 21 L 7.71 4.62 0.00 1.55 1.51 0.90 0.77 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 22 S 8.51 4.61 0.00 3.71 3.75 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 0.00 0.00 0.00 0.00 23 S 7.97 4.62 0.00 3.89 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 24 W 8.45 4.84 0.00 3.20 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 25 T 8.95 4.68 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 0.67 0.00 0.00 26 R 8.53 4.61 0.00 1.78 2.14 0.00 3.22 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 27 Y 9.14 5.27 0.00 2.96 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 28 W 9.15 4.49 0.00 2.93 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 29 V 8.02 4.80 1.63 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 0.42 0.00 0.00 0.61 0.00 0.00 30 V 8.84 4.73 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 1.05 0.00 0.00 1.33 0.00 0.00 31 L 8.53 4.91 0.00 1.85 1.39 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.95 4.68 0.00 3.89 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 33 G 9.03 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 0.00 0.00 0.00 34 A 8.69 4.72 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 35 T 8.18 4.87 4.31 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 1.21 0.00 0.00 36 L 8.90 4.86 0.00 1.36 1.06 0.68 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.82 5.09 0.00 1.59 1.34 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.76 5.04 0.00 2.53 2.42 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 39 Y 9.51 5.05 0.00 3.23 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 40 G 9.14 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.60 4.57 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 42 K 8.70 4.21 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.25 7.81 43 S 7.34 4.67 0.00 3.85 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 44 L 8.39 4.40 0.00 1.62 1.73 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.76 4.53 0.00 1.71 1.66 0.00 3.22 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 46 G 8.30 3.76 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 0.00 0.00 0.00 47 T 8.58 5.07 4.49 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 1.37 0.00 0.00 48 D 8.27 4.84 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 2.58 0.00 0.72 1.43 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.16 0.00 50 K 7.62 3.97 0.00 1.78 1.78 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 1.17 7.81 51 H 8.16 4.51 0.00 3.08 2.96 0.00 5.57 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 52 Y 7.51 5.18 0.00 3.12 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 53 K 8.98 4.30 0.00 1.97 1.92 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.66 7.81 54 S 8.63 4.39 0.00 3.91 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 55 T 7.84 4.75 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 56 P 0.00 3.99 0.00 1.91 1.09 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 57 G 8.76 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 0.00 0.00 0.00 58 K 7.63 4.80 0.00 1.39 1.41 0.00 0.64 0.00 0.00 1.16 0.00 0.00 2.56 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.28 7.81 59 K 8.44 4.96 0.00 1.67 1.62 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.40 7.81 60 V 8.94 4.40 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 0.50 0.00 0.00 0.92 0.00 0.00 61 S 8.77 4.64 0.00 3.88 3.71 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 62 I 8.31 2.85 1.38 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 1.10 0.55 -0.01 0.00 0.00 63 V 7.05 3.81 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 0.85 0.00 0.00 0.92 0.00 0.00 64 G 9.07 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 65 W 8.00 4.71 0.00 3.42 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 *67 V 8.14 4.37 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 0.67 0.00 0.00 1.00 0.00 0.00 68 Q 9.43 4.77 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 69 L 8.42 5.11 0.00 1.38 1.57 0.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.26 0.00 2.24 2.25 0.00 4.17 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 2.07 2.05 0.00 71 D 7.90 4.20 0.00 2.77 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 72 D 7.60 4.84 0.00 2.75 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 73 P 0.00 4.39 0.00 2.22 2.19 0.00 3.84 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 2.00 1.97 0.00 74 E 8.52 4.06 0.00 1.92 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 0.00 1.81 2.14 0.00 75 H 8.31 4.94 0.00 3.24 3.19 0.00 5.68 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 76 P 0.00 4.46 0.00 2.26 2.34 0.00 3.68 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 77 D 8.09 5.33 0.00 2.85 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 78 I 7.66 5.76 1.96 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 1.07 0.68 1.06 0.00 0.00 79 F 8.26 5.30 0.00 3.28 3.15 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 0.00 80 Q 9.57 5.32 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 81 L 9.68 5.46 0.00 2.28 2.15 1.22 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 82 N 9.01 5.61 0.00 2.53 2.56 0.00 0.00 7.09 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 83 N 8.12 3.14 0.00 1.60 1.42 0.00 0.00 6.89 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 84 P 0.00 4.11 0.00 2.00 2.16 0.00 3.36 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 85 D 7.87 4.55 0.00 2.72 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 86 K 7.78 3.73 0.00 1.84 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.29 7.81 87 G 8.44 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 88 N 8.45 5.32 0.00 2.45 2.64 0.00 0.00 6.23 7.20 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 89 V 8.21 4.69 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 1.05 0.00 0.00 0.79 0.00 0.00 90 Y 9.36 5.17 0.00 2.99 2.49 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 91 K 8.73 5.17 0.00 1.57 1.92 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.39 7.81 92 F 8.97 5.32 0.00 1.51 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 0.00 0.00 0.00 93 Q 9.01 5.05 0.00 1.43 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 94 T 8.97 4.33 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 1.43 0.00 0.00 95 G 10.45 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 0.00 0.00 0.00 0.00 96 S 7.87 4.71 0.00 4.20 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 97 R 8.64 4.33 0.00 2.08 2.06 0.00 3.37 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 98 F 8.36 4.02 0.00 3.24 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 99 H 8.67 4.09 0.00 3.44 3.65 0.00 5.67 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 0.00 100 A 8.28 4.33 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.00 3.57 1.76 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 1.36 0.93 0.76 0.00 0.00 102 L 7.64 3.58 0.00 1.08 1.44 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.39 3.80 0.00 3.22 2.52 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 0.00 104 H 8.21 3.75 0.00 3.10 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.84 3.69 0.00 1.77 1.69 0.00 1.43 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.13 7.81 106 H 7.68 4.18 0.00 2.99 3.10 0.00 5.67 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 0.00 107 L 8.23 3.93 0.00 1.48 1.60 0.42 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.28 4.28 0.00 2.57 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 0.00 109 D 7.80 4.30 0.00 2.81 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 0.00 110 A 7.90 4.09 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 0.00 111 C 8.64 4.40 0.00 3.11 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 0.00 112 K 7.58 4.56 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.51 7.81 113 S 7.22 4.40 0.00 3.98 3.95 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 0.00 114 S 8.19 4.60 0.00 4.00 3.92 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 0.00 115 R 8.42 4.09 0.00 1.79 1.81 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.