NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 D 4.5323 8.3601 120.1914 54.1124 42.1495 175.8687 22 A 4.0135 8.4350 128.6411 54.1197 18.5349 177.6754 23 H 4.1402 8.4429 115.2355 58.9570 29.0425 176.2997 24 V 3.6020 7.7285 118.3196 65.8257 31.6748 177.3897 25 L 4.0463 7.7906 119.5657 58.1106 42.2807 178.7001 26 K 3.9536 8.3029 119.7109 59.5641 31.8228 178.8062 27 S 4.2804 7.9735 114.5733 60.7287 62.8462 175.8052 28 R 4.1950 7.5702 118.8430 55.6736 30.6284 176.9037 29 L 3.3341 6.9004 120.9426 55.6686 41.9578 177.3938 30 E 4.4736 7.1557 117.8904 54.7729 30.0865 173.1571 31 W 5.1773 6.5582 115.6266 56.5907 30.9264 172.9064 32 G 4.0630 8.0568 105.1581 45.9457 0.0000 172.5873 33 E 4.4453 8.7479 118.7874 54.3917 30.6228 174.5885 34 P 4.3978 0.0000 0.0000 62.7649 31.6765 176.2400 35 A 4.5036 8.3862 121.2161 52.0830 19.6419 176.4289 36 F 5.5919 7.9569 113.2998 55.5073 41.5246 174.3715 37 T 4.7053 9.3135 116.4718 62.0535 72.5303 172.7595 38 I 4.9778 8.5516 126.6292 59.8326 39.6784 174.3162 39 L 4.6098 9.3512 127.6656 52.8692 44.3255 175.0196 40 D 3.7568 8.4683 123.9640 52.6822 41.8290 175.9193 41 V 4.0047 7.9790 119.3734 61.5631 32.4376 176.6985 42 R 4.5742 7.9922 121.8487 55.1899 31.7912 175.8677 43 D 4.4230 8.5007 119.2133 53.0738 40.3061 177.3239 44 R 3.8675 8.6590 120.4050 59.7502 29.7640 178.8303 45 S 4.1634 8.0494 112.4012 61.8184 63.1942 176.2338 46 T 4.0352 7.7423 118.3945 66.5153 68.2566 175.7929 47 Y 4.1679 8.0599 121.4604 61.1092 38.5533 178.1593 48 N 4.4623 8.4445 116.0550 55.8798 38.6836 176.0669 49 D 4.7317 8.4943 118.1282 53.0486 41.5735 174.9261 50 G 3.7998 6.0569 109.4079 44.3814 0.0000 172.3428 51 H 4.9907 8.1526 119.1105 54.1850 33.2063 177.6755 52 I 4.1257 8.6322 123.6886 61.7379 35.7861 180.1131 *54 G 3.8990 9.0801 120.6256 45.8712 0.0000 173.9883 55 A 4.8709 8.1383 121.1341 51.1336 19.6790 176.6559 *57 A 3.5749 8.4393 114.9389 51.4612 19.9036 175.2607 *59 P 4.2779 0.0000 0.0000 62.3012 32.8708 177.7334 60 I 3.5673 8.1979 123.9100 64.7480 37.3176 178.0926 61 E 3.8974 8.2539 118.9579 58.6381 29.5858 176.8459 62 D 4.8436 8.0082 115.4902 53.2612 42.1764 177.0575 63 L 3.7352 7.3964 122.0828 58.6733 41.7501 178.9532 64 V 3.6014 7.7499 116.8436 66.3308 31.5065 177.7611 65 D 4.3428 8.0106 117.6794 57.4155 40.6590 178.6452 66 R 3.8394 8.3784 119.3183 59.3323 30.1077 178.4412 67 A 3.9465 8.5064 120.8699 55.3852 18.1759 179.7892 68 S 4.3468 8.3599 113.0370 61.7284 62.9669 176.6974 69 S 4.3833 8.1291 116.0729 60.0212 63.1838 175.5396 70 S 4.6944 7.8288 115.4453 57.3230 64.1069 173.5179 71 L 4.9459 7.4527 121.3467 52.5773 45.4494 175.5822 72 E 4.4573 8.4178 117.6949 55.1940 30.9581 177.8365 73 K 3.4567 8.4846 120.2831 58.9497 32.1974 178.5465 74 S 4.4956 7.8932 111.1893 58.3173 63.7468 174.4080 75 R 3.8420 7.9422 122.5734 56.8671 30.2166 175.2694 76 D 4.6627 8.4828 124.8118 54.6475 41.9307 174.4640 77 I 5.0030 8.9936 127.9766 59.7474 39.9143 174.5101 78 Y 4.9947 9.1680 124.1545 56.1712 40.8483 174.9040 79 V 5.1255 8.9287 124.3828 61.4287 35.2721 173.8061 80 Y 5.1257 8.3596 122.9111 56.1674 41.4264 174.2602 81 G 4.1867 8.9629 111.9070 44.6413 0.0000 172.6213 82 A 4.3778 9.5491 123.0104 51.0085 17.9520 177.3521 83 G 4.0970 8.5029 108.2223 45.5624 0.0000 172.5063 84 D 4.4390 8.8102 121.3912 57.0854 40.7540 178.9764 85 E 4.0525 8.0624 120.9924 58.6987 29.7588 178.4415 86 Q 3.9787 8.0172 119.2423 59.2313 29.1808 177.9596 87 T 3.8594 7.9241 117.0768 66.7462 68.3068 176.6055 88 S 4.3595 8.4083 117.7903 61.0323 62.7978 176.3368 89 Q 3.9308 8.2424 122.7918 58.7488 28.7744 178.0818 90 A 3.9179 8.0214 121.8737 55.1018 18.4085 179.6145 91 V 3.4929 7.8325 116.7903 66.4719 31.4864 178.0805 92 N 4.3754 8.2117 116.0348 56.1185 38.1035 177.4655 93 L 4.0066 7.7823 119.8831 57.6839 41.9763 179.2981 94 L 4.2749 7.9718 118.9380 57.9375 41.5668 179.6987 95 R 4.2418 8.2692 118.4315 59.2737 29.8085 179.1431 96 S 4.2042 8.4023 112.7285 60.3666 63.1367 175.2883 97 A 4.4380 7.6970 122.9465 51.8685 19.0682 177.6395 98 G 3.8979 8.0662 105.3819 44.7158 0.0000 174.4843 99 F 4.1087 7.9138 118.9516 57.7349 39.2743 175.2665 100 E 4.0526 9.0186 126.0484 58.8251 29.7741 176.4632 101 H 4.8185 7.9642 114.8133 53.7144 31.3481 171.6110 102 V 4.7427 8.2104 121.4584 60.8656 34.1786 174.4940 103 S 4.7998 8.8931 123.3195 56.6721 66.9499 173.0809 104 E 4.5277 8.7226 122.4014 56.0076 31.2775 175.9613 105 L 4.9561 8.6703 124.9488 52.2028 40.9555 175.1176 106 K 3.9447 8.2959 120.3194 58.5593 33.0709 178.4284 107 G 3.9522 9.4247 110.3190 44.5660 0.0000 174.7282 108 G 3.8609 8.1202 109.5724 45.9696 0.0000 175.9658 109 L 3.8715 8.6757 118.3681 57.7015 41.5165 178.8267 110 A 3.9794 8.0472 119.8608 55.3330 18.0195 179.3126 111 A 3.9562 8.2292 119.1146 54.9289 18.3511 179.6900 112 W 4.0307 8.3308 126.7597 60.7613 30.8870 178.5682 113 K 3.8945 8.5605 118.2587 58.9809 31.1551 179.1994 114 A 4.0097 7.8605 121.1533 54.4985 18.3055 178.6447 115 I 4.1556 7.0174 108.2668 60.5323 37.9553 176.5645 116 G 3.6992 7.5903 107.6102 45.7260 0.0000 174.3350 117 G 2.1902 7.1266 108.9917 43.9599 0.0000 172.4795 118 P 4.4531 0.0000 0.0000 62.9309 32.0211 175.2073 119 T 5.0751 8.0069 109.9134 60.4906 72.5751 171.6997 120 E 4.7825 9.0345 118.7489 55.7524 33.4698 175.5323 121 L 4.0189 8.0191 119.4672 56.1515 40.0006 175.6052 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 21 D 8.36 4.53 0.00 2.66 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 22 A 8.43 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.44 4.14 0.00 3.38 3.33 0.00 5.63 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 24 V 7.73 3.60 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 25 L 7.79 4.05 0.00 1.79 1.78 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.30 3.95 0.00 1.99 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 27 S 7.97 4.28 0.00 4.06 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 28 R 7.57 4.20 0.00 1.80 1.86 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 29 L 6.90 3.33 0.00 1.52 1.19 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.16 4.47 0.00 1.97 1.79 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 0.00 2.14 1.84 0.00 31 W 6.56 5.18 0.00 3.29 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 32 G 8.06 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 0.00 0.00 0.00 0.00 33 E 8.75 4.45 0.00 2.07 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 2.34 2.40 0.00 34 P 0.00 4.40 0.00 2.11 2.06 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 35 A 8.39 4.50 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 36 F 7.96 5.59 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.31 4.71 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 1.21 0.00 0.00 38 I 8.55 4.98 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.96 0.00 0.00 39 L 9.35 4.61 0.00 1.43 1.41 0.73 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.47 3.76 0.00 2.55 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 41 V 7.98 4.00 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 0.51 0.00 0.00 0.86 0.00 0.00 42 R 7.99 4.57 0.00 1.87 1.88 0.00 3.10 0.00 0.00 3.65 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 43 D 8.50 4.42 0.00 2.82 2.79 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 0.00 0.00 0.00 0.00 44 R 8.66 3.87 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 45 S 8.05 4.16 0.00 4.09 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 46 T 7.74 4.04 4.52 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 1.27 0.00 0.00 47 Y 8.06 4.17 0.00 3.04 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 48 N 8.44 4.46 0.00 2.97 2.92 0.00 0.00 7.08 8.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.49 4.73 0.00 2.80 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 50 G 6.06 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 51 H 8.15 4.99 0.00 3.39 3.25 0.00 5.28 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.63 4.13 1.57 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.36 0.09 0.00 0.00 *54 G 9.08 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 55 A 8.14 4.87 1.51 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 0.00 0.00 *57 A 8.44 3.57 0.07 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 0.00 0.00 *59 P 0.00 4.28 0.00 2.04 1.96 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 60 I 8.20 3.57 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.89 0.00 0.00 61 E 8.25 3.90 0.00 1.90 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 2.27 2.33 0.00 62 D 8.01 4.84 0.00 2.68 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 63 L 7.40 3.74 0.00 1.76 1.71 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.75 3.60 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 1.17 0.00 0.00 0.95 0.00 0.00 65 D 8.01 4.34 0.00 2.72 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 66 R 8.38 3.84 0.00 1.87 1.87 0.00 3.00 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 67 A 8.51 3.95 1.17 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 0.00 0.00 68 S 8.36 4.35 0.00 3.96 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 69 S 8.13 4.38 0.00 4.05 4.07 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 70 S 7.83 4.69 0.00 3.98 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 71 L 7.45 4.95 0.00 1.96 1.75 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.42 4.46 0.00 2.12 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 2.49 2.31 0.00 73 K 8.48 3.46 0.00 1.63 1.61 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.21 1.09 7.81 74 S 7.89 4.50 0.00 4.05 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 75 R 7.94 3.84 0.00 2.20 2.09 0.00 3.35 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 76 D 8.48 4.66 0.00 2.77 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 77 I 8.99 5.00 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.80 0.00 0.00 78 Y 9.17 4.99 0.00 2.90 2.88 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 0.00 0.00 0.00 79 V 8.93 5.13 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 0.93 0.00 0.00 0.85 0.00 0.00 80 Y 8.36 5.13 0.00 3.09 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 81 G 8.96 4.19 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 0.00 82 A 9.55 4.38 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 83 G 8.50 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 84 D 8.81 4.44 0.00 2.72 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 85 E 8.06 4.05 0.00 2.04 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 2.38 2.23 0.00 86 Q 8.02 3.98 0.00 2.16 2.20 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 2.40 2.43 0.00 87 T 7.92 3.86 4.44 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 0.00 0.00 0.00 1.30 0.00 0.00 88 S 8.41 4.36 0.00 4.02 4.15 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 89 Q 8.24 3.93 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 90 A 8.02 3.92 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 91 V 7.83 3.49 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 1.09 0.00 0.00 0.98 0.00 0.00 92 N 8.21 4.38 0.00 2.79 2.85 0.00 0.00 7.08 6.90 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 93 L 7.78 4.01 0.00 1.79 1.73 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.97 4.27 0.00 1.80 1.58 0.64 0.40 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 95 R 8.27 4.24 0.00 1.87 2.00 0.00 3.13 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 96 S 8.40 4.20 0.00 4.01 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 97 A 7.70 4.44 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 98 G 8.07 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 99 F 7.91 4.11 0.00 3.13 3.02 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 0.00 100 E 9.02 4.05 0.00 1.82 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 2.27 2.36 0.00 101 H 7.96 4.82 0.00 3.19 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.21 4.74 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 0.73 0.00 0.00 0.95 0.00 0.00 103 S 8.89 4.80 0.00 3.35 3.65 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 0.00 104 E 8.72 4.53 0.00 1.96 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 2.38 2.35 0.00 105 L 8.67 4.96 0.00 1.81 1.69 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.30 3.94 0.00 1.90 1.90 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.52 7.81 107 G 9.42 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 0.00 0.00 0.00 108 G 8.12 3.86 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 0.00 0.00 0.00 0.00 109 L 8.68 3.87 0.00 1.74 1.77 0.97 0.78 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 0.00 110 A 8.05 3.98 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.23 3.96 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.33 4.03 0.00 3.38 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 0.00 113 K 8.56 3.89 0.00 1.84 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 114 A 7.86 4.01 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 0.00 115 I 7.02 4.16 1.68 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.22 0.81 0.00 0.00 116 G 7.59 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 0.00 117 G 7.13 2.19 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 0.00 118 P 0.00 4.45 0.00 2.29 2.11 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.07 0.00 119 T 8.01 5.08 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 1.42 0.00 0.00 120 E 9.03 4.78 0.00 1.93 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 1.94 2.14 0.00 121 L 8.02 4.02 0.00 1.68 1.52 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.