NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2684 8.4293 121.4749 56.1637 30.7546 175.5345 5 T 3.9798 8.3112 116.1197 60.7767 69.8361 172.6174 6 I 4.1609 7.9732 122.5258 59.3090 39.5594 176.8597 7 N 4.5260 8.6192 125.3420 52.5182 38.3615 174.4032 8 L 4.0293 8.4566 127.3411 57.6929 42.3591 179.9731 9 K 3.7959 8.1085 119.8447 59.3645 32.2627 177.4786 10 Q 4.2996 7.6479 114.3087 56.4541 29.8242 173.8711 11 H 4.4047 8.5868 117.5717 56.8555 27.1158 177.3241 12 L 3.8661 7.8032 118.0167 57.8490 41.0765 178.7311 13 A 3.8694 8.3905 121.8928 54.9982 18.3322 178.5523 14 A 4.0394 7.3337 117.5112 54.6400 18.6818 177.8700 15 I 3.7945 7.2622 117.5739 61.6405 36.9548 175.9368 16 K 4.4153 8.4809 123.5956 55.9324 32.7091 175.4762 17 E 4.4788 7.4055 117.0029 55.1662 33.5914 174.1270 18 Y 4.4006 8.3795 117.9328 57.2249 39.2801 175.3885 19 W 3.5084 8.3156 118.2332 57.5692 27.2913 175.1829 20 Q 4.4728 7.5993 117.1776 53.3116 29.5440 173.5110 21 P 4.7938 0.0000 0.0000 62.3502 33.0494 175.2599 22 E 4.4768 9.1723 123.7545 55.2206 30.9839 174.6585 23 I 4.8567 8.3347 127.9151 60.1974 39.0226 175.3068 24 I 4.7579 8.6024 126.3342 59.7026 41.1051 174.0849 25 N 5.5181 8.7115 123.0320 51.9691 41.7968 175.2417 26 R 4.3295 8.9229 119.7316 56.7806 34.0173 175.4338 27 H 3.7876 8.3805 124.0753 57.1429 27.8662 178.4168 28 G 3.5951 8.6906 117.1683 48.0660 0.0000 172.5358 29 F 4.6562 8.2754 120.0028 56.7536 40.7229 174.4746 30 Q 4.7029 9.0987 123.7122 54.2296 31.9975 174.0064 31 F 5.6490 9.0234 124.4294 56.2288 42.4769 173.7303 32 H 5.3159 9.5151 120.5535 54.1719 31.1585 173.4726 33 L 5.4426 8.6716 123.5722 53.1294 43.8034 175.8573 34 V 4.6790 8.6850 122.7607 61.2729 35.9255 173.3943 35 K 5.0135 8.3482 123.2031 54.5148 35.0373 174.9509 36 L 3.7023 8.8829 124.6250 52.5572 44.1208 175.3409 37 L 4.5833 7.6160 123.7913 54.3513 45.0972 177.7767 38 G 3.8812 9.0483 113.6978 45.9964 0.0000 171.9890 39 D 5.3602 8.5029 119.9830 52.0935 42.8871 174.5637 40 Y 4.3426 7.2382 115.0055 57.3253 39.0754 177.3296 41 G 3.7259 7.5734 109.6263 45.6707 0.0000 172.6601 42 W 4.7844 8.7377 120.9731 55.4507 30.9246 175.3698 43 H 5.0618 9.4126 123.4541 54.9056 34.1081 172.2219 44 T 4.8436 7.3702 117.4629 62.3600 72.8226 173.0394 45 H 4.6987 8.9884 124.8062 55.1717 28.9463 176.5328 46 G 3.4685 8.6766 114.0335 47.1763 0.0000 173.2201 47 Y 4.8638 7.7931 114.0920 57.2885 40.3287 175.2910 48 S 4.7990 7.8979 112.6068 56.2880 66.2474 173.8963 49 D 4.8905 8.8296 121.6339 55.2648 42.0933 175.4669 50 K 5.0720 8.7277 118.4071 55.0673 37.2962 175.2735 51 V 4.8381 8.5736 122.8261 61.3388 33.9398 174.3065 52 L 5.2765 9.4707 128.4201 52.9511 43.8239 175.5609 53 F 5.2022 9.3343 126.2121 56.5259 42.4288 173.8056 54 A 4.5713 8.7019 128.8531 50.5266 18.4770 177.3145 55 V 2.8514 8.1838 122.1520 65.7917 31.7021 176.5461 56 E 4.3472 8.0957 117.0169 56.4723 32.3142 174.3332 57 G 4.6402 7.5248 105.3940 43.0556 0.0000 171.0472 58 D 4.6046 8.2639 119.5168 53.1259 42.8537 175.1488 *60 A 4.2253 8.0129 120.0608 52.2273 20.4481 175.8070 61 V 4.6222 7.9950 118.1360 61.1110 34.5768 174.5715 62 D 4.9540 8.5582 127.8015 53.9679 42.4035 175.4837 63 F 5.5994 9.3767 119.1349 54.4548 42.4560 176.4369 64 A 3.9346 9.3404 123.4698 55.2577 18.2319 178.4929 65 D 4.5225 8.2613 112.9616 54.0750 39.9123 177.2930 66 G 4.0797 8.6430 109.6418 45.1130 0.0000 174.3435 67 G 3.7669 9.0668 110.1644 45.6201 0.0000 173.2934 68 S 5.8456 8.1755 116.5814 55.5530 65.2174 172.5970 *70 T 4.0493 8.1643 115.0879 63.6718 69.1068 173.6371 71 I 4.4334 8.1742 126.4591 59.5491 38.1294 175.6604 72 R 4.4142 10.0209 126.8012 54.6973 31.2863 175.9305 73 E 4.0729 8.4124 119.7004 57.5954 29.8400 176.4109 74 G 4.1770 8.9891 113.0372 46.8245 0.0000 173.4527 75 E 4.7990 7.6656 121.4269 54.5054 31.7884 174.8028 *77 A 4.4846 8.1585 121.0911 53.0166 20.5051 176.0957 78 V 4.6765 8.3016 117.9352 61.2530 34.7056 175.1689 79 V 4.5173 8.5573 124.9119 60.5146 34.2944 173.3391 80 P 5.5803 0.0000 0.0000 61.3387 32.6671 175.8778 81 K 4.0964 8.8833 120.9672 58.5606 32.8351 176.7281 82 S 3.7425 9.1960 116.4026 59.0352 60.9904 170.8371 83 V 4.3914 7.1664 120.6529 60.9435 32.4248 175.5760 84 S 4.9854 9.0536 123.7364 58.5483 63.6785 172.3540 85 H 4.9607 9.4447 121.0745 54.6985 32.3799 172.6777 86 R 4.4961 8.2278 120.6156 53.5010 31.5964 172.3606 87 P 4.9859 0.0000 0.0000 62.7267 32.3973 175.6572 88 R 4.9817 8.7950 117.6244 55.8196 33.0449 174.4082 89 S 4.3699 9.1045 115.1283 57.0878 65.0684 174.2174 90 E 3.8893 9.2449 128.7847 59.0743 29.5320 177.1058 91 N 4.7361 7.8937 111.7043 52.2121 39.9535 174.8205 92 G 4.0961 8.2685 108.4538 44.9786 0.0000 172.6975 93 C 4.8726 9.0490 122.9074 57.9293 35.7172 172.6030 94 S 4.7744 8.6009 122.0618 57.2363 64.3830 172.7394 95 L 5.0607 8.6385 126.6013 53.1273 45.5029 174.9453 96 V 4.8454 8.6837 125.9726 61.1631 33.8473 173.7822 97 L 5.2653 9.7396 131.2296 53.4759 44.4635 174.9192 98 I 5.2058 8.6533 126.2491 59.8029 40.6393 174.1588 99 E 4.9842 8.9695 125.2234 54.9932 33.7744 173.7001 100 L 4.5571 8.3396 127.9148 54.4034 44.8842 176.5613 101 S 4.3425 8.4851 124.3588 58.8019 61.6092 170.7989 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 4 E 8.43 4.27 0.00 1.94 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 0.00 2.20 2.37 0.00 5 T 8.31 3.98 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 1.20 0.00 0.00 6 I 7.97 4.16 1.63 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 1.18 0.70 0.58 0.00 0.00 7 N 8.62 4.53 0.00 2.65 2.78 0.00 0.00 7.26 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 8 L 8.46 4.03 0.00 1.75 1.66 0.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.11 3.80 0.00 1.75 1.77 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.34 7.81 10 Q 7.65 4.30 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 5.82 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 11 H 8.59 4.40 0.00 3.46 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.80 3.87 0.00 1.83 1.85 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.39 3.87 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 14 A 7.33 4.04 1.18 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 0.00 0.00 15 I 7.26 3.79 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.82 0.00 0.00 16 K 8.48 4.42 0.00 1.63 1.73 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.41 7.81 17 E 7.41 4.48 0.00 1.85 1.80 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 2.24 2.29 0.00 18 Y 8.38 4.40 0.00 3.27 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.32 3.51 0.00 3.02 2.59 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 20 Q 7.60 4.47 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 21 P 0.00 4.79 0.00 2.15 2.09 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 22 E 9.17 4.48 0.00 2.03 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 2.26 2.28 0.00 23 I 8.33 4.86 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.86 0.00 0.00 24 I 8.60 4.76 2.07 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 1.02 0.00 0.00 25 N 8.71 5.52 0.00 2.57 2.72 0.00 0.00 6.87 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 26 R 8.92 4.33 0.00 2.05 2.01 0.00 3.65 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 27 H 8.38 3.79 0.00 3.41 2.74 0.00 5.89 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 28 G 8.69 3.60 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 0.00 29 F 8.28 4.66 0.00 2.93 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 0.00 0.00 0.00 30 Q 9.10 4.70 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.51 0.00 31 F 9.02 5.65 0.00 2.91 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 32 H 9.52 5.32 0.00 3.07 3.26 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.67 5.44 0.00 1.63 1.53 0.91 0.29 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 34 V 8.68 4.68 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 0.86 0.00 0.00 0.92 0.00 0.00 35 K 8.35 5.01 0.00 1.42 1.57 0.00 1.37 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.25 7.81 36 L 8.88 3.70 0.00 1.22 1.14 0.07 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.62 4.58 0.00 0.27 0.77 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.05 3.88 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 0.00 0.00 0.00 39 D 8.50 5.36 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.24 4.34 0.00 1.77 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 41 G 7.57 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.74 4.78 0.00 3.15 3.18 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 43 H 9.41 5.06 0.00 3.03 2.94 0.00 5.55 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 44 T 7.37 4.84 4.13 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 1.14 0.00 0.00 45 H 8.99 4.70 0.00 3.26 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.68 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.79 4.86 0.00 2.90 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 48 S 7.90 4.80 0.00 3.83 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 49 D 8.83 4.89 0.00 2.72 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 50 K 8.73 5.07 0.00 1.64 1.61 0.00 1.12 0.00 0.00 1.39 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.32 7.81 51 V 8.57 4.84 2.17 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 1.07 0.00 0.00 0.99 0.00 0.00 52 L 9.47 5.28 0.00 1.49 1.61 0.95 0.76 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 53 F 9.33 5.20 0.00 2.94 2.84 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 0.00 0.00 0.00 0.00 54 A 8.70 4.57 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 55 V 8.18 2.85 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 0.53 0.00 0.00 0.25 0.00 0.00 56 E 8.10 4.35 0.00 1.80 1.76 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 2.12 2.22 0.00 57 G 7.52 4.64 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 0.00 0.00 0.00 58 D 8.26 4.60 0.00 2.66 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 *60 A 8.01 4.23 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 61 V 7.99 4.62 1.67 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 0.60 0.00 0.00 0.89 0.00 0.00 62 D 8.56 4.95 0.00 2.08 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 63 F 9.38 5.60 0.00 3.26 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 64 A 9.34 3.93 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 65 D 8.26 4.52 0.00 2.82 2.84 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 0.00 0.00 0.00 0.00 66 G 8.64 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 67 G 9.07 3.77 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 0.00 0.00 0.00 68 S 8.18 5.85 0.00 3.89 3.85 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 *70 T 8.16 4.05 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 1.23 0.00 0.00 71 I 8.17 4.43 1.89 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 1.47 0.65 0.97 0.00 0.00 72 R 10.02 4.41 0.00 1.79 1.88 0.00 3.14 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 73 E 8.41 4.07 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 2.27 2.31 0.00 74 G 8.99 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 0.00 0.00 0.00 75 E 7.67 4.80 0.00 2.19 1.93 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 2.27 2.26 0.00 *77 A 8.16 4.48 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 78 V 8.30 4.68 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 0.89 0.00 0.00 0.96 0.00 0.00 79 V 8.56 4.52 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 0.84 0.00 0.00 0.98 0.00 0.00 80 P 0.00 5.58 0.00 2.15 2.04 0.00 4.07 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.95 0.00 81 K 8.88 4.10 0.00 1.75 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.51 7.81 82 S 9.20 3.74 0.00 3.99 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 83 V 7.17 4.39 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 1.07 0.00 0.00 1.02 0.00 0.00 84 S 9.05 4.99 0.00 4.03 3.88 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 85 H 9.44 4.96 0.00 2.77 3.15 0.00 5.26 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.23 4.50 0.00 0.67 0.66 0.00 2.99 0.00 0.00 2.61 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.12 0.00 87 P 0.00 4.99 0.00 2.20 2.07 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 88 R 8.79 4.98 0.00 1.92 1.91 0.00 3.02 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 89 S 9.10 4.37 0.00 3.79 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 90 E 9.24 3.89 0.00 1.96 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 2.29 2.33 0.00 91 N 7.89 4.74 0.00 2.71 2.79 0.00 0.00 7.10 7.65 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 92 G 8.27 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 93 C 9.05 4.87 0.00 3.09 2.59 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 94 S 8.60 4.77 0.00 3.69 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 95 L 8.64 5.06 0.00 1.63 1.49 1.02 0.38 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 96 V 8.68 4.85 2.27 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 1.07 0.00 0.00 0.92 0.00 0.00 97 L 9.74 5.27 0.00 1.74 1.59 1.00 0.86 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 98 I 8.65 5.21 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.84 1.14 0.00 0.00 99 E 8.97 4.98 0.00 2.00 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 2.16 2.24 0.00 100 L 8.34 4.56 0.00 1.01 1.25 -0.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.49 4.34 0.00 3.43 3.63 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 * Residues marked with a * may have inaccurate shift predictions.