NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.0997 8.3331 119.6837 54.2856 31.1294 175.8932 9 G 3.6318 7.9218 105.9959 44.1444 0.0000 170.1758 10 I 4.3661 8.3501 120.4264 60.3574 39.4270 173.7573 11 L 4.6963 8.7866 129.7202 53.7836 43.1880 175.3423 12 S 5.3690 8.6570 120.7239 56.7822 66.2956 173.7502 13 L 4.4683 8.6654 122.9875 54.1829 45.1006 174.1020 14 A 5.0190 8.7117 128.9171 50.3193 20.7710 175.5548 15 L 4.4313 9.0797 124.1710 53.0593 42.6907 177.5285 16 K 3.8516 8.9327 126.6426 59.0428 32.3950 175.7770 17 D 4.8183 7.5967 115.5598 50.5879 42.6270 175.9003 18 K 4.0558 8.6590 117.7600 59.1613 31.7638 179.3086 19 A 4.0015 7.6597 120.9401 55.3331 18.3124 179.5961 20 A 4.0411 8.5175 119.5843 54.9107 18.4893 179.4557 21 L 3.8976 7.9650 118.4577 58.6476 42.0160 178.3044 22 Y 4.1028 8.2033 118.3300 60.8941 38.7731 177.8370 23 S 4.2647 8.1508 112.6001 61.4181 62.7680 175.6238 24 A 4.3309 8.1617 123.3311 56.5502 18.5564 177.7107 25 Y 4.1431 8.0560 117.9561 56.8937 41.2913 172.9834 *27 P 3.8548 0.0000 0.0000 62.6253 33.1823 177.4919 28 F 4.2716 7.4203 111.8698 58.0805 38.5121 175.6668 29 V 3.5640 6.3832 122.5028 61.8948 31.9726 175.2680 30 K 4.1221 8.3436 126.0787 57.9456 32.3735 177.0736 31 S 3.6414 9.4287 116.3408 58.3354 61.0464 169.1570 32 G 3.8145 7.9524 116.3199 44.8395 0.0000 173.4624 33 G 3.3583 6.8719 109.4244 46.6213 0.0000 171.1199 34 I 4.3536 7.2388 116.9307 60.5479 42.3833 174.0356 35 F 4.9014 9.3559 132.7749 57.5191 40.4585 174.7702 36 V 4.2113 7.8878 126.3791 60.1913 33.6977 172.9071 37 P 4.8794 0.0000 0.0000 62.4520 32.0063 176.0543 38 T 4.2117 8.0254 114.0784 61.0853 69.9122 170.6877 39 P 4.6911 0.0000 0.0000 62.5426 31.8017 175.6764 40 K 4.2603 8.3373 119.5807 56.6004 32.6491 176.2040 41 R 4.7311 8.1789 118.5512 54.8958 32.5712 174.9216 42 Y 4.7704 8.2671 122.8420 56.8261 40.1961 174.4214 *44 L 4.0218 8.4499 122.2087 56.9864 42.8089 177.1634 45 G 4.0337 9.0568 112.1624 45.1481 0.0000 173.5053 46 D 4.6207 7.9046 119.1810 54.9490 42.2176 175.5217 47 E 4.7771 8.7242 120.6712 56.0138 30.6389 176.1790 48 V 4.5410 9.0347 124.4937 60.9988 35.1239 173.8620 49 F 4.9976 8.9563 130.0994 57.1652 40.8706 173.7181 50 L 5.1713 8.5100 128.9364 53.0926 45.1391 174.6339 51 L 4.7888 8.8061 128.9021 53.7726 43.5809 174.6403 52 L 5.0194 8.7926 129.6262 53.6183 44.7604 175.0189 53 T 4.6937 9.0644 124.1454 61.8411 70.1551 174.4078 54 L 4.4267 8.3906 127.1573 53.6967 43.0832 175.0416 55 P 4.6643 0.0000 0.0000 63.1220 32.0339 176.1692 56 D 4.2806 8.3432 121.9206 54.3353 38.5410 173.6023 57 S 4.6547 7.6960 113.7670 58.2964 64.0114 173.3060 58 S 4.7321 8.5116 118.7381 57.6944 63.1962 173.4140 59 E 4.6999 7.6597 116.5111 54.7261 32.1805 175.0845 60 R 4.6374 8.4580 119.0562 54.6560 32.3175 175.6628 61 L 4.4906 8.7613 126.2157 52.5656 42.6703 174.2612 62 P 4.6851 0.0000 0.0000 62.2904 32.7908 176.2236 63 V 4.0618 8.2977 115.7449 59.4894 34.9271 175.1060 64 A 4.2004 8.6840 128.9623 51.2225 17.1122 176.4448 65 G 4.1106 9.0098 110.3746 44.4798 0.0000 169.2538 66 K 5.1718 8.4913 120.0920 54.2255 35.5720 175.4198 67 V 4.2299 9.1319 127.7992 63.2124 31.9763 176.3418 68 V 4.5205 8.3925 120.7672 60.6526 33.2409 175.7902 69 W 4.5500 7.5791 127.5125 56.7467 33.7693 172.9179 70 T 4.8831 8.1090 116.6255 60.3373 71.4406 174.2171 71 T 4.4763 8.8610 119.9736 61.3034 71.7346 172.8926 72 P 4.1583 0.0000 0.0000 63.3265 31.1895 174.7767 73 A 3.8030 8.0652 120.2540 51.6377 18.2400 176.6171 *79 R 4.0919 8.0271 123.6397 57.0017 30.9730 174.7788 80 A 4.4174 8.4248 118.6850 51.2153 19.7338 177.4283 81 A 4.4741 8.4321 122.2575 52.4135 19.4462 178.8281 82 G 3.6918 7.3458 106.7434 44.3578 0.0000 172.1963 83 I 5.0127 6.9161 112.7988 59.0017 41.5341 174.8007 84 G 4.3895 9.3247 112.4196 45.6119 0.0000 172.6895 85 V 4.7695 8.6388 127.3630 60.9698 33.6743 174.4653 86 Q 4.2713 8.8074 130.4711 55.4773 30.1832 175.2699 87 F 5.1194 8.5812 125.8591 56.7817 39.6729 173.7925 88 P 4.5374 0.0000 0.0000 62.0247 32.1612 175.4389 89 D 4.3312 8.4694 119.4123 55.6305 41.3574 175.3434 90 G 3.7655 8.9971 108.6118 43.6997 0.0000 171.7906 91 P 4.2912 0.0000 0.0000 66.5350 31.1835 179.1709 92 E 4.0830 8.2199 116.5622 60.8991 29.6320 181.1088 93 G 3.9339 7.8865 107.3364 47.3212 0.0000 175.4531 94 E 4.0411 8.3959 122.0366 58.5719 29.5163 178.7643 95 A 3.9453 7.8499 121.1879 55.0843 18.4387 179.8235 96 V 3.3853 7.2897 115.4061 65.9854 31.4588 178.2829 97 R 4.0876 8.0333 118.5714 59.3760 29.9238 178.2209 98 N 4.2810 8.2685 116.3154 56.2703 38.6103 177.0741 99 K 3.7816 8.0347 119.8624 59.8407 32.0000 179.0919 100 I 3.5538 7.3189 117.9300 64.6245 37.3835 178.1623 101 E 3.9882 8.2736 119.4452 59.4482 29.0597 179.4694 102 T 3.8147 8.3351 113.7103 65.1471 67.2949 176.2333 103 L 4.1007 7.8508 119.0205 56.5313 41.6855 178.2094 104 L 4.8273 7.2795 116.6380 53.4222 42.7301 175.3124 105 A 3.8068 7.3157 123.3259 55.6776 17.3295 177.8573 106 G 3.9946 8.9033 109.7501 46.7489 0.0000 172.5723 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 8 Q 8.33 4.10 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.74 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 9 G 7.92 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 0.00 0.00 0.00 10 I 8.35 4.37 1.92 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 1.39 0.48 1.07 0.00 0.00 11 L 8.79 4.70 0.00 1.94 1.76 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.66 5.37 0.00 3.90 3.84 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 13 L 8.67 4.47 0.00 1.76 1.52 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.71 5.02 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 15 L 9.08 4.43 0.00 1.57 1.65 0.97 0.60 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 16 K 8.93 3.85 0.00 1.73 1.87 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 D 7.60 4.82 0.00 2.85 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 18 K 8.66 4.06 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.51 7.81 19 A 7.66 4.00 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 20 A 8.52 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.97 3.90 0.00 1.81 1.90 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.20 4.10 0.00 3.08 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 23 S 8.15 4.26 0.00 4.21 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 0.00 24 A 8.16 4.33 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 25 Y 8.06 4.14 0.00 2.92 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 *27 P 0.00 3.85 0.00 2.17 2.18 0.00 3.51 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 28 F 7.42 4.27 0.00 3.05 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 29 V 6.38 3.56 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 0.72 0.00 0.00 0.25 0.00 0.00 30 K 8.34 4.12 0.00 1.73 1.70 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 31 S 9.43 3.64 0.00 4.15 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 32 G 7.95 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 0.00 0.00 0.00 33 G 6.87 3.36 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 0.00 34 I 7.24 4.35 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.59 1.17 0.00 0.00 35 F 9.36 4.90 0.00 3.09 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 36 V 7.89 4.21 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 0.82 0.00 0.00 0.86 0.00 0.00 37 P 0.00 4.88 0.00 2.01 2.07 0.00 3.82 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 2.09 2.09 0.00 38 T 8.03 4.21 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 39 P 0.00 4.69 0.00 2.23 2.15 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 40 K 8.34 4.26 0.00 1.92 1.66 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 R 8.18 4.73 0.00 1.70 1.79 0.00 3.14 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 42 Y 8.27 4.77 0.00 2.78 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 *44 L 8.45 4.02 0.00 1.66 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.06 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 46 D 7.90 4.62 0.00 2.74 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 47 E 8.72 4.78 0.00 1.89 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 2.35 2.42 0.00 48 V 9.03 4.54 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 0.94 0.00 0.00 0.83 0.00 0.00 49 F 8.96 5.00 0.00 3.21 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 50 L 8.51 5.17 0.00 1.66 1.49 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.81 4.79 0.00 1.89 1.56 1.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.79 5.02 0.00 1.66 1.54 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.06 4.69 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 54 L 8.39 4.43 0.00 1.58 1.56 0.86 1.04 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 55 P 0.00 4.66 0.00 1.93 2.16 0.00 3.83 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 56 D 8.34 4.28 0.00 2.85 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 57 S 7.70 4.65 0.00 3.95 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 58 S 8.51 4.73 0.00 3.99 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 59 E 7.66 4.70 0.00 2.08 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 2.16 2.21 0.00 60 R 8.46 4.64 0.00 1.69 1.88 0.00 3.21 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 61 L 8.76 4.49 0.00 1.45 1.48 0.82 1.00 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 62 P 0.00 4.69 0.00 1.80 1.97 0.00 3.61 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 1.89 1.98 0.00 63 V 8.30 4.06 1.86 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 0.38 0.00 0.00 0.79 0.00 0.00 64 A 8.68 4.20 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 65 G 9.01 4.11 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 0.00 0.00 0.00 66 K 8.49 5.17 0.00 1.85 1.64 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 67 V 9.13 4.23 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 0.95 0.00 0.00 0.88 0.00 0.00 68 V 8.39 4.52 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 0.73 0.00 0.00 0.97 0.00 0.00 69 W 7.58 4.55 0.00 3.43 2.94 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 0.00 0.00 0.00 70 T 8.11 4.88 4.17 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 1.23 0.00 0.00 71 T 8.86 4.48 4.46 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 1.28 0.00 0.00 72 P 0.00 4.16 0.00 2.17 2.16 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 73 A 8.07 3.80 1.42 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 0.00 0.00 *79 R 8.03 4.09 0.00 1.74 1.82 0.00 3.05 0.00 0.00 2.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 80 A 8.42 4.42 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.47 1.37 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 82 G 7.35 3.69 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 0.00 0.00 0.00 83 I 6.92 5.01 1.66 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.72 0.72 0.00 0.00 84 G 9.32 4.39 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 0.00 85 V 8.64 4.77 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 0.96 0.00 0.00 0.82 0.00 0.00 86 Q 8.81 4.27 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 87 F 8.58 5.12 0.00 2.98 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 88 P 0.00 4.54 0.00 2.24 2.20 0.00 3.76 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 89 D 8.47 4.33 0.00 2.70 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 90 G 9.00 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 91 P 0.00 4.29 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 92 E 8.22 4.08 0.00 1.97 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 2.31 1.95 0.00 93 G 7.89 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 94 E 8.40 4.04 0.00 2.21 1.99 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 2.32 2.38 0.00 95 A 7.85 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.29 3.39 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.75 0.00 0.00 97 R 8.03 4.09 0.00 2.20 2.16 0.00 3.38 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 98 N 8.27 4.28 0.00 2.96 2.83 0.00 0.00 6.99 7.21 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 99 K 8.03 3.78 0.00 1.72 1.84 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.61 7.81 100 I 7.32 3.55 1.46 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 1.41 0.53 0.30 0.00 0.00 101 E 8.27 3.99 0.00 2.18 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 2.33 0.00 102 T 8.34 3.81 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 1.27 0.00 0.00 103 L 7.85 4.10 0.00 1.76 1.70 0.93 0.84 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 0.00 104 L 7.28 4.83 0.00 1.73 1.72 1.01 0.73 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 0.00 105 A 7.32 3.81 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 0.00 106 G 8.90 3.99 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.