NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4334 8.1233 122.4628 51.9325 20.5729 175.4892 3 S 5.0771 8.4325 117.7652 56.4749 67.2435 171.2818 4 A 4.8631 9.4774 124.3724 50.9994 23.4849 174.6207 5 I 4.7973 8.2810 120.1619 59.4887 39.6340 175.2998 6 V 4.5320 8.9533 127.0456 61.0710 34.1680 173.9760 7 L 4.9524 8.7550 128.2999 53.2876 43.5219 175.4157 8 I 5.0299 9.0953 124.9468 59.5635 40.2790 174.2328 9 N 5.5284 9.0115 123.6677 51.7816 41.1910 174.3643 10 T 5.0041 8.7367 113.5404 59.5811 71.7616 173.8812 11 D 4.5825 8.8817 121.6482 54.1767 42.0982 176.6494 12 A 4.0619 8.5030 124.8701 54.0346 18.6608 178.2025 13 G 3.9355 8.7861 110.7805 45.7012 0.0000 174.5783 14 G 4.0253 8.0397 105.8329 44.5055 0.0000 175.4222 15 E 4.0675 7.9559 121.1502 59.5006 29.6418 178.7948 16 D 4.4113 8.0413 119.3596 56.9202 40.8867 178.3098 17 E 3.9904 8.1560 118.7877 59.5239 29.5551 179.4630 18 V 3.6184 7.9455 118.2361 65.7311 31.5725 177.6459 19 F 4.0134 8.3893 120.5063 61.5870 38.9960 177.0231 20 E 4.0140 8.2103 116.6720 59.3862 29.2740 179.3855 21 R 4.0538 7.8389 117.9336 59.2946 29.9595 179.1115 22 L 4.0059 7.6416 117.8178 57.3907 41.6404 179.3849 23 K 4.0112 7.6639 118.0153 58.0314 33.7287 177.8645 24 S 4.4459 7.1690 116.5059 56.4639 60.2137 173.6314 *26 S 4.3995 7.8318 122.0605 58.9032 65.2149 176.5451 27 E 3.8643 7.7025 119.8969 58.1820 30.3005 176.4472 28 V 4.5571 6.9781 119.2008 62.0149 31.0208 175.5552 29 T 4.4321 8.6892 119.9199 63.1085 70.0078 174.8570 30 E 4.8975 7.9065 118.7041 54.8699 33.3710 174.6545 31 V 4.9695 7.8848 119.7000 60.8953 34.5151 173.6289 32 H 5.1513 9.2980 120.8034 54.1615 33.2235 172.8322 33 V 4.3909 8.4190 122.8171 62.8427 32.2612 175.5119 34 V 4.5436 8.3548 119.4892 59.6498 35.6023 175.0517 35 Y 4.2464 8.4495 121.7515 58.5039 38.0861 174.6010 36 G 3.9189 8.9401 108.7229 44.2442 0.0000 174.7240 37 V 3.5665 8.4525 118.5076 63.8114 31.5561 175.6224 38 Y 4.9894 6.9660 113.6753 56.3690 40.6754 174.6148 39 D 4.9312 9.1633 120.6213 55.4152 43.8727 176.7982 40 I 5.1921 7.6608 117.1096 59.4858 42.0513 174.4517 41 V 4.8627 8.9477 125.6662 61.2523 34.1246 174.7535 42 V 4.9537 8.7195 120.2399 59.4441 35.7862 174.2435 43 K 4.8932 8.7708 125.1778 55.0201 34.3173 175.1077 44 V 4.8700 8.8815 127.4294 61.1224 34.2036 173.8775 45 E 5.2038 9.0846 126.9380 54.5499 30.5790 175.1741 46 A 4.7588 8.9662 124.9623 50.1543 22.7987 176.5770 47 D 4.4183 8.8266 118.1179 56.2785 42.6342 176.7262 48 S 4.3075 7.0181 115.9328 58.0523 67.5328 176.1944 *50 D 4.6156 8.9584 117.0910 54.1668 42.3506 177.5167 51 K 4.0549 8.3010 118.6602 59.0729 31.8370 179.1549 52 L 3.9928 8.3834 121.2281 58.0543 41.9942 178.9630 53 K 3.9183 8.0240 119.0087 59.5442 32.1248 178.0953 54 D 4.2828 8.1224 118.2733 57.2426 41.2185 177.7494 55 F 4.0980 8.5055 121.4844 61.3577 39.2909 177.3084 56 V 3.3848 8.0674 117.7794 66.2534 31.1714 178.1926 57 T 3.8178 7.7575 113.9246 66.6988 68.5943 176.3141 58 N 4.5960 8.2004 115.6702 55.1623 39.2779 175.5865 59 T 4.2415 7.4700 115.1232 64.4306 70.4245 176.1074 60 I 3.4526 7.3339 120.9262 64.8532 37.5183 178.7637 61 R 4.1302 7.9756 116.0451 57.4727 29.9321 177.3673 62 K 4.4331 7.3877 116.0179 55.7610 33.0981 176.6192 63 L 4.1184 7.5815 120.7636 53.6296 42.1195 174.9185 64 P 4.3507 0.0000 0.0000 64.3692 31.7566 176.6831 65 K 4.3885 8.7835 119.2342 56.8746 29.5983 175.2937 66 V 4.0904 7.4996 119.5510 62.5565 31.9578 175.5239 67 R 4.4205 8.9147 128.8134 58.4883 30.8104 176.3216 68 S 4.9276 7.7728 111.4768 57.2996 66.5958 172.8332 69 T 5.2034 8.3184 109.8537 60.1114 72.1049 173.0431 70 L 4.5677 9.0769 125.3425 54.1609 44.8428 175.6650 71 T 4.4241 8.2108 124.6268 62.2044 71.4191 173.6786 *73 I 3.9516 8.0821 121.6509 61.7194 38.1897 176.0020 74 I 3.9316 8.2324 128.7731 60.8121 38.0126 176.0769 75 V 3.7012 8.4406 126.9610 62.6768 32.3871 175.1781 76 E 4.1932 8.7313 128.6715 58.0425 29.6958 177.6984 77 G 4.0080 9.6834 111.8286 45.3815 0.0000 173.1776 78 K 4.6534 7.7473 117.7918 54.6475 32.8713 177.2718 79 S 4.4632 7.7073 112.1388 56.9051 65.4054 172.4471 80 L 4.6910 8.4600 128.8669 53.1075 44.6139 175.1869 81 V 4.3753 8.4030 125.1024 60.9935 33.7125 175.2586 82 K 4.1948 8.6124 124.9813 56.6187 32.1226 176.3023 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 2 A 8.12 4.43 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 3 S 8.43 5.08 0.00 3.81 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 4 A 9.48 4.86 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 5 I 8.28 4.80 1.84 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 1.22 0.95 0.95 0.00 0.00 6 V 8.95 4.53 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 1.01 0.00 0.00 0.96 0.00 0.00 7 L 8.75 4.95 0.00 1.18 0.91 0.21 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 8 I 9.10 5.03 2.00 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 1.23 0.84 0.98 0.00 0.00 9 N 9.01 5.53 0.00 2.68 2.72 0.00 0.00 6.42 6.33 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 10 T 8.74 5.00 4.36 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 1.24 0.00 0.00 11 D 8.88 4.58 0.00 2.61 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 12 A 8.50 4.06 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 13 G 8.79 3.94 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 0.00 0.00 0.00 14 G 8.04 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 15 E 7.96 4.07 0.00 2.18 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 2.33 2.28 0.00 16 D 8.04 4.41 0.00 2.71 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 17 E 8.16 3.99 0.00 2.21 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 2.42 2.39 0.00 18 V 7.95 3.62 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 1.01 0.00 0.00 1.07 0.00 0.00 19 F 8.39 4.01 0.00 3.29 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 20 E 8.21 4.01 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 21 R 7.84 4.05 0.00 1.98 1.95 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 22 L 7.64 4.01 0.00 1.59 1.64 0.92 0.98 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 23 K 7.66 4.01 0.00 1.66 1.43 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.34 7.81 24 S 7.17 4.45 0.00 3.95 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 *26 S 7.83 4.40 0.00 3.99 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 0.00 27 E 7.70 3.86 0.00 1.16 1.16 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 1.47 1.91 0.00 28 V 6.98 4.56 2.15 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 0.76 0.00 0.00 1.06 0.00 0.00 29 T 8.69 4.43 4.21 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 1.21 0.00 0.00 30 E 7.91 4.90 0.00 1.95 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 2.27 2.36 0.00 31 V 7.88 4.97 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 0.25 0.00 0.00 0.84 0.00 0.00 32 H 9.30 5.15 0.00 3.09 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.42 4.39 1.84 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 0.64 0.00 0.00 0.78 0.00 0.00 34 V 8.35 4.54 2.14 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 0.78 0.00 0.00 1.05 0.00 0.00 35 Y 8.45 4.25 0.00 2.97 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 36 G 8.94 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 0.00 0.00 0.00 37 V 8.45 3.57 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 0.07 0.00 0.00 0.57 0.00 0.00 38 Y 6.97 4.99 0.00 3.01 2.89 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 39 D 9.16 4.93 0.00 2.73 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 40 I 7.66 5.19 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 1.04 0.00 0.00 41 V 8.95 4.86 2.18 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 1.00 0.00 0.00 0.97 0.00 0.00 42 V 8.72 4.95 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 0.62 0.00 0.00 1.00 0.00 0.00 43 K 8.77 4.89 0.00 1.85 1.66 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 44 V 8.88 4.87 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 1.08 0.00 0.00 45 E 9.08 5.20 0.00 1.73 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 2.18 2.18 0.00 46 A 8.97 4.76 1.13 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 0.00 0.00 47 D 8.83 4.42 0.00 2.66 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 48 S 7.02 4.31 0.00 3.94 3.20 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 *50 D 8.96 4.62 0.00 2.76 2.80 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 51 K 8.30 4.05 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 52 L 8.38 3.99 0.00 1.81 1.69 0.98 0.64 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 53 K 8.02 3.92 0.00 1.92 1.97 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.57 7.81 54 D 8.12 4.28 0.00 3.01 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 55 F 8.51 4.10 0.00 3.24 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 56 V 8.07 3.38 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 1.04 0.00 0.00 1.05 0.00 0.00 57 T 7.76 3.82 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 1.19 0.00 0.00 58 N 8.20 4.60 0.00 2.93 2.84 0.00 0.00 7.01 8.22 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 59 T 7.47 4.24 3.72 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 1.05 0.00 0.00 60 I 7.33 3.45 1.77 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 0.99 -0.15 0.82 0.00 0.00 61 R 7.98 4.13 0.00 1.98 1.94 0.00 3.10 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 62 K 7.39 4.43 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.34 7.81 63 L 7.58 4.12 0.00 1.69 1.56 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.35 0.00 2.03 2.01 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 65 K 8.78 4.39 0.00 2.00 1.95 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.37 7.81 66 V 7.50 4.09 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 0.74 0.00 0.00 0.95 0.00 0.00 67 R 8.91 4.42 0.00 1.86 2.11 0.00 3.31 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 68 S 7.77 4.93 0.00 3.91 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 69 T 8.32 5.20 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 1.19 0.00 0.00 70 L 9.08 4.57 0.00 1.68 1.42 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.21 4.42 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 1.22 0.00 0.00 *73 I 8.08 3.95 1.87 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 1.34 0.75 0.91 0.00 0.00 74 I 8.23 3.93 2.03 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 1.11 0.46 0.91 0.00 0.00 75 V 8.44 3.70 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 0.97 0.00 0.00 0.93 0.00 0.00 76 E 8.73 4.19 0.00 1.99 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 2.31 2.25 0.00 77 G 9.68 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 78 K 7.75 4.65 0.00 1.82 1.72 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.49 7.81 79 S 7.71 4.46 0.00 3.76 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 80 L 8.46 4.69 0.00 1.56 1.47 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.40 4.38 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 0.90 0.00 0.00 0.93 0.00 0.00 82 K 8.61 4.19 0.00 1.78 1.69 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.