NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4468 8.2893 120.3500 55.0650 32.8353 175.1557 4 S 4.1329 8.3114 121.4654 56.9246 63.7521 173.5139 5 L 4.0917 8.6810 122.1865 56.8174 42.1909 179.1933 6 E 4.1679 8.1654 118.4939 59.1428 29.9997 177.5978 7 V 3.6314 7.4768 117.8187 66.0783 31.5126 177.2497 8 F 4.1145 8.4501 119.7232 61.9246 39.2343 177.0308 9 E 3.9586 8.0298 117.0608 58.8384 28.2575 179.0368 10 K 4.1387 7.8122 118.3091 58.4598 32.2067 178.8396 11 L 3.8935 7.3341 119.3231 57.6190 41.7873 178.3837 12 E 3.7065 8.0107 119.1904 59.3880 28.8122 178.7047 13 A 4.0818 7.5689 119.0227 54.4678 18.6441 179.6132 14 K 3.9956 7.4340 117.5315 59.0631 32.1153 179.8140 15 V 3.4929 7.8081 118.8627 66.0501 31.4083 177.2984 16 Q 3.8424 7.6902 119.1730 59.9199 28.5536 178.9105 17 Q 3.9342 7.6875 118.5016 58.9191 29.5424 177.8647 18 A 4.1274 8.1744 121.9627 55.3978 18.6005 179.7974 19 I 3.7591 8.2691 118.4453 64.2390 36.9136 177.6912 20 D 4.6772 8.1534 117.8811 55.7913 40.7814 176.7672 21 T 4.4257 7.6146 114.7164 65.6556 71.4569 176.6237 22 I 3.6433 7.5540 120.2249 64.7453 38.5895 176.6751 23 T 3.7518 8.3563 108.5538 64.9220 67.2889 179.7802 24 L 3.0643 7.8627 130.3813 56.0879 45.7279 176.2018 25 L 3.9462 8.4278 119.1490 58.3641 42.0725 179.7388 26 Q 4.0333 8.8906 119.8244 59.2214 28.8292 178.2534 27 M 4.0259 7.8914 119.3254 58.5731 32.0766 178.0912 28 E 3.9418 8.5447 118.9953 59.7014 29.5316 179.5144 29 I 3.6339 8.1700 119.9627 64.5151 37.1961 177.7143 30 E 3.9161 8.3000 119.8312 59.8147 29.3454 179.0084 31 E 3.9796 8.4422 118.3715 59.2585 29.4680 179.2840 32 L 4.1054 7.8234 118.9095 57.3767 41.6796 179.1066 33 K 3.8666 8.4954 119.9699 58.7757 31.9178 177.7431 34 E 4.3002 7.4762 118.2332 57.9666 30.2421 177.7038 35 K 3.9441 8.4328 119.8739 59.2037 32.0599 178.1469 36 N 4.3658 8.3342 117.5875 56.2807 39.1033 176.4767 37 N 4.3196 7.7704 117.0905 56.4153 38.9815 176.9276 38 S 4.0893 8.2251 114.9359 61.3782 62.5147 176.1425 39 L 4.0670 7.6323 121.5448 57.3549 40.8244 179.2685 40 S 4.0618 8.4013 113.8181 61.5722 62.2098 176.0233 41 Q 4.0074 7.9560 121.8119 59.0952 28.7058 177.9917 42 E 3.9098 8.1533 120.3003 59.2499 29.8628 178.7334 43 V 3.7381 8.0042 117.2509 64.8134 31.4099 177.0759 44 Q 4.1562 7.5874 117.7062 58.9630 29.0290 176.9502 45 N 4.4262 8.0347 116.9342 55.6195 38.6112 177.3066 46 A 4.0359 8.1725 122.7772 54.7635 18.4601 179.4878 47 Q 3.8861 7.6226 117.5430 59.5932 29.0900 177.7020 48 H 4.2015 8.3007 117.6926 58.6216 30.1707 176.3025 49 Q 4.1539 7.6541 120.9630 58.2885 29.1249 177.5367 50 R 3.8438 8.0651 120.2862 59.3258 30.2323 177.5083 51 E 4.2020 8.2255 115.8654 57.3266 29.3014 176.7229 52 E 4.5191 7.8956 117.0631 57.0252 30.7939 177.1583 53 L 4.0811 7.7879 118.7815 58.2141 41.5842 178.8747 54 E 3.7896 7.9475 118.1757 59.1637 29.3925 179.8063 55 R 4.0260 7.8614 118.2903 58.9336 30.5552 177.7958 56 E 3.9534 7.7926 118.1437 59.0587 29.5780 178.0213 57 N 4.2511 8.8473 117.5790 57.0614 39.1416 176.5132 58 N 4.3334 7.8356 116.7529 56.5958 38.6096 176.7807 59 H 4.1458 8.3949 119.5896 59.2857 29.8273 177.2734 60 L 3.9135 8.1094 120.6981 57.6545 41.6734 178.9643 61 K 3.7974 8.1836 119.5020 59.8498 31.9010 178.1926 62 E 3.8846 8.0987 118.7316 59.4612 29.8661 178.6417 63 Q 4.0232 7.9941 119.4291 58.9194 28.9776 177.9878 64 Q 4.1902 8.8450 121.1049 58.9356 29.0264 177.4797 65 N 4.6850 8.2999 116.6855 56.6280 38.8034 176.2966 66 G 3.5789 8.6812 107.1129 47.8454 0.0000 175.0708 67 W 4.3263 8.5721 119.6691 59.2416 28.1993 178.3180 68 Q 4.2679 8.8669 119.4479 58.4328 28.2210 177.8346 69 E 4.3271 8.2177 118.7777 58.4825 30.6512 177.9003 70 R 3.3150 8.0560 118.0893 59.5017 29.6481 177.8583 71 L 4.0998 8.5469 120.5126 57.8365 42.2427 178.4229 72 Q 4.0278 7.5859 117.4710 58.6858 29.0357 177.2552 73 A 3.9528 8.8176 122.9659 55.3585 18.4528 179.2733 74 L 3.9140 7.9931 116.5394 58.1949 41.7621 180.0781 75 L 4.2928 7.8185 118.5525 57.2913 41.8535 179.4454 76 G 3.6153 7.9659 105.4241 47.9453 0.0000 175.6562 77 R 3.9813 7.7387 120.0566 59.2263 30.0633 177.8079 78 M 4.2214 7.4569 115.6757 57.5934 32.3950 176.9775 79 E 4.4288 7.8299 116.2882 55.5371 30.3725 176.1186 80 E 4.5156 8.1010 120.5450 57.1230 29.9313 177.0517 *81 V 3.9215 8.6065 126.4452 61.9803 32.3887 174.6577 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 3 M 8.29 4.45 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 4 S 8.31 4.13 0.00 4.13 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 5 L 8.68 4.09 0.00 1.71 1.71 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.17 4.17 0.00 2.07 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 2.26 2.45 0.00 7 V 7.48 3.63 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 0.98 0.00 0.00 0.96 0.00 0.00 8 F 8.45 4.11 0.00 3.25 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 9 E 8.03 3.96 0.00 2.30 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 2.50 2.72 0.00 10 K 7.81 4.14 0.00 2.07 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 L 7.33 3.89 0.00 1.80 1.49 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.01 3.71 0.00 1.53 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 2.23 2.24 0.00 13 A 7.57 4.08 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 14 K 7.43 4.00 0.00 2.10 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 15 V 7.81 3.49 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 0.87 0.00 0.00 0.86 0.00 0.00 16 Q 7.69 3.84 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 17 Q 7.69 3.93 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 18 A 8.17 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 3.76 2.05 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 1.51 1.09 0.93 0.00 0.00 20 D 8.15 4.68 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 21 T 7.61 4.43 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 1.20 0.00 0.00 22 I 7.55 3.64 1.86 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 1.54 0.71 0.91 0.00 0.00 23 T 8.36 3.75 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 1.21 0.00 0.00 24 L 7.86 3.06 0.00 1.86 1.92 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.43 3.95 0.00 1.92 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.89 4.03 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 27 M 7.89 4.03 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 28 E 8.54 3.94 0.00 2.11 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 2.33 2.50 0.00 29 I 8.17 3.63 2.04 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 1.57 0.97 0.91 0.00 0.00 30 E 8.30 3.92 0.00 2.29 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 0.00 2.31 2.42 0.00 31 E 8.44 3.98 0.00 2.05 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 2.33 2.55 0.00 32 L 7.82 4.11 0.00 1.66 1.70 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.50 3.87 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 E 7.48 4.30 0.00 2.41 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 2.22 2.28 0.00 35 K 8.43 3.94 0.00 1.90 1.88 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 36 N 8.33 4.37 0.00 2.88 2.93 0.00 0.00 6.69 6.30 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 37 N 7.77 4.32 0.00 3.13 2.80 0.00 0.00 6.83 7.08 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 38 S 8.23 4.09 0.00 3.93 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 39 L 7.63 4.07 0.00 1.85 1.70 0.92 0.76 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 40 S 8.40 4.06 0.00 3.86 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 41 Q 7.96 4.01 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 42 E 8.15 3.91 0.00 2.10 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 0.00 2.31 2.31 0.00 43 V 8.00 3.74 2.22 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 0.94 0.00 0.00 0.93 0.00 0.00 44 Q 7.59 4.16 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 45 N 8.03 4.43 0.00 2.81 2.86 0.00 0.00 6.89 8.30 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 46 A 8.17 4.04 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 47 Q 7.62 3.89 0.00 2.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 48 H 8.30 4.20 0.00 3.17 3.42 0.00 5.99 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.65 4.15 0.00 2.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 50 R 8.07 3.84 0.00 2.12 1.90 0.00 3.14 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 51 E 8.23 4.20 0.00 2.16 1.92 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 2.32 2.24 0.00 52 E 7.90 4.52 0.00 2.16 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 0.00 2.15 2.23 0.00 53 L 7.79 4.08 0.00 1.88 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.95 3.79 0.00 1.99 2.01 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 2.34 2.37 0.00 55 R 7.86 4.03 0.00 1.87 1.90 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 56 E 7.79 3.95 0.00 2.15 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 0.00 2.31 2.38 0.00 57 N 8.85 4.25 0.00 2.84 2.96 0.00 0.00 7.22 7.37 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 58 N 7.84 4.33 0.00 2.99 2.87 0.00 0.00 6.74 8.04 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 59 H 8.39 4.15 0.00 3.28 3.50 0.00 5.78 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 60 L 8.11 3.91 0.00 1.90 1.70 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.18 3.80 0.00 1.98 1.85 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 62 E 8.10 3.88 0.00 2.34 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 2.30 2.31 0.00 63 Q 7.99 4.02 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 64 Q 8.85 4.19 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 65 N 8.30 4.68 0.00 3.00 2.89 0.00 0.00 7.00 7.14 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 66 G 8.68 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.57 4.33 0.00 3.54 3.34 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 68 Q 8.87 4.27 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 69 E 8.22 4.33 0.00 2.19 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 2.25 2.30 0.00 70 R 8.06 3.32 0.00 1.66 1.90 0.00 3.07 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.00 71 L 8.55 4.10 0.00 1.87 1.80 0.96 0.48 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 72 Q 7.59 4.03 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 73 A 8.82 3.95 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 74 L 7.99 3.91 0.00 1.99 1.80 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.82 4.29 0.00 1.66 1.89 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.97 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 3.98 0.00 1.84 2.14 0.00 3.26 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 78 M 7.46 4.22 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 79 E 7.83 4.43 0.00 2.00 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 2.31 2.40 0.00 80 E 8.10 4.52 0.00 2.03 1.12 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 2.22 2.33 0.00 *81 V 8.61 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.