NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3216 8.2649 123.5827 51.0503 19.9277 176.8158 2 P 4.2773 0.0000 0.0000 62.1386 31.9119 175.1135 3 D 4.5457 8.4155 120.5791 56.8381 42.1297 176.7055 4 S 4.6384 7.5685 110.7964 57.4053 65.3946 173.6514 5 I 4.2464 7.8219 121.1083 59.8903 40.8991 173.6992 6 D 4.6280 8.1259 124.9739 51.9175 42.6114 175.5250 7 Y 3.9855 8.4797 125.1063 60.0185 37.3697 178.2460 8 R 4.1169 8.2778 119.6740 58.8477 29.9632 178.5303 9 K 4.1847 7.8567 116.6041 57.9818 32.2782 178.3422 10 K 4.4544 7.8984 116.7060 55.5611 32.6066 176.5710 11 G 3.9489 7.8351 106.5644 46.9453 0.0000 174.1251 12 Y 4.4537 8.2538 116.5920 57.5931 38.6711 175.9794 13 V 4.4528 7.6792 119.9136 60.9314 33.8376 175.1576 14 T 4.3611 8.3222 116.8667 59.9203 70.0017 172.4995 15 P 4.4021 0.0000 0.0000 62.3208 31.9018 176.6639 16 V 3.6948 8.2062 120.2355 63.0130 31.9145 175.7782 17 K 4.5397 8.3901 125.7507 54.6747 34.4953 174.8655 18 N 4.7115 8.2255 118.2974 51.6266 40.4959 174.3521 19 Q 3.7512 8.2693 124.1313 56.7114 29.7781 178.2238 20 G 3.6984 7.6543 106.6237 46.2294 0.0000 174.4464 21 Q 4.3551 8.4012 115.8881 54.1126 27.7265 176.3513 22 C 4.7715 7.4443 116.4281 55.4230 45.8380 174.5554 23 G 3.9227 8.9527 119.0320 45.0569 0.0000 174.1509 24 S 4.3802 7.5440 108.5190 58.0708 64.3816 176.7173 25 C 4.2131 8.2819 119.9015 62.0895 29.0350 175.1420 26 W 4.2119 8.2210 118.4539 59.3670 27.6973 178.0841 27 A 3.4154 6.3955 121.3537 54.5536 17.7332 179.6366 28 F 3.9117 7.9314 115.9175 60.4065 39.0076 177.8642 29 S 4.2175 8.3639 113.0559 61.2977 61.6693 176.4463 30 S 4.1535 8.0533 117.8917 61.8942 62.6179 177.1979 31 V 3.8490 7.8751 115.1375 64.1625 31.0406 178.9453 32 G 3.6951 8.1441 105.2540 47.0691 0.0000 175.7129 33 A 4.0981 8.0563 122.9898 54.9164 18.3906 179.7905 34 L 4.0099 8.1427 117.6105 57.8857 41.1694 179.5547 35 E 4.0611 8.7932 119.3305 59.2873 29.2910 179.6481 36 G 3.6548 7.9790 105.8316 47.8817 0.0000 175.9001 37 Q 4.0464 7.9891 119.9186 58.3554 28.6112 178.4184 38 L 3.9080 8.0972 121.8273 57.9291 42.1983 178.9443 39 K 3.9699 7.7755 120.8938 58.6025 31.7987 178.8266 40 K 3.7886 7.3599 118.8095 59.2123 32.2161 178.4237 41 A 4.1684 7.8273 120.3945 54.3474 18.6170 178.1719 42 T 4.2369 8.1817 105.0775 60.9320 70.3192 175.6717 43 G 3.8172 8.1696 109.6770 45.0753 0.0000 172.8263 44 A 4.5562 7.5046 122.9431 49.9321 20.9094 175.4079 45 L 4.5857 8.3921 124.8707 53.3669 42.7962 175.5129 46 L 4.8492 8.0572 125.0513 52.6887 45.3856 175.9503 47 N 4.7200 8.6335 118.9509 52.9262 38.9864 175.3209 48 L 4.3130 8.7740 123.7912 53.3286 42.9124 176.7545 49 A 4.2640 8.1344 123.9205 50.4910 18.2595 176.6434 50 P 3.9107 0.0000 0.0000 66.3483 31.2878 178.3255 51 Q 3.8303 7.7396 119.1693 58.8865 28.8183 177.4023 52 N 4.3016 7.7557 117.5750 56.4208 38.9067 176.9339 53 L 3.8944 7.4817 119.9277 57.7212 41.7411 179.4828 54 V 3.8681 7.3387 111.0778 64.6280 31.5275 178.0148 55 D 4.5070 7.9821 117.5328 56.4797 40.8706 176.7391 56 C 4.3602 7.5342 115.2057 57.5787 36.3126 173.9461 57 V 3.5452 7.3278 119.8910 62.1930 30.0403 176.5503 58 S 4.2270 8.4201 122.8283 60.4718 63.2564 175.1983 59 E 4.1250 8.0326 118.8704 57.2223 29.6730 175.5348 60 N 4.5251 7.3453 116.0014 51.7161 40.8856 173.8725 61 D 4.8112 8.2794 115.5200 53.6722 42.7168 176.9542 62 G 4.1388 7.7803 110.7932 46.8682 0.0000 177.7570 63 C 4.6400 9.0766 124.3944 58.0090 40.0262 174.6077 64 G 3.6832 7.4764 107.8724 44.3234 0.0000 172.4792 65 G 3.7492 7.9180 105.6431 43.4645 0.0000 172.7347 66 G 3.0971 6.6266 105.7801 44.6824 0.0000 171.6608 67 Y 4.8145 7.1813 115.9188 56.0324 42.1250 177.0862 68 M 4.1478 8.9169 123.7847 57.9398 32.1697 179.2104 69 T 4.0655 7.9170 109.7462 65.0656 69.0555 176.1960 70 N 4.4145 8.1581 118.5929 55.7366 38.6394 177.1926 71 A 4.2002 7.5602 121.2188 55.2086 18.5018 179.7474 72 F 4.5630 8.0458 116.3968 60.9043 39.0420 177.7537 73 Q 4.0839 8.4466 119.2856 59.1605 28.7628 177.7747 74 Y 4.0497 8.0873 120.3563 60.7302 38.7119 177.8873 75 V 3.4030 7.6662 117.7730 65.8541 31.5949 177.6051 76 Q 4.0465 7.8391 118.4409 59.4294 29.1175 178.1552 77 R 4.0156 7.7245 117.6034 59.0441 30.1569 178.2052 78 N 4.1814 7.9645 116.0573 55.6660 38.9458 174.9682 *1078 R 4.0474 7.8825 123.0287 56.4925 30.6450 175.0443 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 1 A 8.26 4.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.10 1.96 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 3 D 8.42 4.55 0.00 2.65 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 4 S 7.57 4.64 0.00 3.91 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 5 I 7.82 4.25 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.10 0.91 0.00 0.00 6 D 8.13 4.63 0.00 2.65 2.42 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 7 Y 8.48 3.99 0.00 3.11 2.95 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 8 R 8.28 4.12 0.00 2.02 2.02 0.00 3.15 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 9 K 7.86 4.18 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 10 K 7.90 4.45 0.00 1.70 1.91 0.00 1.75 0.00 0.00 1.53 0.00 0.00 2.44 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.19 7.81 11 G 7.84 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 12 Y 8.25 4.45 0.00 3.23 3.09 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 0.00 0.00 0.00 13 V 7.68 4.45 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 0.93 0.00 0.00 1.06 0.00 0.00 14 T 8.32 4.36 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 1.33 0.00 0.00 15 P 0.00 4.40 0.00 2.08 2.05 0.00 3.71 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 2.05 2.10 0.00 16 V 8.21 3.69 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 0.77 0.00 0.00 0.94 0.00 0.00 17 K 8.39 4.54 0.00 1.80 1.88 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.62 7.81 18 N 8.23 4.71 0.00 2.56 2.61 0.00 0.00 7.01 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 19 Q 8.27 3.75 0.00 2.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 20 G 7.65 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 21 Q 8.40 4.36 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 22 C 7.44 4.77 0.00 2.89 3.08 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 23 G 8.95 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 24 S 7.54 4.38 0.00 3.72 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 25 C 8.28 4.21 0.00 3.20 3.41 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 26 W 8.22 4.21 0.00 3.60 3.41 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 27 A 6.40 3.42 0.25 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 28 F 7.93 3.91 0.00 3.20 3.09 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 0.00 0.00 0.00 29 S 8.36 4.22 0.00 4.05 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 30 S 8.05 4.15 0.00 4.01 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 31 V 7.88 3.85 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 0.71 0.00 0.00 0.88 0.00 0.00 32 G 8.14 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 33 A 8.06 4.10 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 34 L 8.14 4.01 0.00 1.98 1.77 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.79 4.06 0.00 2.21 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 2.54 2.46 0.00 36 G 7.98 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 0.00 0.00 0.00 37 Q 7.99 4.05 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 38 L 8.10 3.91 0.00 1.83 1.78 0.89 0.64 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 39 K 7.78 3.97 0.00 1.73 1.50 0.00 1.35 0.00 0.00 1.55 0.00 0.00 3.08 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 0.48 7.81 40 K 7.36 3.79 0.00 1.85 1.94 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.32 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.58 7.81 41 A 7.83 4.17 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 42 T 8.18 4.24 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 1.18 0.00 0.00 43 G 8.17 3.82 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 0.00 0.00 0.00 44 A 7.50 4.56 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 45 L 8.39 4.59 0.00 1.55 1.58 0.96 1.06 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 46 L 8.06 4.85 0.00 1.58 1.49 0.90 1.10 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 47 N 8.63 4.72 0.00 2.71 2.76 0.00 0.00 6.94 7.85 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 48 L 8.77 4.31 0.00 1.59 1.56 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.13 4.26 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 50 P 0.00 3.91 0.00 1.19 1.14 0.00 3.46 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.00 51 Q 7.74 3.83 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 52 N 7.76 4.30 0.00 2.81 2.95 0.00 0.00 7.15 6.54 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 53 L 7.48 3.89 0.00 1.54 1.67 0.83 1.17 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 54 V 7.34 3.87 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 0.48 0.00 0.00 0.99 0.00 0.00 55 D 7.98 4.51 0.00 2.69 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 56 C 7.53 4.36 0.00 2.31 2.81 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 57 V 7.33 3.55 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 0.97 0.00 0.00 0.89 0.00 0.00 58 S 8.42 4.23 0.00 4.01 3.97 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 59 E 8.03 4.12 0.00 1.91 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 2.29 2.38 0.00 60 N 7.35 4.53 0.00 2.07 1.70 0.00 0.00 6.72 9.01 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 61 D 8.28 4.81 0.00 2.55 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 62 G 7.78 4.14 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 0.00 0.00 0.00 63 C 9.08 4.64 0.00 3.04 3.17 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 64 G 7.48 3.68 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 0.00 0.00 0.00 65 G 7.92 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 0.00 0.00 0.00 66 G 6.63 3.10 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 67 Y 7.18 4.81 0.00 2.92 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 68 M 8.92 4.15 0.00 1.73 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.56 0.00 69 T 7.92 4.07 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 1.29 0.00 0.00 70 N 8.16 4.41 0.00 2.95 2.85 0.00 0.00 7.02 8.14 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 71 A 7.56 4.20 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 72 F 8.05 4.56 0.00 3.35 3.05 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 0.00 0.00 0.00 73 Q 8.45 4.08 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 74 Y 8.09 4.05 0.00 3.23 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 75 V 7.67 3.40 2.34 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 0.88 0.00 0.00 1.20 0.00 0.00 76 Q 7.84 4.05 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 77 R 7.72 4.02 0.00 1.79 1.95 0.00 3.25 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 78 N 7.96 4.18 0.00 1.80 2.25 0.00 0.00 7.21 7.29 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 *1078 R 7.88 4.05 0.00 1.94 1.83 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.