NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 5.0073 8.4293 119.2846 55.3446 29.8256 172.1456 1 M 4.4900 8.7879 120.3736 52.0448 33.8392 172.8122 2 Q 4.9596 8.2000 121.5873 54.8475 31.7428 175.4489 3 I 4.3146 8.5996 118.5574 59.2084 41.7117 173.8257 4 F 5.3635 9.3629 122.4116 55.8792 42.0807 174.9142 5 V 4.8051 8.9538 122.0199 61.0479 34.1405 174.0255 6 K 5.1619 9.3748 129.8871 54.9144 35.1022 175.5819 7 T 5.0885 8.1512 117.0255 59.1281 71.3158 175.3971 8 L 3.9406 8.6142 123.0434 58.4865 41.9888 177.9209 9 T 3.9807 7.7704 105.3425 62.5133 68.7303 173.5661 10 G 4.1971 8.1623 111.5779 45.5955 0.0000 174.8040 11 K 3.8510 7.1739 118.6992 57.4760 32.6116 175.5621 12 T 5.2257 8.3715 118.7378 61.6801 71.8836 173.2163 13 I 4.8061 8.6357 118.5730 59.3210 40.9330 174.3207 14 T 5.0686 8.4785 113.3087 60.2208 71.1942 173.6349 15 L 4.7742 8.9189 122.9112 53.1193 46.1317 175.1973 16 E 4.8428 8.7578 122.8350 55.6004 30.6259 175.8111 17 V 4.7020 8.9363 117.4051 59.8235 36.9127 173.9449 18 E 4.9411 8.9642 119.5068 54.0012 32.8311 176.2435 19 P 4.1662 0.0000 0.0000 65.3223 31.5784 178.2381 20 S 4.4587 7.8506 110.3190 58.6836 63.9378 174.1637 21 D 4.3940 8.1052 123.7993 54.6696 41.2039 176.3887 22 T 4.6108 8.2960 114.3489 61.3351 71.1035 175.6780 23 I 3.7221 8.8354 123.5177 64.5641 37.0807 178.3977 24 E 3.9278 8.2070 120.1240 59.2291 29.3914 178.4499 25 N 4.2743 8.1934 116.5371 56.4756 38.5994 177.3069 26 V 3.5587 7.7039 119.2259 66.1447 31.5553 178.0886 27 K 4.3555 8.6708 119.5251 58.8672 31.7754 179.1373 28 A 3.9847 8.0873 121.0063 55.1470 17.7831 179.8586 29 K 4.0608 8.1618 117.0536 59.6425 32.0011 179.6618 30 I 3.7405 8.0627 120.4193 64.3395 37.0088 178.1997 31 Q 4.1030 8.1912 121.8139 58.8324 28.6704 177.9502 32 D 4.5371 8.0498 118.9130 57.0237 40.8597 178.2819 33 K 4.3459 7.4898 116.3022 57.3220 33.4284 177.6551 34 E 4.6417 8.4521 116.5161 54.8066 30.7232 177.5508 35 G 3.8879 8.3178 106.9438 45.7687 0.0000 173.5833 36 I 4.0313 7.2051 120.7825 59.5043 37.7372 174.0542 37 P 4.5195 0.0000 0.0000 62.0949 32.0476 175.7951 38 P 4.3226 0.0000 0.0000 65.5849 31.4620 178.4909 39 D 4.4593 8.0511 116.2485 55.5179 39.7432 176.7287 40 Q 5.1749 7.8283 117.5663 54.9813 29.1318 174.2079 41 Q 4.9249 7.9559 118.4296 53.9799 31.8053 174.4678 42 R 4.8475 9.0912 124.1694 54.4382 33.2632 174.0550 43 L 5.2577 8.4789 125.1799 53.0884 44.6289 175.3038 44 I 5.0817 8.9098 123.7776 59.5995 41.2657 174.4763 45 F 4.9421 9.1706 127.5678 57.3551 42.8601 174.1161 46 A 3.4910 9.4020 127.5642 52.8557 15.9564 177.8618 47 G 3.9196 8.4288 107.7048 46.4874 0.0000 174.3925 48 K 4.3099 7.9877 120.8044 54.9558 32.9586 175.7301 49 Q 4.4804 8.5718 125.9933 56.1921 29.5152 175.2699 50 L 4.1579 8.7557 127.1638 53.8921 43.3110 175.8892 51 E 4.6636 8.8279 121.8713 54.6778 31.6121 176.9314 52 D 4.4096 9.0904 123.3794 57.6442 41.1138 179.3013 53 G 3.6877 8.0252 106.1362 47.6065 0.0000 173.7411 54 R 4.5293 7.8895 119.3260 55.6223 32.4592 176.0180 55 T 4.8985 8.2510 110.8160 60.3109 71.2001 175.7704 56 L 4.2691 8.5685 121.9718 57.7676 42.2258 180.2499 57 S 4.3852 8.4375 113.8514 60.8884 63.4236 176.2369 58 D 4.2036 7.8161 120.5848 56.7983 40.5063 176.6804 59 Y 4.6219 7.2589 113.0904 57.0869 38.0726 175.1594 60 N 4.2311 7.9598 115.7585 54.1803 36.6969 174.3930 61 I 3.6200 8.2190 120.0120 61.3624 37.3003 176.0067 62 Q 4.5699 8.0726 124.9869 53.2414 31.2405 174.8605 63 K 4.0812 8.2503 119.6275 58.2576 32.4142 176.4506 64 E 3.8126 9.8908 123.7056 56.7510 27.9276 174.9410 65 S 4.5553 7.6763 115.3465 59.1361 64.4124 173.7874 66 T 4.9596 8.5850 117.7463 61.7824 70.4947 174.0152 67 L 4.4828 9.1204 127.3194 54.8837 43.6250 175.9078 68 H 5.4147 9.5462 118.5390 54.1417 31.1729 173.1486 69 L 4.8888 8.8623 126.7508 53.9864 43.5695 175.3769 70 V 4.5595 8.8308 126.2395 60.4680 34.7838 174.3865 71 L 4.4630 8.7126 129.5207 55.5041 42.9564 175.7390 72 R 4.6118 8.7788 126.6438 54.4670 32.2685 175.5271 73 L 4.4736 8.5141 126.0828 53.6979 42.7111 176.3291 74 R 4.0326 8.4309 118.8246 58.4853 30.0739 177.4314 75 G 3.8503 8.6716 111.1159 44.9041 0.0000 173.3483 76 G 4.0058 8.7323 114.6466 45.6882 0.0000 173.5587 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 *0 H 8.43 5.01 0.00 2.71 2.93 0.00 7.13 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.79 4.49 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 2 Q 8.20 4.96 0.00 2.21 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 3 I 8.60 4.31 1.74 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 1.25 0.66 0.83 0.00 0.00 4 F 9.36 5.36 0.00 3.01 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 5 V 8.95 4.81 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 0.97 0.00 0.00 0.93 0.00 0.00 6 K 9.37 5.16 0.00 1.81 1.63 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.47 7.81 7 T 8.15 5.09 4.26 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 1.23 0.00 0.00 8 L 8.61 3.94 0.00 1.63 1.75 0.92 0.91 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 9 T 7.77 3.98 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 10 G 8.16 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 0.00 0.00 0.00 0.00 11 K 7.17 3.85 0.00 1.93 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.60 7.81 12 T 8.37 5.23 4.25 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 1.37 0.00 0.00 13 I 8.64 4.81 1.90 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 1.48 1.37 0.97 0.00 0.00 14 T 8.48 5.07 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 1.43 0.00 0.00 15 L 8.92 4.77 0.00 1.43 1.48 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.76 4.84 0.00 1.81 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 0.00 2.21 2.24 0.00 17 V 8.94 4.70 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 0.68 0.00 0.00 0.89 0.00 0.00 18 E 8.96 4.94 0.00 1.87 1.77 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 2.18 2.22 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.85 4.46 0.00 3.96 3.96 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 0.00 0.00 0.00 21 D 8.11 4.39 0.00 2.88 2.63 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 22 T 8.30 4.61 4.41 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 1.21 0.00 0.00 23 I 8.84 3.72 2.00 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 1.82 1.11 0.91 0.00 0.00 24 E 8.21 3.93 0.00 2.23 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 2.31 2.40 0.00 25 N 8.19 4.27 0.00 3.03 2.85 0.00 0.00 6.65 7.28 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 26 V 7.70 3.56 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 1.09 0.00 0.00 0.98 0.00 0.00 27 K 8.67 4.36 0.00 1.98 1.88 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.49 7.81 28 A 8.09 3.98 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 29 K 8.16 4.06 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.69 7.81 30 I 8.06 3.74 2.15 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 1.41 0.83 0.92 0.00 0.00 31 Q 8.19 4.10 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.05 4.54 0.00 2.91 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 33 K 7.49 4.35 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.60 7.81 34 E 8.45 4.64 0.00 2.00 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 2.31 2.43 0.00 35 G 8.32 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 0.00 0.00 0.00 36 I 7.21 4.03 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 1.30 1.28 0.91 0.00 0.00 37 P 0.00 4.52 0.00 2.37 1.98 0.00 3.78 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 2.20 2.12 0.00 38 P 0.00 4.32 0.00 2.18 2.10 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.05 4.46 0.00 2.78 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 40 Q 7.83 5.17 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 41 Q 7.96 4.92 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 42 R 9.09 4.85 0.00 1.83 1.92 0.00 3.05 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.48 5.26 0.00 1.58 1.50 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.91 5.08 1.92 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 1.12 1.24 0.92 0.00 0.00 45 F 9.17 4.94 0.00 2.94 2.75 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 46 A 9.40 3.49 0.80 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 0.00 0.00 47 G 8.43 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 48 K 7.99 4.31 0.00 2.01 1.73 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.39 7.81 49 Q 8.57 4.48 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.76 4.16 0.00 1.39 1.28 0.75 -0.04 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 51 E 8.83 4.66 0.00 2.08 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 0.00 2.31 2.39 0.00 52 D 9.09 4.41 0.00 2.72 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 53 G 8.03 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 54 R 7.89 4.53 0.00 2.01 1.76 0.00 3.17 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 55 T 8.25 4.90 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 56 L 8.57 4.27 0.00 1.75 1.71 0.86 0.95 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 57 S 8.44 4.39 0.00 4.00 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 0.00 58 D 7.82 4.20 0.00 2.57 2.28 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 59 Y 7.26 4.62 0.00 3.08 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 60 N 7.96 4.23 0.00 3.02 2.98 0.00 0.00 6.93 7.49 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 61 I 8.22 3.62 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.26 0.56 0.00 0.00 62 Q 8.07 4.57 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 63 K 8.25 4.08 0.00 1.69 1.71 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.51 7.81 64 E 9.89 3.81 0.00 2.29 2.36 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 2.25 2.49 0.00 65 S 7.68 4.56 0.00 3.72 3.78 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 0.00 0.00 0.00 0.00 66 T 8.59 4.96 4.32 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 1.23 0.00 0.00 67 L 9.12 4.48 0.00 1.59 1.60 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.55 5.41 0.00 3.21 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 4.89 0.00 1.78 1.56 1.00 0.80 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 70 V 8.83 4.56 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 0.97 0.00 0.00 0.94 0.00 0.00 71 L 8.71 4.46 0.00 1.68 1.57 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.78 4.61 0.00 1.89 1.63 0.00 3.14 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 L 8.51 4.47 0.00 1.75 1.56 0.92 0.95 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 74 R 8.43 4.03 0.00 1.79 1.93 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 75 G 8.67 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 0.00 0.00 0.00 76 G 8.73 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 * Residues marked with a * may have inaccurate shift predictions.