NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2994 0.0000 0.0000 61.9188 32.3420 175.5617 3 K 3.8834 8.7825 123.2663 55.6057 32.4634 175.0360 4 K 4.0113 9.1697 127.7649 56.6367 34.1520 175.0084 5 V 5.0920 8.1675 122.8261 61.3693 34.5363 174.2903 6 L 4.8434 8.9208 126.6644 53.1252 45.7326 175.3074 7 T 4.8598 7.8792 117.0900 62.0993 71.3562 173.7363 8 G 3.9601 7.9964 111.5463 46.2057 0.0000 171.7990 9 V 4.8599 8.0690 119.2450 60.8606 34.6892 175.5178 10 V 4.2840 8.2432 126.3303 62.5989 31.8570 176.0661 11 V 4.4777 7.8883 120.8418 60.5860 32.4388 175.8321 12 S 4.7899 7.5487 112.6870 58.1057 65.1382 176.0531 13 D 4.8762 8.8442 121.5796 52.9523 41.6504 176.3976 14 K 4.4196 7.4428 121.8033 56.0781 30.7375 175.9899 15 M 4.8435 7.3405 116.1167 54.0663 36.5249 174.9070 16 Q 4.2973 8.5934 119.7173 56.3784 29.7883 176.2683 17 K 4.0992 8.9128 122.0209 57.0694 30.0351 174.2558 18 T 5.0200 7.5729 111.0066 62.7089 73.0290 173.9223 19 V 4.6500 9.0149 116.1668 60.1623 36.8608 174.3721 20 T 4.9497 8.3595 118.8881 61.8539 71.1416 173.6225 21 V 4.7264 8.8565 126.8089 60.8408 33.9464 174.1908 22 L 4.4886 8.7299 131.8689 54.7583 43.4533 175.6726 23 V 4.6018 9.3691 126.5976 61.1764 34.2654 174.4753 24 E 4.9677 8.9038 127.6017 56.2671 30.8875 176.3916 25 R 4.7542 8.6292 117.7194 55.3438 33.1038 174.0425 26 Q 5.2069 8.3558 120.9210 54.2690 31.9656 174.3742 27 F 4.7643 7.7212 111.2110 55.5101 41.3626 171.6398 28 P 4.7386 0.0000 0.0000 62.8484 32.1090 175.6658 29 H 4.4755 8.9060 124.8897 55.3089 30.5900 174.3084 30 P 4.5030 0.0000 0.0000 64.1426 30.9771 175.7665 31 L 4.4060 8.1507 118.4698 56.0060 47.7430 174.5862 32 Y 4.9027 8.0063 113.3417 57.3343 38.6648 175.3994 33 G 4.0184 7.3908 112.5177 44.7378 0.0000 172.8321 34 K 4.3696 7.0746 117.9899 51.6723 34.7917 174.8848 35 V 4.2820 8.3910 127.9076 62.6968 32.5516 174.8528 36 I 4.3929 8.1885 121.6253 58.9268 39.8470 174.8283 37 K 4.6079 8.4985 125.8197 55.8158 33.6607 176.0629 38 R 4.9223 9.0298 124.8131 56.4854 33.8033 173.5537 39 S 5.1654 8.5310 110.1096 58.5109 65.2763 175.0637 40 K 4.4955 8.7944 120.6001 55.4623 35.8079 174.2436 41 K 5.0157 8.3944 125.2104 55.2369 34.1225 175.4186 42 Y 4.5955 8.8017 121.1643 56.2550 41.9104 175.1182 43 L 4.9661 8.8028 123.5773 53.7810 41.4304 175.8665 44 A 4.6091 8.6762 125.9589 51.6135 20.6394 175.4613 45 H 4.8244 8.9723 121.4021 55.3618 31.5536 173.6959 46 D 5.2653 8.4471 126.6100 51.3225 41.1630 174.2912 47 P 4.4026 0.0000 0.0000 63.8512 31.6522 177.4577 48 E 4.4645 7.9061 117.1322 55.4759 30.9001 175.6137 49 E 3.8980 7.7286 118.3528 57.4108 27.4502 175.5816 50 K 4.2233 7.9514 115.6265 56.7826 34.1521 175.7370 51 Y 4.5772 8.2793 119.1711 56.3453 38.8925 175.4151 52 K 4.5369 8.6424 124.4063 54.2518 35.0149 175.7625 53 L 3.8701 8.2910 120.8038 56.9987 42.3603 176.6816 54 G 3.8458 9.3950 113.4034 46.7816 0.0000 172.0829 55 D 5.1923 7.9096 118.2375 51.9801 44.3185 175.7703 56 V 4.4166 8.2937 123.1910 62.5945 32.7625 175.3504 57 V 4.8800 8.6863 120.1663 59.7223 36.5753 173.8276 58 E 4.8684 8.6635 120.3346 54.7854 32.2124 175.5780 59 I 4.8527 8.5525 124.3498 59.4247 40.5396 174.2454 60 I 5.0227 8.4500 126.7936 58.6719 40.6262 174.2691 61 E 3.6029 8.6833 130.0132 57.2576 29.8974 176.1190 62 S 4.6460 7.7283 119.9856 56.6846 67.4444 173.9133 63 R 3.8346 8.5634 122.0036 55.7224 30.3179 174.5051 64 P 4.1206 0.0000 0.0000 63.5068 31.8519 175.6715 65 I 4.2069 8.4466 123.3787 62.6052 38.6436 175.3553 66 S 4.4290 7.2954 111.2231 57.2297 64.7705 172.8527 67 K 4.1058 8.5319 121.5451 56.4199 32.6692 176.0049 68 R 3.5576 8.3422 116.0592 57.0966 29.2033 175.3793 69 K 4.5650 9.1660 118.5837 55.5199 32.7920 176.0000 70 R 4.8258 8.2484 129.1629 54.5963 31.3614 175.4003 71 F 5.0141 7.7788 113.6612 56.7473 43.9738 174.5102 72 R 4.9404 8.7636 119.7696 54.3955 33.9365 175.5983 73 V 4.1789 8.0078 121.3711 61.9069 28.9151 175.6866 74 L 3.6218 8.2646 122.1892 56.0270 42.5168 178.4698 75 R 4.7343 7.4341 113.2475 55.3460 33.3550 173.0779 76 L 4.4855 8.5276 120.9379 54.8179 43.3293 175.0413 77 V 4.4689 8.4433 118.2970 63.2007 32.9267 174.8146 78 E 4.7014 7.7417 115.7558 55.1271 32.9958 173.6284 79 S 4.6234 9.3422 118.0784 60.3041 61.9870 177.6379 80 G 3.8883 7.6843 105.4322 46.3547 0.0000 175.3379 81 R 4.8803 8.0407 129.6108 53.1523 31.4648 177.6295 82 M 4.1516 8.4798 119.9231 58.4872 31.8639 177.2682 83 D 4.4138 7.6467 118.2065 56.9957 39.1848 178.8295 84 L 3.9824 7.7266 120.6929 57.1233 41.7710 179.8471 85 V 3.6727 7.7682 117.2253 66.1916 31.4039 177.1985 86 E 3.9077 9.1378 119.0552 59.7766 29.3569 179.3079 87 K 3.8292 8.2193 117.9309 60.0969 32.2554 178.2376 88 Y 4.2766 8.1635 119.1894 60.9692 38.0552 178.5449 89 L 3.6296 8.4105 119.7334 57.7623 41.8738 179.2851 90 I 3.7546 7.8950 119.9282 64.4207 36.8570 178.0525 91 R 3.6691 7.6050 118.0538 59.7276 30.0807 177.8759 92 R 3.1584 7.5415 117.8313 59.3459 29.6192 178.0712 93 Q 3.8742 9.1305 119.6619 59.4600 28.8879 178.8751 94 N 4.0649 8.9718 117.6582 57.8692 38.5414 178.5227 95 Y 4.1007 7.7693 116.3651 60.6698 38.6681 177.9657 96 E 3.9415 8.2042 120.8000 59.5444 29.7829 179.2907 97 S 4.4626 8.3569 109.8333 59.4444 62.9263 174.3994 98 L 4.6088 8.3899 121.5188 55.3134 43.2687 178.5844 99 S 4.8493 7.2563 117.2735 57.5777 62.5193 177.3783 100 K 4.4408 8.3794 113.4108 55.2852 32.3103 176.6041 *101 R 4.1415 7.7645 120.1298 56.4122 30.0213 177.1133 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 P 0.00 4.30 0.00 2.19 2.14 0.00 3.74 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 1.88 1.99 0.00 3 K 8.78 3.88 0.00 1.74 1.95 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 K 9.17 4.01 0.00 1.94 1.84 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.50 7.81 5 V 8.17 5.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 6 L 8.92 4.84 0.00 1.07 1.18 -0.04 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.88 4.86 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 8 G 8.00 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 0.00 0.00 0.00 9 V 8.07 4.86 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 0.99 0.00 0.00 0.90 0.00 0.00 10 V 8.24 4.28 2.24 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 0.71 0.00 0.00 1.00 0.00 0.00 11 V 7.89 4.48 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 0.42 0.00 0.00 0.47 0.00 0.00 12 S 7.55 4.79 0.00 3.92 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.88 0.00 2.79 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 14 K 7.44 4.42 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.34 4.84 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 16 Q 8.59 4.30 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 17 K 8.91 4.10 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 T 7.57 5.02 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 1.33 0.00 0.00 19 V 9.01 4.65 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 0.99 0.00 0.00 0.95 0.00 0.00 20 T 8.36 4.95 4.22 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 1.19 0.00 0.00 21 V 8.86 4.73 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 0.94 0.00 0.00 0.85 0.00 0.00 22 L 8.73 4.49 0.00 1.41 1.32 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.37 4.60 2.33 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 1.02 0.00 0.00 1.01 0.00 0.00 24 E 8.90 4.97 0.00 1.89 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 0.00 2.30 2.30 0.00 25 R 8.63 4.75 0.00 1.96 2.05 0.00 2.86 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 26 Q 8.36 5.21 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 27 F 7.72 4.76 0.00 3.16 3.18 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 0.00 0.00 0.00 0.00 28 P 0.00 4.74 0.00 2.06 2.10 0.00 3.84 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 2.09 2.14 0.00 29 H 8.91 4.48 0.00 3.40 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.50 0.00 2.18 2.15 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 31 L 8.15 4.41 0.00 1.41 1.32 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.01 4.90 0.00 2.66 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 33 G 7.39 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 0.00 0.00 0.00 34 K 7.07 4.37 0.00 1.88 1.67 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 V 8.39 4.28 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 0.83 0.00 0.00 0.93 0.00 0.00 36 I 8.19 4.39 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.87 0.00 0.00 37 K 8.50 4.61 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 38 R 9.03 4.92 0.00 1.94 1.96 0.00 3.36 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 S 8.53 5.17 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.50 0.00 1.74 1.63 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.69 1.10 7.81 41 K 8.39 5.02 0.00 1.58 1.63 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.40 7.81 42 Y 8.80 4.60 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.80 4.97 0.00 1.75 1.71 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.68 4.61 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 45 H 8.97 4.82 0.00 3.33 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.45 5.27 0.00 2.85 2.56 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 0.00 0.00 0.00 0.00 47 P 0.00 4.40 0.00 2.22 2.14 0.00 3.75 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 48 E 7.91 4.46 0.00 1.81 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 2.20 2.21 0.00 49 E 7.73 3.90 0.00 2.03 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 2.28 2.23 0.00 50 K 7.95 4.22 0.00 1.58 1.71 0.00 1.25 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.89 0.32 7.81 51 Y 8.28 4.58 0.00 3.10 2.90 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 0.00 0.00 0.00 52 K 8.64 4.54 0.00 1.87 1.83 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.51 7.81 53 L 8.29 3.87 0.00 1.63 1.67 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.39 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 55 D 7.91 5.19 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.42 2.06 0.00 0.00 0.00 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 0.97 0.00 0.00 57 V 8.69 4.88 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 0.47 0.00 0.00 0.72 0.00 0.00 58 E 8.66 4.87 0.00 1.85 1.76 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 2.17 2.20 0.00 59 I 8.55 4.85 1.47 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.85 0.68 0.00 0.00 60 I 8.45 5.02 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 1.14 1.51 1.00 0.00 0.00 61 E 8.68 3.60 0.00 2.10 1.78 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 2.11 1.94 0.00 62 S 7.73 4.65 0.00 3.66 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 63 R 8.56 3.83 0.00 1.73 1.81 0.00 3.41 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 P 0.00 4.12 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 65 I 8.45 4.21 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.34 0.69 0.00 0.00 66 S 7.30 4.43 0.00 3.93 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 67 K 8.53 4.11 0.00 1.82 1.75 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.43 7.81 68 R 8.34 3.56 0.00 1.87 1.94 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 69 K 9.17 4.56 0.00 1.88 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.69 7.81 70 R 8.25 4.83 0.00 1.74 1.53 0.00 3.35 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 71 F 7.78 5.01 0.00 2.97 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 72 R 8.76 4.94 0.00 1.81 1.85 0.00 3.17 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 73 V 8.01 4.18 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 -0.26 0.00 0.00 0.85 0.00 0.00 74 L 8.26 3.62 0.00 1.67 1.53 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.43 4.73 0.00 1.92 2.04 0.00 3.02 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 76 L 8.53 4.49 0.00 1.92 1.71 1.10 0.85 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 77 V 8.44 4.47 2.24 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 0.85 0.00 0.00 0.90 0.00 0.00 78 E 7.74 4.70 0.00 2.04 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 2.26 2.31 0.00 79 S 9.34 4.62 0.00 3.87 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 G 7.68 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 81 R 8.04 4.88 0.00 2.14 1.96 0.00 3.40 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 82 M 8.48 4.15 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 83 D 7.65 4.41 0.00 2.97 2.96 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 84 L 7.73 3.98 0.00 1.70 1.79 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.77 3.67 2.27 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 0.99 0.00 0.00 0.99 0.00 0.00 86 E 9.14 3.91 0.00 2.07 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 2.51 2.54 0.00 87 K 8.22 3.83 0.00 1.96 1.91 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.64 7.81 88 Y 8.16 4.28 0.00 3.00 3.23 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 89 L 8.41 3.63 0.00 1.75 1.62 0.95 0.71 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 90 I 7.89 3.75 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.91 0.00 0.00 91 R 7.61 3.67 0.00 1.84 2.02 0.00 3.27 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 92 R 7.54 3.16 0.00 1.57 1.76 0.00 2.99 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 93 Q 9.13 3.87 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 94 N 8.97 4.06 0.00 2.86 2.75 0.00 0.00 7.02 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.77 4.10 0.00 3.12 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 3.94 0.00 2.20 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 2.33 2.32 0.00 97 S 8.36 4.46 0.00 3.99 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 98 L 8.39 4.61 0.00 1.76 1.79 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.26 4.85 0.00 3.94 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 0.00 100 K 8.38 4.44 0.00 1.70 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 *101 R 7.76 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.