NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2983 8.2493 123.5869 52.0195 19.8955 175.8927 3 R 4.6440 8.0652 115.6741 54.6704 30.2840 173.0577 4 I 4.5451 7.5946 119.5079 62.4679 46.1009 176.6119 5 A 4.1298 8.3361 122.7891 52.9174 20.8523 182.0986 6 G 3.2523 8.4460 105.6199 45.6538 0.0000 176.0948 7 V 4.4774 5.4500 117.9159 62.2840 33.8041 174.3561 8 E 4.2442 8.2647 117.9698 56.0645 29.9001 176.8929 9 I 4.4894 7.9460 122.8367 60.3316 39.0075 172.1836 10 P 4.9153 0.0000 0.0000 61.5951 32.6289 175.5674 11 R 4.6093 7.8929 118.4324 55.4722 34.2580 175.0391 12 N 4.2792 8.9246 113.5614 53.9578 36.7074 174.2400 13 K 4.8518 7.3568 118.6614 54.5204 35.3769 174.5266 14 R 4.4862 8.2324 118.0536 56.1009 31.9338 177.5722 15 V 3.6395 8.0732 117.7217 64.7718 31.3940 178.5904 16 D 4.3449 8.0048 117.3850 56.2893 39.3840 178.0827 17 V 3.8281 7.6034 117.7871 63.8743 31.7979 177.6179 18 A 3.5104 7.6578 120.9893 55.1015 17.9932 179.3363 19 L 3.9377 7.4914 115.9098 58.2720 41.6805 179.3182 20 T 4.2645 7.1469 116.3083 65.7515 69.5137 175.3308 21 Y 4.8481 7.6310 118.1711 57.1017 36.4266 176.4275 22 I 4.5644 7.1631 119.9029 60.0801 41.6502 174.2387 23 Y 4.3633 8.4773 126.7306 59.0940 38.7424 176.2055 24 G 3.7566 8.6142 115.3872 44.9554 0.0000 172.8460 25 I 4.1267 7.8539 121.3981 59.1479 39.3309 174.9962 26 G 4.1010 7.9757 110.8058 41.7919 0.0000 172.6971 27 K 3.8140 8.6071 119.2901 60.1517 31.5724 177.5790 28 A 4.0180 7.9114 119.6707 55.1014 18.6504 178.9267 29 R 3.9436 7.5692 113.0894 58.0465 30.1291 178.3071 30 A 4.3731 8.0169 122.4634 54.2003 18.3276 178.9445 31 K 4.1880 8.0883 117.7410 57.4123 32.4971 178.9224 32 E 4.1918 8.1420 120.6397 59.2099 29.7700 177.6165 33 A 4.6666 7.8690 117.8835 52.9370 18.7505 178.4345 34 L 4.3617 7.7434 118.2930 55.8704 42.0698 178.3896 35 E 4.0563 7.6954 116.5734 58.7677 29.9503 178.8848 36 K 3.7689 7.7045 118.1644 58.6969 32.2000 177.9962 37 T 3.9446 7.2858 105.7212 61.2942 69.5147 174.4896 38 G 3.8956 7.4191 110.3888 47.1644 0.0000 173.7988 39 I 4.5177 7.4900 117.8572 58.7553 39.0723 175.8507 40 N 4.4997 8.5250 123.1186 52.7493 39.5720 173.4779 41 P 4.0368 0.0000 0.0000 65.7528 31.7932 177.3090 42 A 4.0819 8.2080 119.8070 55.3620 18.3733 178.4942 43 T 3.8810 7.3379 105.6843 61.8977 69.1096 174.0971 44 R 4.2708 8.4582 124.4476 56.2568 30.6775 177.7326 45 V 3.8245 8.3648 120.7371 64.4861 31.7356 177.4698 46 K 4.1618 7.9381 117.9508 59.4909 32.8074 176.9005 47 D 4.6030 7.7138 119.0934 51.6406 39.8239 173.5099 48 L 4.5334 8.3141 125.2295 55.0032 43.5272 176.4560 49 T 3.6296 7.8926 118.4771 60.5403 70.3311 174.0427 50 E 3.9604 9.0994 124.8735 59.6979 29.3927 179.7021 51 A 4.0268 7.8923 120.0443 55.0700 18.8144 179.0136 52 E 3.5231 8.2271 116.6437 59.7000 29.3359 179.9253 53 V 3.5711 7.8104 117.9462 65.8270 31.7454 177.9214 54 V 3.5553 7.5534 117.7300 66.2226 31.1644 177.5189 55 R 3.8659 8.7737 119.3218 59.6514 29.6733 177.9773 56 L 4.0021 7.7646 119.5405 58.1455 42.0191 178.9005 57 R 3.9272 8.3989 118.9482 59.8024 29.5655 177.6269 58 E 3.8853 8.6072 118.3050 60.9030 29.4050 178.3953 59 Y 4.0667 8.2320 118.7712 60.8830 38.4154 178.4769 60 V 3.1489 8.0581 116.9129 66.5673 31.7076 177.7742 61 E 4.0690 8.5838 121.3082 59.0675 29.5786 178.3344 62 N 4.6312 7.2438 113.3682 55.0032 39.9379 176.2547 63 T 3.4397 7.5381 116.7624 65.6073 68.8062 173.7494 64 W 4.9954 6.2857 118.8512 55.1964 30.2744 174.0617 65 K 4.7819 8.7903 118.2001 55.5864 34.4326 176.9715 66 L 4.3981 8.0131 123.7635 54.6062 44.0150 175.2212 67 E 3.9353 8.6969 124.3158 57.2063 29.9379 177.4925 68 G 4.1728 9.4695 120.4058 47.4740 0.0000 174.6736 69 E 3.8685 8.1666 120.1622 59.0419 29.5027 178.5881 70 L 4.1582 8.7913 120.4891 57.9512 42.2889 178.7844 71 R 4.2074 8.1778 118.0275 59.1424 30.0965 178.1609 72 A 4.0634 8.8422 122.0383 54.7878 18.3277 179.1809 73 E 3.9552 7.7976 116.8581 59.3092 29.6142 178.7178 74 V 3.5662 8.0067 118.1542 66.0522 31.7560 177.6387 75 A 3.9782 8.1551 119.7965 55.1758 18.1566 179.3151 76 A 3.9493 7.7876 118.6260 55.5095 18.4745 179.4728 77 N 4.2570 8.2639 114.7936 56.7840 38.4509 177.6546 78 I 3.9245 7.3508 119.4485 64.1747 37.2795 178.5464 79 K 4.0890 7.8741 119.0461 59.4666 31.9047 178.9620 80 R 3.8859 8.0735 119.0773 59.7574 29.9909 178.0004 81 L 4.1745 8.4827 117.5162 56.6670 41.2970 178.8858 82 M 3.9684 9.1927 118.4778 56.6936 31.9568 178.4231 83 D 4.3519 8.4644 110.5400 52.3569 43.7262 178.5748 84 I 3.8531 8.4912 119.9973 62.0755 37.6017 175.8743 85 G 4.2450 9.0471 110.9631 46.4124 0.0000 173.1307 86 C 4.3793 7.9899 115.9575 57.9732 31.4516 174.7404 87 Y 4.1053 9.0145 123.7061 61.4147 37.9818 178.9395 88 R 3.9664 8.3237 117.3289 59.2100 30.2075 178.2673 89 G 4.2642 8.3836 106.9329 48.9492 0.0000 175.5422 90 L 4.2453 7.7111 124.7537 54.3862 43.4127 179.4292 91 R 3.8140 8.4975 117.4563 58.6288 29.6470 177.5686 92 H 4.5932 8.9784 114.5904 57.4102 29.9516 177.8043 93 R 3.9230 7.9140 117.3629 59.5003 29.9335 178.0048 94 R 4.0245 7.9344 113.0932 56.3524 30.3068 177.0926 95 G 3.8635 7.5376 105.8553 46.2645 0.0000 173.7719 96 L 4.5214 7.6119 119.9688 51.8353 43.5200 174.6248 97 P 4.4052 0.0000 0.0000 63.1545 31.5392 176.9631 98 V 4.3828 8.1564 121.0967 62.6021 32.5360 176.1446 99 R 4.5207 7.8276 112.2416 56.7259 30.6443 177.7214 100 G 3.9370 8.1303 98.7022 46.8819 0.0000 171.1819 101 Q 4.5794 7.8367 122.7396 53.6805 33.0872 175.1296 102 R 4.1085 8.5177 118.2830 56.4204 29.9021 176.7316 103 T 4.1942 8.4382 113.0451 62.9163 69.8461 175.7232 104 R 3.9804 8.2537 122.4069 58.8869 29.9408 175.1730 105 T 4.7124 7.4162 104.4055 60.4668 73.0248 175.4953 106 N 3.7590 9.1831 118.1012 52.5990 38.6080 175.5795 107 A 3.6999 8.7842 130.4897 53.9558 16.3469 179.5186 108 R 3.9648 7.5075 118.9048 60.4512 30.3352 179.2643 109 T 3.8950 8.0578 113.6738 66.1707 68.4321 174.8026 110 R 4.7074 7.4855 118.4641 55.2222 30.6729 175.9556 111 K 4.6102 8.0716 116.1259 54.3900 36.3604 176.6352 112 G 3.7909 9.2922 111.5060 46.4543 0.0000 171.6141 113 P 3.1736 0.0000 0.0000 61.6453 32.5470 177.1149 114 R 4.5124 8.5015 119.3989 55.7165 34.7792 176.4838 115 K 4.2836 8.8749 125.9188 57.1635 30.0674 177.5079 116 T 2.9316 6.3672 111.0850 60.9219 70.2311 175.2482 117 V 3.5828 7.7885 121.6417 62.7920 32.2640 170.9212 118 A 4.7615 8.3414 124.6491 50.2416 21.2588 175.8575 119 G 4.1442 8.1654 109.6767 43.4796 0.0000 171.5253 120 K 3.9103 8.5391 118.7613 56.7527 32.3643 175.0284 121 K 4.5930 8.0662 120.2788 55.3166 35.4283 177.5316 *122 K 4.1215 8.5281 120.1489 55.4895 32.3269 171.3481 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 8.25 4.30 1.29 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 0.00 0.00 0.00 3 R 8.07 4.64 0.00 2.04 1.97 0.00 2.66 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 4 I 7.59 4.55 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 0.97 0.00 0.00 5 A 8.34 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.45 3.25 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 0.00 7 V 5.45 4.48 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 0.84 0.00 0.00 0.94 0.00 0.00 8 E 8.26 4.24 0.00 2.20 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 2.39 2.36 0.00 9 I 7.95 4.49 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.23 0.94 0.00 0.00 10 P 0.00 4.92 0.00 2.21 2.25 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 11 R 7.89 4.61 0.00 1.87 1.83 0.00 3.30 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 N 8.92 4.28 0.00 2.89 2.93 0.00 0.00 6.72 7.61 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 13 K 7.36 4.85 0.00 1.74 1.68 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 14 R 8.23 4.49 0.00 1.91 2.03 0.00 3.34 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 15 V 8.07 3.64 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 0.98 0.00 0.00 1.03 0.00 0.00 16 D 8.00 4.34 0.00 2.81 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 17 V 7.60 3.83 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 0.91 0.00 0.00 0.88 0.00 0.00 18 A 7.66 3.51 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 19 L 7.49 3.94 0.00 1.65 1.80 1.00 0.99 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 20 T 7.15 4.26 4.18 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 1.27 0.00 0.00 21 Y 7.63 4.85 0.00 3.09 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 22 I 7.16 4.56 2.01 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 1.40 0.78 1.00 0.00 0.00 23 Y 8.48 4.36 0.00 2.77 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 24 G 8.61 3.76 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 0.00 0.00 0.00 25 I 7.85 4.13 1.95 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 1.33 1.03 0.95 0.00 0.00 26 G 7.98 4.10 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 27 K 8.61 3.81 0.00 1.85 1.82 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.58 7.81 28 A 7.91 4.02 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 29 R 7.57 3.94 0.00 1.46 1.29 0.00 2.51 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.22 0.00 30 A 8.02 4.37 1.40 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 0.00 0.00 0.00 31 K 8.09 4.19 0.00 1.76 1.90 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.45 7.81 32 E 8.14 4.19 0.00 2.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 33 A 7.87 4.67 1.75 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 34 L 7.74 4.36 0.00 1.72 1.85 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.70 4.06 0.00 2.20 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 0.00 2.40 2.27 0.00 36 K 7.70 3.77 0.00 0.79 1.03 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 1.02 7.81 37 T 7.29 3.94 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 1.24 0.00 0.00 38 G 7.42 3.90 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 0.00 0.00 0.00 39 I 7.49 4.52 1.87 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 1.33 0.89 0.97 0.00 0.00 40 N 8.52 4.50 0.00 2.79 2.67 0.00 0.00 7.21 7.71 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 41 P 0.00 4.04 0.00 2.07 2.22 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 42 A 8.21 4.08 1.29 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 0.00 0.00 0.00 43 T 7.34 3.88 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 44 R 8.46 4.27 0.00 2.07 1.90 0.00 3.46 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 45 V 8.36 3.82 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 0.85 0.00 0.00 0.98 0.00 0.00 46 K 7.94 4.16 0.00 1.91 1.94 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 47 D 7.71 4.60 0.00 2.68 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 48 L 8.31 4.53 0.00 1.96 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.89 3.63 4.30 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 0.00 0.00 0.00 1.24 0.00 0.00 50 E 9.10 3.96 0.00 1.97 2.03 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 2.41 2.35 0.00 51 A 7.89 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 3.52 0.00 2.23 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 2.40 2.39 0.00 53 V 7.81 3.57 2.25 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 1.09 0.00 0.00 1.02 0.00 0.00 54 V 7.55 3.56 2.20 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 0.95 0.00 0.00 1.03 0.00 0.00 55 R 8.77 3.87 0.00 1.94 2.09 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 56 L 7.76 4.00 0.00 2.03 1.90 1.00 0.93 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 57 R 8.40 3.93 0.00 1.99 2.16 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 58 E 8.61 3.89 0.00 2.10 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 2.58 2.51 0.00 59 Y 8.23 4.07 0.00 2.89 2.82 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 60 V 8.06 3.15 2.19 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 1.12 0.00 0.00 1.15 0.00 0.00 61 E 8.58 4.07 0.00 2.00 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 0.00 2.32 2.40 0.00 62 N 7.24 4.63 0.00 2.58 2.72 0.00 0.00 6.99 7.42 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 63 T 7.54 3.44 2.69 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 -0.18 0.00 0.00 64 W 6.29 5.00 0.00 3.36 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 65 K 8.79 4.78 0.00 1.76 1.75 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.55 7.81 66 L 8.01 4.40 0.00 1.82 1.64 1.15 1.18 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 67 E 8.70 3.94 0.00 2.23 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 2.58 2.47 0.00 68 G 9.47 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 0.00 0.00 0.00 69 E 8.17 3.87 0.00 2.19 2.03 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 2.41 2.36 0.00 70 L 8.79 4.16 0.00 1.86 1.88 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.18 4.21 0.00 2.04 2.03 0.00 2.98 0.00 0.00 2.76 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 72 A 8.84 4.06 1.41 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 0.00 0.00 73 E 7.80 3.96 0.00 2.15 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 0.00 2.32 2.32 0.00 74 V 8.01 3.57 2.30 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 0.99 0.00 0.00 1.01 0.00 0.00 75 A 8.16 3.98 1.34 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 0.00 0.00 76 A 7.79 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.26 0.00 2.89 2.90 0.00 0.00 7.08 7.36 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 78 I 7.35 3.92 2.03 0.00 0.00 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 1.49 0.57 0.77 0.00 0.00 79 K 7.87 4.09 0.00 2.01 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 80 R 8.07 3.89 0.00 1.88 2.14 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 81 L 8.48 4.17 0.00 1.90 1.72 0.97 0.88 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 82 M 9.19 3.97 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 83 D 8.46 4.35 0.00 2.87 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 0.00 0.00 0.00 0.00 84 I 8.49 3.85 1.88 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 1.35 0.82 0.92 0.00 0.00 85 G 9.05 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 0.00 0.00 0.00 0.00 86 C 7.99 4.38 0.00 3.17 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 87 Y 9.01 4.11 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.32 3.97 0.00 1.97 2.00 0.00 3.33 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 89 G 8.38 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 0.00 0.00 0.00 0.00 90 L 7.71 4.25 0.00 1.51 1.46 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.50 3.81 0.00 1.73 2.00 0.00 2.96 0.00 0.00 2.61 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.83 0.00 92 H 8.98 4.59 0.00 3.53 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.91 3.92 0.00 1.75 1.97 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 94 R 7.93 4.02 0.00 1.72 1.94 0.00 3.36 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 95 G 7.54 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.61 4.52 0.00 1.58 1.60 0.90 1.22 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 97 P 0.00 4.41 0.00 2.04 1.99 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 98 V 8.16 4.38 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 0.75 0.00 0.00 0.73 0.00 0.00 99 R 7.83 4.52 0.00 1.78 1.81 0.00 3.40 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 100 G 8.13 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 0.00 101 Q 7.84 4.58 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 102 R 8.52 4.11 0.00 1.92 1.96 0.00 3.03 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 103 T 8.44 4.19 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 1.22 0.00 0.00 104 R 8.25 3.98 0.00 1.79 2.03 0.00 3.18 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 105 T 7.42 4.71 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 0.00 106 N 9.18 3.76 0.00 2.85 2.40 0.00 0.00 6.73 7.54 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 0.00 107 A 8.78 3.70 1.40 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 0.00 0.00 0.00 108 R 7.51 3.96 0.00 2.06 2.00 0.00 3.28 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 109 T 8.06 3.89 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 0.00 110 R 7.49 4.71 0.00 1.77 2.17 0.00 3.16 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 111 K 8.07 4.61 0.00 1.69 1.64 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.58 7.81 112 G 9.29 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 0.00 0.00 0.00 113 P 0.00 3.17 0.00 2.09 1.91 0.00 3.66 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 2.00 2.15 0.00 114 R 8.50 4.51 0.00 1.74 1.79 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 115 K 8.87 4.28 0.00 1.72 1.77 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 116 T 6.37 2.93 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 0.00 117 V 7.79 3.58 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 0.73 0.00 0.00 1.00 0.00 0.00 118 A 8.34 4.76 1.21 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 0.00 0.00 119 G 8.17 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 0.00 120 K 8.54 3.91 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 121 K 8.07 4.59 0.00 1.69 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 *122 K 8.53 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.