NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6915 8.4249 119.2071 53.8200 38.7763 173.6516 4 V 3.9594 8.0647 117.8592 60.8823 32.5466 174.6356 5 Y 4.8002 8.0885 118.9531 57.0077 42.1909 172.8600 6 T 4.1759 7.6200 121.4534 61.4982 71.8890 173.2435 7 A 4.5556 8.0024 128.4595 50.2720 21.5789 175.2096 8 E 4.8159 8.3055 119.7641 54.4797 33.2879 174.1400 9 A 5.1857 8.5507 126.2123 50.6933 22.9414 175.1756 10 T 4.6899 9.1326 116.4791 61.5914 72.0479 172.9661 11 A 5.3927 8.7106 127.2729 50.3808 21.5115 175.6947 12 T 4.4390 8.5961 112.2684 60.2912 71.6680 173.5088 13 G 4.0786 8.5676 110.6763 44.1037 0.0000 172.6571 14 G 3.6189 8.5019 106.5315 47.1061 0.0000 175.2556 15 R 4.3750 8.2998 121.9123 56.5327 27.9586 181.0016 16 A 4.4039 7.7682 118.4849 51.9697 18.2125 177.7491 17 G 3.9855 7.9954 106.8557 48.2935 0.0000 173.5754 18 T 5.3177 8.6275 111.3345 60.0123 73.2100 172.4736 19 T 5.1780 9.0033 116.7141 60.5570 70.9707 172.8578 20 R 5.2828 8.8524 126.9106 54.5690 34.8413 174.9314 21 S 4.9591 9.0005 119.1389 57.7782 64.1486 175.7265 22 S 4.1942 8.9077 116.8056 60.6815 62.7775 174.8412 23 D 4.7212 7.9851 118.3915 52.6741 39.3783 176.6356 24 D 4.5989 8.1102 117.3457 55.0871 39.3303 175.2373 25 R 4.0626 8.4491 119.1203 58.1678 30.4855 176.8185 26 L 4.6839 8.2293 118.4631 52.9319 44.1120 176.1454 27 N 5.5021 8.6736 121.9787 51.7013 39.2703 172.0300 28 L 4.8823 8.8220 122.1492 52.3408 45.4320 175.6552 29 D 5.0780 8.6337 122.1373 53.9745 42.6928 175.0607 30 L 5.2858 8.4386 120.6687 53.2389 44.2912 176.3711 31 S 4.7282 8.9127 118.4544 56.6579 67.2876 173.8090 32 V 3.9452 8.2784 123.3660 61.4935 32.7208 173.8358 33 P 4.5228 0.0000 0.0000 62.2950 31.9261 177.1387 34 A 4.5883 8.5724 123.9315 54.9028 18.3245 179.9030 35 E 4.0578 8.0860 113.2177 56.9052 28.5836 177.8528 *37 G 3.7934 8.1949 105.6329 45.0000 0.0000 173.8107 38 G 3.9690 7.8414 110.6742 43.9704 0.0000 174.3792 39 D 4.5021 8.5729 117.1992 53.3574 39.7740 176.5832 40 G 3.8227 7.9993 107.9844 46.6129 0.0000 174.3195 41 G 3.8854 7.9550 109.2114 43.9174 0.0000 172.7659 42 P 4.4049 0.0000 0.0000 63.9769 31.7183 176.9887 43 G 3.7787 7.7468 106.3188 46.7709 0.0000 173.6805 44 T 4.7982 8.4588 116.3429 61.4056 70.2281 172.5614 45 N 5.2346 8.3544 117.0847 50.1856 40.6291 173.8275 46 P 4.2673 0.0000 0.0000 65.8319 31.3201 178.8987 47 E 4.0389 8.1916 116.9799 59.4343 29.4452 178.9933 48 Q 4.0522 8.9227 120.1195 59.1412 29.0323 178.2514 49 L 4.0607 8.3202 120.3690 57.6596 41.5868 179.2077 50 F 4.2273 8.7209 120.7169 61.1370 39.3563 177.0799 51 A 4.0174 8.3610 120.2180 55.2300 18.3867 179.4833 52 A 4.0408 8.2853 119.5428 55.2501 18.3711 180.1754 53 G 3.7558 8.3265 105.8408 47.4431 0.0000 175.4712 54 Y 3.0202 7.9853 122.1429 59.9444 38.8800 177.7289 55 A 3.8827 8.0143 121.5567 55.1166 18.4735 179.4992 56 A 3.9289 7.7753 118.8600 55.3543 18.3361 179.4591 57 C 4.0270 8.0823 117.4160 62.6102 31.5143 175.8483 58 F 4.0694 8.4700 119.5013 60.5663 38.5424 177.7118 59 Q 4.1320 8.2667 117.6756 58.8328 28.4760 178.9720 60 G 3.5772 8.3095 106.6258 47.7638 0.0000 175.6179 61 A 3.9620 8.3388 123.6456 54.8443 18.3203 179.7274 62 L 3.9998 8.2535 117.8804 57.6981 41.5021 179.9660 63 G 3.5828 7.9330 105.6522 47.7952 0.0000 175.9488 64 V 3.5829 7.8986 121.0208 65.6720 31.5689 178.3352 65 V 3.5908 8.0205 118.4580 65.8609 31.2710 178.2039 66 S 4.1345 8.1073 114.1931 61.3958 62.6342 176.7900 67 R 3.8725 7.7761 121.5585 59.1660 29.6704 179.3313 68 R 3.9657 7.7932 116.3777 58.5750 30.1009 178.1648 69 Q 4.4110 7.9468 114.7473 54.2068 29.3747 175.4502 70 K 3.7543 7.6508 120.6481 58.1189 30.3998 175.5365 71 I 4.3931 7.6989 114.3267 58.2679 37.8350 177.0891 72 D 4.8596 8.3522 118.7493 53.4905 42.2183 176.0312 73 V 4.1427 8.2426 124.6399 61.0602 32.4729 174.1889 74 P 3.8328 0.0000 0.0000 65.3547 31.5607 175.6870 75 A 3.8927 7.6204 122.8727 54.4576 18.8533 179.0789 76 D 4.6953 8.7174 117.6578 53.3569 38.2420 174.0051 77 S 4.5178 7.6247 114.2988 59.8370 64.3670 173.1553 78 T 4.6561 8.3797 117.0809 60.4109 70.9302 172.3961 79 I 4.8568 8.3433 128.2648 59.7807 40.1528 174.7193 80 T 4.5218 8.7716 123.8443 61.6741 70.7690 173.0733 81 A 4.8928 8.4891 128.4395 50.4261 20.9905 176.0778 82 R 4.5215 8.8509 121.7039 54.3200 32.9034 175.1817 83 V 4.8146 8.6419 124.2777 61.1784 33.7349 174.6232 84 G 4.2426 9.3033 116.0946 44.3993 0.0000 171.3917 85 L 5.0525 8.4553 125.3038 53.8164 43.3371 175.5678 86 Q 4.8345 9.1058 125.1195 53.9705 32.2492 174.8826 87 K 4.1524 8.6682 122.1067 55.5771 33.3028 177.4652 88 A 4.5511 8.2421 126.6592 50.5345 20.0126 177.0012 89 G 3.8203 7.5513 117.4394 46.3037 0.0000 174.2481 90 L 4.0457 8.6994 124.9102 54.8584 42.0549 176.0259 91 A 4.5653 7.5736 122.5399 50.8298 20.6020 175.5201 92 F 5.3822 8.4344 116.7161 55.8902 42.5717 174.8923 93 A 4.8009 9.0301 121.2057 50.5145 22.9296 175.0445 94 L 4.9406 8.4522 119.4538 53.4949 43.7200 175.5380 95 D 5.0015 9.1259 123.1515 52.4744 43.8449 174.9156 96 V 5.1478 8.4287 124.9791 61.0611 35.0062 173.6972 97 E 5.1742 9.1774 124.9968 54.4326 33.2368 174.4603 98 L 4.8595 8.9027 121.6404 52.8098 45.0809 174.9331 99 E 4.8898 9.2117 125.2214 54.4084 32.2362 174.9162 100 G 4.3150 9.0729 114.7983 45.2309 0.0000 171.7164 101 H 5.1182 8.3679 120.8729 54.3886 33.5359 172.1811 102 F 5.2161 8.5091 123.5506 53.1397 40.9018 171.4900 103 P 4.3320 0.0000 0.0000 64.1985 31.6010 177.2647 104 G 3.9738 9.0821 111.0300 45.2724 0.0000 172.8599 105 L 4.7283 7.3851 119.4328 52.8059 43.5529 177.3430 106 S 4.3259 8.6998 117.2779 58.1416 64.8277 175.4961 107 R 3.8682 8.5254 122.6749 59.8455 29.7045 178.3588 108 E 3.8988 8.1168 118.3957 59.3490 29.6616 178.6819 109 Q 3.8675 7.9879 117.4871 58.8467 28.5525 178.5513 110 A 3.3109 7.7531 120.6911 54.8928 18.4568 179.2850 111 E 4.1734 8.3067 116.6350 59.3389 29.8495 179.1161 112 G 4.0699 8.1868 106.1046 47.9484 0.0000 176.9596 113 L 3.9333 7.5021 120.7206 54.7739 41.6697 179.0593 *115 H 4.6329 8.2559 117.7842 55.9470 30.7201 175.7484 116 A 3.9503 8.1559 120.7911 55.1989 18.1224 179.5578 117 A 3.6495 8.0496 119.4484 55.4331 18.0838 179.3738 118 H 4.4284 7.8637 115.3131 59.3027 30.0648 176.6620 119 E 4.0835 7.9974 120.5859 58.7245 29.5181 178.2700 120 V 3.9545 7.0723 116.8742 63.8595 32.3108 176.1273 121 C 4.0833 8.0184 120.4119 59.0020 31.8293 172.5714 122 P 4.3826 0.0000 0.0000 66.1156 30.7734 178.1938 123 Y 3.8208 8.1105 116.3860 60.9243 37.5060 178.3100 124 S 4.5275 8.4637 116.7900 61.0508 62.8209 176.3423 125 A 4.0198 7.8671 122.2018 55.2374 18.2164 179.2648 126 A 4.1077 8.2220 118.6165 54.5459 18.7673 178.8967 127 T 4.4176 7.6783 105.4209 60.3657 69.6526 174.5028 128 R 4.1451 7.2588 123.3388 58.3608 30.4298 177.1463 129 N 4.4715 8.9247 119.6729 53.9955 37.1656 174.4533 130 N 4.6781 8.0139 114.5057 53.9293 39.9773 175.4345 131 V 4.3266 7.6318 117.2014 61.0698 33.3703 176.1166 132 D 4.6728 8.4649 128.7654 53.0626 39.4989 175.2744 133 V 3.9922 7.6305 120.9638 62.9583 33.1327 175.3638 134 R 4.6028 8.6976 126.4706 54.5110 32.2929 174.8289 135 L 5.0137 8.4465 124.1209 53.1914 43.3158 176.1499 136 K 4.7708 9.0904 122.3196 54.5488 36.8216 175.3000 137 V 4.7389 8.3380 121.6648 61.5748 33.4087 174.9356 138 R 4.3143 9.6375 131.0883 59.5911 31.2640 176.6583 139 E 3.9171 7.4928 118.0648 55.0446 29.6971 178.6069 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 N 8.42 4.69 0.00 2.68 2.85 0.00 0.00 6.98 6.83 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 4 V 8.06 3.96 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 0.74 0.00 0.00 1.00 0.00 0.00 5 Y 8.09 4.80 0.00 2.79 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 6 T 7.62 4.18 4.03 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 1.07 0.00 0.00 7 A 8.00 4.56 1.24 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 0.00 0.00 0.00 8 E 8.31 4.82 0.00 1.95 1.70 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 2.24 2.26 0.00 9 A 8.55 5.19 1.18 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 0.00 0.00 10 T 9.13 4.69 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 11 A 8.71 5.39 1.19 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 0.00 0.00 0.00 12 T 8.60 4.44 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 13 G 8.57 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 0.00 0.00 0.00 14 G 8.50 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 15 R 8.30 4.38 0.00 2.04 2.02 0.00 3.27 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 16 A 7.77 4.40 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.00 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 0.00 0.00 0.00 18 T 8.63 5.32 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 1.21 0.00 0.00 19 T 9.00 5.18 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 1.23 0.00 0.00 20 R 8.85 5.28 0.00 1.76 1.75 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 21 S 9.00 4.96 0.00 3.94 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 22 S 8.91 4.19 0.00 4.00 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 0.00 23 D 7.99 4.72 0.00 2.79 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 24 D 8.11 4.60 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.45 4.06 0.00 1.93 2.01 0.00 3.37 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 26 L 8.23 4.68 0.00 1.59 1.57 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.67 5.50 0.00 2.66 2.66 0.00 0.00 7.00 7.78 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 28 L 8.82 4.88 0.00 1.74 1.52 0.94 0.91 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 29 D 8.63 5.08 0.00 2.60 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 30 L 8.44 5.29 0.00 1.50 1.53 0.96 0.61 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 31 S 8.91 4.73 0.00 3.88 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 32 V 8.28 3.95 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 0.99 0.00 0.00 0.91 0.00 0.00 33 P 0.00 4.52 0.00 2.22 1.95 0.00 3.65 0.00 0.00 3.93 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 34 A 8.57 4.59 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 35 E 8.09 4.06 0.00 1.96 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 2.32 2.38 0.00 *37 G 8.19 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 38 G 7.84 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 0.00 0.00 0.00 39 D 8.57 4.50 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 G 8.00 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 41 G 7.96 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 42 P 0.00 4.40 0.00 2.19 2.18 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 43 G 7.75 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 0.00 0.00 0.00 44 T 8.46 4.80 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 1.29 0.00 0.00 45 N 8.35 5.23 0.00 2.82 3.03 0.00 0.00 5.98 7.76 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 46 P 0.00 4.27 0.00 2.14 2.13 0.00 3.56 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 2.06 2.16 0.00 47 E 8.19 4.04 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 2.42 0.00 48 Q 8.92 4.05 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 49 L 8.32 4.06 0.00 1.95 1.79 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.72 4.23 0.00 3.33 3.33 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 51 A 8.36 4.02 1.46 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 0.00 0.00 0.00 52 A 8.29 4.04 1.36 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 0.00 0.00 0.00 53 G 8.33 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 54 Y 7.99 3.02 0.00 2.72 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 55 A 8.01 3.88 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 56 A 7.78 3.93 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 57 C 8.08 4.03 0.00 2.58 2.84 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 58 F 8.47 4.07 0.00 3.26 3.14 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 59 Q 8.27 4.13 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 60 G 8.31 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 61 A 8.34 3.96 1.19 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 0.00 0.00 0.00 62 L 8.25 4.00 0.00 1.92 1.80 1.16 1.02 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 63 G 7.93 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 64 V 7.90 3.58 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 0.96 0.00 0.00 0.95 0.00 0.00 65 V 8.02 3.59 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 0.95 0.00 0.00 0.89 0.00 0.00 66 S 8.11 4.13 0.00 4.31 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 67 R 7.78 3.87 0.00 1.82 2.01 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 68 R 7.79 3.97 0.00 1.79 1.98 0.00 3.14 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 69 Q 7.95 4.41 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 70 K 7.65 3.75 0.00 2.09 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.23 7.81 71 I 7.70 4.39 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 1.30 0.71 0.91 0.00 0.00 72 D 8.35 4.86 0.00 2.61 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 73 V 8.24 4.14 2.14 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 1.21 0.00 0.00 0.96 0.00 0.00 74 P 0.00 3.83 0.00 2.16 2.26 0.00 3.96 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 75 A 7.62 3.89 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 76 D 8.72 4.70 0.00 2.89 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 77 S 7.62 4.52 0.00 3.77 3.52 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 0.00 0.00 0.00 0.00 78 T 8.38 4.66 4.13 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 0.00 0.00 1.10 0.00 0.00 79 I 8.34 4.86 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.18 0.83 0.00 0.00 80 T 8.77 4.52 4.16 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 0.00 0.00 0.00 1.16 0.00 0.00 81 A 8.49 4.89 1.09 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 0.00 0.00 82 R 8.85 4.52 0.00 1.69 1.82 0.00 3.22 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 83 V 8.64 4.81 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 0.97 0.00 0.00 1.22 0.00 0.00 84 G 9.30 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 0.00 0.00 0.00 0.00 85 L 8.46 5.05 0.00 1.65 1.62 0.92 0.55 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 86 Q 9.11 4.83 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 87 K 8.67 4.15 0.00 1.56 1.52 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.48 7.81 88 A 8.24 4.55 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.55 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 90 L 8.70 4.05 0.00 1.60 1.68 0.90 0.67 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 91 A 7.57 4.57 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 92 F 8.43 5.38 0.00 2.85 2.91 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 0.00 0.00 0.00 93 A 9.03 4.80 1.20 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 94 L 8.45 4.94 0.00 1.45 1.54 0.20 0.86 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 95 D 9.13 5.00 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 5.15 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 0.89 0.00 0.00 1.24 0.00 0.00 97 E 9.18 5.17 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 2.13 2.18 0.00 98 L 8.90 4.86 0.00 1.04 0.92 -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.21 4.89 0.00 1.92 1.70 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 2.16 2.21 0.00 100 G 9.07 4.31 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 0.00 101 H 8.37 5.12 0.00 3.16 2.96 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.51 5.22 0.00 2.98 2.92 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 0.00 103 P 0.00 4.33 0.00 2.08 2.07 0.00 3.74 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 2.07 2.21 0.00 104 G 9.08 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 0.00 0.00 0.00 105 L 7.39 4.73 0.00 1.80 1.55 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.70 4.33 0.00 4.04 3.98 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 0.00 0.00 0.00 107 R 8.53 3.87 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 108 E 8.12 3.90 0.00 2.15 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 2.38 1.97 0.00 109 Q 7.99 3.87 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 110 A 7.75 3.31 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 0.00 111 E 8.31 4.17 0.00 2.12 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 0.00 2.38 2.50 0.00 112 G 8.19 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 0.00 0.00 0.00 113 L 7.50 3.93 0.00 1.37 1.46 0.34 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *115 H 8.26 4.63 0.00 3.35 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.16 3.95 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 0.00 117 A 8.05 3.65 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.86 4.43 0.00 3.43 3.63 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.00 4.08 0.00 2.05 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 0.00 2.32 2.36 0.00 120 V 7.07 3.95 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 0.83 0.00 0.00 0.90 0.00 0.00 121 C 8.02 4.08 0.00 3.00 3.02 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 0.00 122 P 0.00 4.38 0.00 2.37 2.34 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 123 Y 8.11 3.82 0.00 2.28 1.63 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 0.00 124 S 8.46 4.53 0.00 4.20 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 0.00 125 A 7.87 4.02 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 0.00 126 A 8.22 4.11 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 0.00 127 T 7.68 4.42 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 128 R 7.26 4.15 0.00 2.14 1.90 0.00 3.24 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 129 N 8.92 4.47 0.00 2.95 2.98 0.00 0.00 6.95 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.01 4.68 0.00 2.82 2.86 0.00 0.00 6.73 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 0.00 131 V 7.63 4.33 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 0.87 0.00 0.00 0.98 0.00 0.00 132 D 8.46 4.67 0.00 2.69 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 0.00 133 V 7.63 3.99 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 0.76 0.00 0.00 1.14 0.00 0.00 134 R 8.70 4.60 0.00 1.76 1.78 0.00 3.15 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 135 L 8.45 5.01 0.00 1.44 1.55 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 136 K 9.09 4.77 0.00 1.62 1.63 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.31 7.81 137 V 8.34 4.74 2.14 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 0.91 0.00 0.00 1.01 0.00 0.00 138 R 9.64 4.31 0.00 1.96 1.98 0.00 3.34 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 139 E 7.49 3.92 0.00 2.05 1.65 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 2.23 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.