NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9507 8.3549 109.7264 45.7125 0.0000 175.3307 17 I 3.5774 7.2916 120.3303 62.8993 37.4118 175.6868 18 T 3.9780 7.8995 116.0784 63.7660 69.9300 174.0437 19 G 3.6750 7.5557 112.0493 44.4702 0.0000 171.0796 20 T 4.8321 7.7848 116.4126 61.4316 71.1506 173.7134 21 W 4.9440 8.6441 125.9751 54.8215 32.2893 173.8666 22 Y 5.6256 9.5644 124.7976 55.9032 41.4890 173.9705 23 N 4.8635 8.6033 122.3811 50.5176 40.8281 175.0598 24 Q 3.7215 8.6885 116.9030 59.5236 28.3258 178.5067 25 L 3.9426 7.9082 118.1626 56.9459 41.7134 178.0447 26 G 4.3841 7.5336 105.8368 45.4721 0.0000 173.5720 27 S 4.8686 8.5494 116.1118 57.7364 64.9435 173.4847 28 T 5.3278 8.2081 118.4988 61.7902 72.5696 172.8340 29 F 5.1239 9.0602 119.1452 55.1437 41.8463 173.3986 30 I 4.9051 8.8566 122.8234 59.6827 39.1619 175.0577 31 V 4.9184 8.6174 126.2085 60.1993 35.4031 174.4822 32 T 4.7106 9.1383 119.5750 61.9028 70.6327 173.2095 33 A 4.7102 8.4210 129.7156 50.5265 19.6758 177.2851 34 G 3.9278 9.7549 113.1736 44.5743 0.0000 174.5039 35 A 4.1200 8.4754 122.9524 54.7774 18.5315 178.6106 36 D 4.4359 8.0734 112.7591 53.9087 39.6264 177.2257 37 G 3.2506 8.0915 108.3100 45.4714 0.0000 173.1314 38 A 4.6911 8.2635 122.0039 51.1353 20.4918 176.6116 39 L 5.3235 8.7661 123.1171 53.4635 44.8219 175.4635 40 T 5.0424 9.2342 115.7566 59.5422 72.6674 174.5790 41 G 3.9521 7.1011 108.8292 46.7863 0.0000 171.0445 42 T 5.2136 8.0468 116.6756 62.0623 73.3559 172.4723 43 Y 4.9814 9.2477 127.2577 55.7354 40.4616 172.6532 44 E 5.0807 8.7150 128.1418 56.0955 35.8434 177.0950 *48 G 3.9301 8.6750 108.9572 44.7073 0.0000 171.7714 49 N 4.5032 7.9331 116.8708 51.5972 38.4396 175.9271 50 A 3.9693 8.4687 123.7923 55.1442 18.6081 178.9224 51 E 3.9426 7.5893 111.0501 57.3040 29.9558 176.8963 52 S 4.6328 7.8773 113.7933 58.1008 62.7843 172.3124 53 R 4.9861 7.3693 120.2121 55.8080 30.8273 175.0366 54 Y 4.9372 9.2328 123.8310 55.9231 42.3214 175.0435 55 V 4.3826 8.5877 122.5147 62.7483 32.4593 175.0885 56 L 5.1273 8.7357 127.3816 54.3664 43.6509 175.1989 57 T 4.8592 8.4120 114.3608 61.2105 71.6611 172.9766 58 G 4.3199 8.5320 112.1793 46.2488 0.0000 171.9486 59 R 6.0300 8.9302 117.2423 53.7766 34.6668 174.3442 60 Y 5.2681 8.2588 117.7998 55.2386 41.6805 174.5697 61 D 4.2867 9.4013 120.9818 54.4022 40.4642 176.6889 62 S 4.3862 8.1090 120.3148 58.8475 63.7037 175.0297 63 A 4.6791 8.2282 124.0518 49.9967 18.9792 174.1816 64 P 4.7162 0.0000 0.0000 60.8242 32.6065 177.3131 65 A 4.0723 8.4344 122.0802 53.4773 19.1877 178.3081 66 T 4.6557 8.2205 116.5385 62.5781 67.9545 174.6015 67 D 4.6918 7.8525 115.2061 52.8633 41.4276 176.9940 68 G 4.0351 8.4561 107.6472 45.5331 0.0000 174.5016 69 S 4.2884 8.4799 116.0320 58.2274 63.3507 174.2654 70 G 4.0304 8.3426 110.2145 46.3167 0.0000 172.4160 71 T 4.8506 8.4838 116.0368 61.6620 70.4387 174.8012 72 A 4.8400 8.7244 129.0124 52.0414 20.1591 175.9063 73 L 5.0477 8.9534 120.4678 55.3734 44.7133 174.2854 74 G 4.6445 9.3977 105.6404 45.3804 0.0000 172.0224 75 W 5.7851 8.7372 117.7799 55.5546 32.3455 173.3934 76 T 5.2514 9.4820 116.4434 61.8010 72.2694 173.4952 77 V 4.3960 8.7515 123.9657 60.9670 34.7272 173.8464 78 A 4.6076 8.2816 129.5560 49.5724 20.0951 178.0658 79 W 4.1173 8.1932 126.8718 55.4930 27.9913 176.1080 80 K 5.2483 7.7582 118.4023 54.6936 34.1152 174.7363 81 N 4.9629 9.1282 122.7614 52.1271 39.5918 174.3398 82 N 4.3487 8.7556 113.6780 56.0974 38.8283 175.3942 83 Y 4.4904 7.4301 114.6444 58.8188 39.3959 175.5363 84 R 4.6424 9.1028 114.8233 55.2198 32.5540 173.6672 85 N 5.1465 8.4491 116.2568 52.5150 40.5483 173.5226 86 A 4.3182 9.0633 128.6256 51.7045 19.8032 176.2727 87 H 4.1563 8.4719 113.7606 56.0477 26.9468 173.0621 88 S 5.1367 7.4729 111.5321 58.1046 66.9325 174.2249 89 A 4.9468 8.9076 120.3467 50.9264 22.7227 175.3699 90 T 4.9442 8.8173 118.0432 61.7018 71.8873 173.3586 91 T 4.8555 8.5167 115.3795 59.5702 71.9583 172.6835 92 W 4.8811 8.5633 124.3605 54.7707 31.9664 174.5367 93 S 4.7026 8.6402 119.2106 56.6961 64.8546 172.7545 94 G 4.2511 8.3516 113.5231 46.7661 0.0000 171.7035 95 Q 5.3223 8.6641 118.7730 55.0009 32.9463 173.4556 96 Y 4.9710 9.0782 122.7069 56.5823 40.9050 174.2313 97 V 4.1587 8.5801 126.7984 60.8453 34.0664 175.7424 98 G 3.7739 8.0456 116.0121 45.2361 0.0000 170.0572 99 G 3.8469 8.5759 104.6673 43.8140 0.0000 173.4959 100 A 4.1802 8.4437 120.8664 53.2982 19.4724 177.6148 101 E 4.5771 7.7519 116.5310 54.7810 27.6413 175.4393 102 A 4.6195 7.5024 123.5481 52.1893 20.5058 178.0554 103 R 5.5061 9.0303 116.6981 54.9304 34.0228 173.8490 104 I 5.0217 8.8727 120.4317 59.7856 40.0426 174.2917 105 N 5.5255 9.3392 125.4677 51.8034 40.9289 174.2374 106 T 5.3072 8.9429 112.6187 60.2710 73.0351 172.6883 107 Q 5.2239 9.2085 122.2385 54.0733 31.9047 174.6913 108 W 5.4429 8.6263 118.4849 54.6975 32.3946 173.7491 109 L 5.1947 8.8034 120.8718 52.9450 44.5921 175.1527 110 L 5.0340 9.0422 126.4048 53.8048 44.2138 174.8802 111 T 5.0924 8.6999 123.7017 62.0501 70.8685 173.9977 112 S 5.1820 8.6004 122.2044 56.6686 65.1695 174.2953 113 G 3.8844 8.6989 111.5309 46.3940 0.0000 173.2070 114 T 4.7900 8.3560 114.7676 59.3602 72.3496 173.4712 115 T 4.1215 8.0461 112.0719 61.0303 70.0762 175.0980 116 E 3.9355 8.9273 121.1061 59.6946 29.5613 179.8018 117 A 4.2191 7.5336 120.6601 54.3986 18.8897 177.7675 118 N 4.7955 7.9673 111.0981 52.9659 39.0844 176.7088 119 A 4.1848 7.9515 122.4126 54.0860 18.6445 180.4915 120 W 4.3152 8.3157 112.5579 58.4839 28.4590 176.7440 121 K 4.0825 6.4085 117.9813 56.1079 32.3410 176.9870 122 S 4.3261 7.6033 114.4363 60.2306 63.8234 173.2346 123 T 5.0822 7.4063 117.4214 61.9441 71.4211 173.3569 124 L 4.6505 8.6482 127.1229 53.7198 43.6150 176.3037 125 V 4.4564 7.7481 120.7314 60.3402 34.8136 175.0057 126 G 3.1182 6.5185 107.5345 45.8531 0.0000 171.3287 127 H 5.4997 8.1075 113.6293 54.3918 32.2592 172.7304 128 A 4.5833 9.0544 118.3790 51.5110 23.0083 175.3385 129 T 5.1318 8.5406 118.8448 61.8699 70.9570 173.9495 130 F 5.2844 9.4799 124.4756 56.0275 42.4956 174.2345 131 T 5.1649 10.1085 117.6855 60.1075 70.3928 173.9011 132 K 3.6688 7.6795 126.3546 55.6806 31.7065 176.4046 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 16 G 8.35 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 17 I 7.29 3.58 1.36 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.60 0.00 0.00 18 T 7.90 3.98 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 1.19 0.00 0.00 19 G 7.56 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.78 4.83 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 21 W 8.64 4.94 0.00 1.78 2.62 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 22 Y 9.56 5.63 0.00 2.90 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 23 N 8.60 4.86 0.00 2.38 2.25 0.00 0.00 6.52 6.94 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 24 Q 8.69 3.72 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 25 L 7.91 3.94 0.00 1.70 1.87 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.53 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.87 0.00 4.36 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 28 T 8.21 5.33 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 1.15 0.00 0.00 29 F 9.06 5.12 0.00 2.83 2.37 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 30 I 8.86 4.91 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 0.87 0.00 0.00 31 V 8.62 4.92 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 0.84 0.00 0.00 0.78 0.00 0.00 32 T 9.14 4.71 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 1.19 0.00 0.00 33 A 8.42 4.71 0.69 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 34 G 9.75 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.48 4.12 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 36 D 8.07 4.44 0.00 2.79 2.79 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 37 G 8.09 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 38 A 8.26 4.69 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 39 L 8.77 5.32 0.00 1.99 1.57 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.23 5.04 4.23 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 1.21 0.00 0.00 41 G 7.10 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 42 T 8.05 5.21 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 1.39 0.00 0.00 43 Y 9.25 4.98 0.00 2.94 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 44 E 8.72 5.08 0.00 2.04 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 2.23 2.11 0.00 *48 G 8.68 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.93 4.50 0.00 2.97 2.90 0.00 0.00 6.02 8.04 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 50 A 8.47 3.97 1.26 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 51 E 7.59 3.94 0.00 1.93 1.17 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 2.10 2.07 0.00 52 S 7.88 4.63 0.00 4.11 3.93 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 0.00 0.00 0.00 53 R 7.37 4.99 0.00 1.93 1.93 0.00 3.54 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 54 Y 9.23 4.94 0.00 2.88 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 55 V 8.59 4.38 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 0.80 0.00 0.00 0.95 0.00 0.00 56 L 8.74 5.13 0.00 1.91 1.66 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.41 4.86 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 58 G 8.53 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 0.00 0.00 0.00 0.00 59 R 8.93 6.03 0.00 1.76 1.78 0.00 3.29 0.00 0.00 3.33 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 60 Y 8.26 5.27 0.00 3.08 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 61 D 9.40 4.29 0.00 2.76 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 62 S 8.11 4.39 0.00 3.89 3.35 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 63 A 8.23 4.68 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 64 P 0.00 4.72 0.00 2.27 2.17 0.00 3.47 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.43 4.07 1.30 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 0.00 0.00 0.00 66 T 8.22 4.66 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 1.24 0.00 0.00 67 D 7.85 4.69 0.00 2.71 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 0.00 68 G 8.46 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.48 4.29 0.00 3.89 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 70 G 8.34 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 0.00 0.00 0.00 0.00 71 T 8.48 4.85 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 72 A 8.72 4.84 1.30 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 0.00 0.00 0.00 73 L 8.95 5.05 0.00 2.05 1.93 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.40 4.64 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 0.00 0.00 0.00 75 W 8.74 5.79 0.00 3.42 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 76 T 9.48 5.25 4.27 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 1.22 0.00 0.00 77 V 8.75 4.40 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 -0.63 0.00 0.00 0.79 0.00 0.00 78 A 8.28 4.61 1.16 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 0.00 0.00 0.00 79 W 8.19 4.12 0.00 3.31 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 80 K 7.76 5.25 0.00 1.91 1.72 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.46 7.81 81 N 9.13 4.96 0.00 2.85 2.71 0.00 0.00 6.68 7.77 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 82 N 8.76 4.35 0.00 1.67 2.54 0.00 0.00 6.68 7.46 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 83 Y 7.43 4.49 0.00 3.18 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 84 R 9.10 4.64 0.00 1.98 2.10 0.00 3.21 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 85 N 8.45 5.15 0.00 2.67 2.64 0.00 0.00 6.91 7.96 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 86 A 9.06 4.32 1.26 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 87 H 8.47 4.16 0.00 3.35 3.31 0.00 5.66 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 88 S 7.47 5.14 0.00 4.02 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 89 A 8.91 4.95 1.17 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 90 T 8.82 4.94 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 -0.79 0.00 0.00 91 T 8.52 4.86 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 1.13 0.00 0.00 92 W 8.56 4.88 0.00 1.78 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 0.00 0.00 0.00 93 S 8.64 4.70 0.00 3.83 3.64 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 94 G 8.35 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 95 Q 8.66 5.32 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.08 4.97 0.00 3.05 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 97 V 8.58 4.16 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 0.84 0.00 0.00 0.91 0.00 0.00 98 G 8.05 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 0.00 0.00 0.00 99 G 8.58 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 0.00 100 A 8.44 4.18 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 0.00 101 E 7.75 4.58 0.00 1.92 1.89 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 2.21 2.23 0.00 102 A 7.50 4.62 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.03 5.51 0.00 2.02 2.17 0.00 2.79 0.00 0.00 3.71 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 104 I 8.87 5.02 1.87 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.27 1.17 0.00 0.00 105 N 9.34 5.53 0.00 2.70 2.80 0.00 0.00 6.05 7.83 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 0.00 106 T 8.94 5.31 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 107 Q 9.21 5.22 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 108 W 8.63 5.44 0.00 2.69 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.80 5.19 0.00 1.50 1.54 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.04 5.03 0.00 1.63 1.69 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.70 5.09 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 0.00 112 S 8.60 5.18 0.00 3.71 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 0.00 113 G 8.70 3.88 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 0.00 0.00 0.00 114 T 8.36 4.79 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 1.24 0.00 0.00 115 T 8.05 4.12 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 1.21 0.00 0.00 116 E 8.93 3.94 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 2.42 2.40 0.00 117 A 7.53 4.22 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 0.00 118 N 7.97 4.80 0.00 2.75 2.69 0.00 0.00 6.76 7.39 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 0.00 119 A 7.95 4.18 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 0.00 120 W 8.32 4.32 0.00 3.57 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 0.00 121 K 6.41 4.08 0.00 1.21 0.74 0.00 1.29 0.00 0.00 1.26 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.85 7.81 122 S 7.60 4.33 0.00 4.08 4.05 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 0.00 123 T 7.41 5.08 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 1.18 0.00 0.00 124 L 8.65 4.65 0.00 1.84 1.70 0.98 0.61 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 0.00 125 V 7.75 4.46 1.88 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 0.52 0.00 0.00 0.70 0.00 0.00 126 G 6.52 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.11 5.50 0.00 3.20 3.13 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 9.05 4.58 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 0.00 129 T 8.54 5.13 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 1.40 0.00 0.00 130 F 9.48 5.28 0.00 3.17 3.16 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 0.00 131 T 10.11 5.16 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 1.39 0.00 0.00 132 K 7.68 3.67 0.00 0.79 1.24 0.00 1.05 0.00 0.00 1.30 0.00 0.00 2.63 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.96 0.36 7.81 * Residues marked with a * may have inaccurate shift predictions.