NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5144 0.0000 0.0000 61.9910 34.0373 175.3918 3 S 5.1181 8.0556 110.9619 56.7520 65.6990 171.6599 4 I 4.7241 9.2993 125.1571 59.9729 42.6276 173.3810 5 K 5.1503 8.7367 124.7050 54.9392 34.4436 175.2822 6 L 5.0351 9.3369 124.5910 53.0465 45.0868 175.3685 7 Q 5.2200 8.8092 123.0857 54.0760 31.7338 175.0592 8 S 4.8903 9.3631 122.6966 58.2004 64.0876 175.6399 9 S 4.4304 9.5211 116.0180 60.1446 62.6461 174.6207 10 D 4.6717 8.0264 120.2704 53.9604 39.9495 175.9616 11 G 4.3420 8.5557 113.1200 47.1342 0.0000 175.2826 12 E 3.9322 7.8735 120.5701 56.4944 30.8104 176.1621 13 I 5.5550 7.8296 122.5680 58.8157 39.9414 174.7340 14 F 4.8549 9.0867 125.6175 55.6866 41.9726 174.5925 15 E 5.0256 8.9728 122.8546 55.4056 30.2326 175.7282 16 V 4.5391 8.3955 118.2858 59.0348 35.2312 175.4259 17 D 4.8582 8.4900 121.8554 54.0890 42.1437 177.4398 18 V 3.6250 8.3960 119.8012 64.9036 31.3370 178.7050 19 E 3.9751 8.8809 118.1087 59.2062 29.7812 178.6098 20 I 3.9228 7.5908 119.3492 64.0907 37.3656 177.9840 21 A 4.0953 8.2946 121.7283 54.6525 17.9970 179.3903 22 K 4.0482 8.0054 117.2107 59.0276 32.3158 178.5541 23 Q 4.3292 7.6981 116.9352 56.9417 28.8421 175.8969 24 S 4.5817 7.6243 115.7844 56.3699 62.8527 174.2870 25 V 3.6323 8.2159 128.5379 66.6288 30.8013 177.8626 26 T 3.7425 7.6470 114.6479 66.8557 68.2784 176.7809 27 I 3.7199 7.5769 120.8259 63.6603 36.7966 178.6765 28 K 3.8637 8.1316 120.7181 59.7942 32.4323 178.2008 29 T 3.9555 8.0428 113.5298 65.5305 67.2057 175.8340 30 M 4.0458 7.8009 120.4521 58.3829 31.9397 178.4558 31 L 4.2261 7.5045 115.8227 57.0982 41.9239 176.6819 32 E 4.5098 8.0436 116.2080 57.8710 32.6496 177.1426 33 D 4.7932 8.7836 117.3591 55.5658 40.8327 177.0717 34 L 4.5272 8.3293 117.9898 53.9695 48.1752 176.1921 35 G 3.9994 7.9731 105.8499 46.8035 0.0000 172.0456 36 M 4.4690 7.2487 117.4142 53.8434 34.4149 176.0961 *43 D 5.1397 7.6413 118.2515 54.4751 43.4050 175.4132 44 P 4.7603 0.0000 0.0000 61.7258 29.5872 173.8376 45 V 3.5590 8.4939 121.2460 62.7373 32.9425 173.1819 46 P 4.6457 0.0000 0.0000 62.7633 31.3562 176.8211 47 L 4.9255 8.5277 126.3692 52.3432 41.0822 175.8481 48 P 4.3343 0.0000 0.0000 64.4912 31.9617 177.1326 49 N 4.5302 7.9163 113.8682 52.5502 38.8156 174.6269 50 V 4.3386 7.5725 118.9233 60.9046 34.2784 175.1565 51 N 4.9708 8.8785 123.8098 51.0662 38.5714 175.6420 52 A 4.3324 9.0412 119.5588 55.1870 18.0022 179.8091 53 A 4.0424 8.0627 118.9542 55.5054 18.7210 179.6861 54 I 3.6679 7.9699 117.9764 64.4788 37.1430 178.5012 55 L 3.9664 7.9127 121.1496 57.9968 41.7044 178.9632 56 K 3.5648 7.5707 119.2877 58.9793 32.0502 179.1331 57 K 4.2333 7.7369 119.0956 59.4082 32.0629 179.2521 58 V 3.7861 8.3424 118.8932 66.4243 31.4179 178.1728 59 I 3.7598 8.1207 119.6678 64.2271 36.7993 178.1661 60 Q 4.0186 7.9998 120.4129 58.9726 29.0434 177.7892 61 W 3.9986 8.7792 129.6808 60.9907 30.4974 177.8324 62 C 4.3902 8.4803 114.8290 62.5831 27.7594 176.1690 63 T 3.9245 7.7928 117.8420 66.7778 67.9345 175.9263 64 H 3.4681 7.7061 119.0288 59.0113 30.0425 176.5526 65 H 5.3097 7.4920 118.3971 54.4219 29.7413 177.4632 66 K 3.9487 7.6268 122.8957 59.5197 32.5390 177.4212 67 D 4.5878 7.6449 117.3604 55.3188 42.3320 177.5635 68 D 4.4621 7.2655 119.6639 53.6562 41.6228 174.4900 *85 I 4.3018 8.1040 121.1982 61.3210 38.3833 174.4180 86 P 4.4991 0.0000 0.0000 62.5384 33.1913 177.6454 87 V 3.6393 8.4291 119.9386 65.9129 31.5427 178.2574 88 W 4.0386 8.3108 127.5935 60.7341 30.6006 177.4984 89 D 4.7191 8.5803 118.3318 57.4948 40.1133 178.6807 90 Q 4.0560 8.2534 118.2565 59.0283 29.1581 178.3959 91 E 4.0312 8.8545 119.0341 59.1843 29.2804 178.8646 92 F 3.8390 8.0938 121.1706 60.7091 39.4092 176.2360 93 L 4.2769 7.8974 116.2497 54.0089 43.1527 178.0362 94 K 4.2196 7.3163 121.8104 55.3737 30.4712 174.9545 95 V 4.5007 6.9062 113.6673 58.3386 36.2212 176.0231 96 D 4.5707 8.2230 120.2423 53.3345 41.0259 176.9117 97 Q 4.1894 8.8851 120.1642 59.4840 28.5696 179.9818 98 G 3.6942 8.0771 105.8391 48.3069 0.0000 175.5518 99 T 3.8768 8.7520 119.3719 66.0164 68.4233 176.4670 100 L 3.9451 7.9904 122.1757 58.1146 41.9900 178.8201 101 F 3.9579 8.6239 120.9157 61.2493 39.2868 177.0213 102 E 4.1327 8.6673 118.6274 59.3326 29.1688 179.3256 103 L 3.9374 8.3691 119.4206 57.9732 41.7537 179.5484 104 I 3.2873 7.7985 119.7452 64.2279 36.5843 178.6161 105 L 3.8221 7.5449 119.6137 57.6303 41.4832 178.9315 106 A 4.1633 8.5385 120.7655 55.4720 18.2655 179.3122 107 A 3.8021 8.7591 120.0791 55.4037 18.3560 179.4653 108 N 4.1638 8.1106 115.2433 56.9102 38.8790 176.4317 109 Y 4.2032 8.8180 120.4202 60.7706 39.4142 177.5478 110 L 3.8304 8.6077 119.4168 53.1327 43.3213 175.5331 111 D 4.3463 7.4931 116.7531 55.2245 39.7540 172.2774 112 I 4.3846 7.8613 122.3439 57.7819 37.7686 176.2459 113 K 3.9658 8.3412 125.2817 59.4345 31.7892 177.4372 114 G 3.7565 8.0799 105.1953 48.0452 0.0000 175.3565 115 L 2.5754 7.2048 122.7394 56.4246 42.0686 178.4237 116 L 3.9719 7.7292 121.8709 56.9373 41.9179 178.3840 117 D 4.2312 7.7886 118.2910 57.5283 41.3097 178.6502 118 V 3.7379 7.4254 112.3107 64.5372 31.0837 178.7816 119 T 3.8975 7.6878 109.2571 64.9868 68.6017 176.6116 120 C 4.1202 7.9233 119.1350 62.4452 28.0769 176.1950 121 K 4.0686 8.1791 120.0359 59.3886 31.3552 179.6631 122 T 3.9323 7.9639 116.5166 66.5921 68.4679 176.9591 123 V 3.7618 7.8304 119.5908 65.7217 31.6364 178.0065 124 A 4.0651 8.1453 120.8822 55.2056 18.0380 179.2752 125 N 4.4772 8.3455 113.9529 56.0644 38.6380 177.1482 126 M 4.2725 7.5553 119.7914 58.0502 32.0799 178.3626 127 I 3.9638 7.8486 119.6661 63.1901 37.4400 176.8930 128 K 3.9311 7.2851 118.0875 58.2963 32.5452 175.8053 129 G 4.3719 9.0267 117.3246 45.7051 0.0000 174.2929 130 K 4.0573 7.0814 118.0089 55.9609 32.7592 177.7677 131 T 4.3783 8.3103 113.0279 60.1667 71.5463 174.0868 132 P 4.2815 0.0000 0.0000 65.8066 31.1451 178.6070 133 E 3.8808 8.0703 117.3828 59.5150 29.9248 178.5700 134 E 3.9649 7.8549 117.9812 59.3890 29.4315 179.5578 135 I 3.8517 7.6987 121.3700 63.5888 37.2336 178.5390 136 R 4.0418 7.9622 119.0222 59.6315 29.8741 178.4316 137 K 3.8878 8.3372 118.4076 60.0634 31.6276 178.7772 138 T 3.5862 8.1462 107.6310 66.5030 68.2668 174.9957 139 F 5.0762 7.7625 121.7156 55.1721 40.1829 175.2308 140 N 4.1702 7.6845 114.1364 54.0894 36.8312 171.7922 141 I 4.5974 8.2412 120.9074 58.3242 40.4568 175.7568 142 K 3.9725 8.5564 126.2944 56.2071 32.6215 176.1792 143 N 4.6403 8.5308 124.8540 52.8567 37.8294 174.2894 144 D 4.4069 8.2975 125.6379 55.8516 41.3674 177.1160 145 F 4.8791 7.6979 118.1541 57.3819 39.9697 174.3015 146 T 4.7394 8.7703 117.8932 61.7427 70.6304 175.9654 147 E 3.9368 8.8639 124.5838 59.5224 29.2571 179.1901 148 E 4.1205 8.1168 118.5348 58.4971 29.8546 178.2029 149 E 3.9944 8.4320 119.3641 59.3231 29.7651 178.9207 150 E 3.7597 8.0087 117.4121 58.5526 29.5181 179.0841 151 A 3.9669 7.3437 120.8274 54.8687 18.3796 179.4819 152 Q 3.8206 7.7248 117.8961 59.2692 29.0175 178.0302 153 V 3.7458 7.7033 119.7094 65.4624 31.5641 177.6371 154 R 3.9571 7.7219 117.5717 59.2256 30.0304 178.4404 155 K 4.0822 7.8866 119.3265 59.5174 31.7815 178.3470 156 E 4.4131 9.1455 118.2407 57.9238 29.0581 177.6813 157 N 5.0613 7.4037 114.9764 52.9449 39.9179 175.5737 158 Q 4.0423 8.3810 120.0882 58.7987 28.8482 178.6508 159 W 4.4196 8.4003 113.2907 59.4246 28.0275 175.3235 160 C 3.4621 6.2890 122.8843 59.0659 30.7114 172.7359 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 4.51 0.00 1.78 2.13 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 3 S 8.06 5.12 0.00 3.92 3.73 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 4 I 9.30 4.72 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 1.24 0.98 0.94 0.00 0.00 5 K 8.74 5.15 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.47 7.81 6 L 9.34 5.04 0.00 1.70 1.65 0.94 0.75 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 7 Q 8.81 5.22 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 8 S 9.36 4.89 0.00 4.16 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 0.00 9 S 9.52 4.43 0.00 4.04 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 0.00 10 D 8.03 4.67 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 4.34 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 0.00 12 E 7.87 3.93 0.00 1.97 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 2.20 2.31 0.00 13 I 7.83 5.55 1.80 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 1.37 1.14 0.98 0.00 0.00 14 F 9.09 4.85 0.00 2.99 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 15 E 8.97 5.03 0.00 1.89 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 2.27 2.35 0.00 16 V 8.40 4.54 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 0.73 0.00 0.00 1.01 0.00 0.00 17 D 8.49 4.86 0.00 2.68 2.53 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 0.00 18 V 8.40 3.62 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 0.93 0.00 0.00 19 E 8.88 3.98 0.00 1.92 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 2.30 2.38 0.00 20 I 7.59 3.92 2.01 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 1.54 0.75 0.92 0.00 0.00 21 A 8.29 4.10 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 22 K 8.01 4.05 0.00 1.91 2.09 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 Q 7.70 4.33 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 24 S 7.62 4.58 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.22 3.63 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 1.02 0.00 0.00 0.99 0.00 0.00 26 T 7.65 3.74 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 0.82 0.00 0.00 27 I 7.58 3.72 1.99 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 1.37 1.26 0.91 0.00 0.00 28 K 8.13 3.86 0.00 1.93 1.94 0.00 1.96 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.43 7.81 29 T 8.04 3.96 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 1.29 0.00 0.00 30 M 7.80 4.05 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 31 L 7.50 4.23 0.00 1.73 1.73 0.93 1.36 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 32 E 8.04 4.51 0.00 2.19 1.81 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 2.21 2.39 0.00 33 D 8.78 4.79 0.00 2.70 2.70 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 34 L 8.33 4.53 0.00 1.80 1.65 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.25 4.47 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 *43 D 7.64 5.14 0.00 2.69 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 44 P 0.00 4.76 0.00 1.96 2.04 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 V 8.49 3.56 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 0.96 0.00 0.00 1.02 0.00 0.00 46 P 0.00 4.65 0.00 2.02 2.04 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 47 L 8.53 4.93 0.00 1.87 1.73 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.33 0.00 2.01 2.11 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 49 N 7.92 4.53 0.00 1.44 1.98 0.00 0.00 6.61 7.68 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 50 V 7.57 4.34 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 1.08 0.00 0.00 1.20 0.00 0.00 51 N 8.88 4.97 0.00 3.14 2.99 0.00 0.00 6.62 7.58 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 52 A 9.04 4.33 1.64 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 53 A 8.06 4.04 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 54 I 7.97 3.67 1.90 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 1.66 0.80 0.93 0.00 0.00 55 L 7.91 3.97 0.00 1.87 1.22 0.90 0.46 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 56 K 7.57 3.56 0.00 2.06 2.02 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.69 7.81 57 K 7.74 4.23 0.00 2.10 2.01 0.00 1.84 0.00 0.00 1.52 0.00 0.00 2.47 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.68 1.53 7.81 58 V 8.34 3.79 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 1.15 0.00 0.00 1.02 0.00 0.00 59 I 8.12 3.76 1.83 0.00 0.00 0.59 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 0.75 0.95 0.00 0.00 60 Q 8.00 4.02 0.00 2.45 2.65 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 2.80 2.63 0.00 61 W 8.78 4.00 0.00 3.00 3.39 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 0.00 62 C 8.48 4.39 0.00 3.12 3.13 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 0.00 63 T 7.79 3.92 4.36 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 1.14 0.00 0.00 64 H 7.71 3.47 0.00 1.84 2.38 0.00 5.93 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 65 H 7.49 5.31 0.00 2.43 2.82 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.63 3.95 0.00 1.78 1.91 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.30 7.81 67 D 7.64 4.59 0.00 2.55 2.67 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 68 D 7.27 4.46 0.00 2.82 2.53 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 0.00 *85 I 8.10 4.30 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 1.04 0.00 0.00 86 P 0.00 4.50 0.00 2.37 2.10 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 87 V 8.43 3.64 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 1.09 0.00 0.00 0.99 0.00 0.00 88 W 8.31 4.04 0.00 3.46 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 89 D 8.58 4.72 0.00 3.18 3.07 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 90 Q 8.25 4.06 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 91 E 8.85 4.03 0.00 2.09 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 2.14 2.34 0.00 92 F 8.09 3.84 0.00 1.87 3.09 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 93 L 7.90 4.28 0.00 1.64 1.62 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.32 4.22 0.00 1.87 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.51 7.81 95 V 6.91 4.50 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 0.67 0.00 0.00 0.88 0.00 0.00 96 D 8.22 4.57 0.00 2.89 2.77 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 97 Q 8.89 4.19 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 98 G 8.08 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 99 T 8.75 3.88 4.34 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 1.13 0.00 0.00 100 L 7.99 3.95 0.00 1.79 1.90 0.90 1.03 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 0.00 101 F 8.62 3.96 0.00 3.23 3.21 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 0.00 102 E 8.67 4.13 0.00 2.23 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 2.65 2.54 0.00 103 L 8.37 3.94 0.00 1.76 1.65 0.75 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.80 3.29 1.60 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 1.40 0.98 0.73 0.00 0.00 105 L 7.54 3.82 0.00 1.82 1.67 1.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.54 4.16 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 0.00 107 A 8.76 3.80 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 0.00 108 N 8.11 4.16 0.00 2.93 2.96 0.00 0.00 6.87 6.96 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 0.00 109 Y 8.82 4.20 0.00 2.73 3.24 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 0.00 110 L 8.61 3.83 0.00 1.64 1.54 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.49 4.35 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.86 4.38 1.77 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 0.76 0.91 0.00 0.00 113 K 8.34 3.97 0.00 1.85 1.85 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.63 7.81 114 G 8.08 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 0.00 115 L 7.20 2.58 0.00 0.27 1.05 0.67 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.73 3.97 0.00 1.83 1.55 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.79 4.23 0.00 2.95 2.86 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 0.00 118 V 7.43 3.74 2.21 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 1.05 0.00 0.00 0.97 0.00 0.00 119 T 7.69 3.90 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 1.14 0.00 0.00 120 C 7.92 4.12 0.00 3.12 2.97 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 0.00 121 K 8.18 4.07 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.47 1.67 7.81 122 T 7.96 3.93 4.45 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 1.25 0.00 0.00 123 V 7.83 3.76 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 0.81 0.00 0.00 0.93 0.00 0.00 124 A 8.15 4.07 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 0.00 125 N 8.35 4.48 0.00 2.93 2.93 0.00 0.00 7.11 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 0.00 126 M 7.56 4.27 0.00 1.99 2.56 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.61 0.00 127 I 7.85 3.96 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.98 0.00 0.00 128 K 7.29 3.93 0.00 1.80 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.72 7.81 129 G 9.03 4.37 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 0.00 130 K 7.08 4.06 0.00 1.92 1.73 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.43 7.81 131 T 8.31 4.38 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 1.23 0.00 0.00 132 P 0.00 4.28 0.00 2.19 2.20 0.00 3.59 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 2.11 2.17 0.00 133 E 8.07 3.88 0.00 2.08 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 2.37 2.45 0.00 134 E 7.85 3.96 0.00 2.21 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 2.34 0.00 135 I 7.70 3.85 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 1.16 0.00 0.00 136 R 7.96 4.04 0.00 2.02 2.18 0.00 3.18 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 137 K 8.34 3.89 0.00 1.89 1.74 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 138 T 8.15 3.59 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 1.02 0.00 0.00 139 F 7.76 5.08 0.00 3.22 3.07 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 0.00 140 N 7.68 4.17 0.00 2.80 2.80 0.00 0.00 6.89 7.97 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 0.00 141 I 8.24 4.60 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.94 0.00 0.00 142 K 8.56 3.97 0.00 1.71 1.70 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 143 N 8.53 4.64 0.00 2.77 2.79 0.00 0.00 7.14 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.30 4.41 0.00 2.35 2.52 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 0.00 145 F 7.70 4.88 0.00 3.14 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 0.00 146 T 8.77 4.74 4.36 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 1.26 0.00 0.00 147 E 8.86 3.94 0.00 2.02 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 2.42 2.41 0.00 148 E 8.12 4.12 0.00 2.04 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 2.36 2.39 0.00 149 E 8.43 3.99 0.00 2.30 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 2.41 2.42 0.00 150 E 8.01 3.76 0.00 1.90 1.83 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 1.92 2.43 0.00 151 A 7.34 3.97 1.38 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 0.00 152 Q 7.72 3.82 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 153 V 7.70 3.75 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 0.94 0.00 0.00 0.67 0.00 0.00 154 R 7.72 3.96 0.00 1.95 2.08 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 155 K 7.89 4.08 0.00 2.03 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.59 7.81 156 E 9.15 4.41 0.00 2.21 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 2.37 2.56 0.00 157 N 7.40 5.06 0.00 2.55 2.61 0.00 0.00 6.98 8.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 8.38 4.04 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 159 W 8.40 4.42 0.00 3.59 3.30 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 0.00 160 C 6.29 3.46 0.00 1.23 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 * Residues marked with a * may have inaccurate shift predictions.