NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6004 8.5245 117.7924 49.3581 39.1158 174.9615 3 L 3.6605 8.4991 120.5640 51.8892 40.3796 174.6383 4 P 5.0498 0.0000 0.0000 63.0583 33.0508 177.3152 5 T 4.2060 8.5269 112.0369 60.8514 71.2913 175.3065 6 A 4.0126 8.5724 123.4747 55.8954 17.8604 180.1839 7 Q 3.9834 8.0005 115.5428 58.7109 28.7295 178.7837 8 E 3.8774 7.7497 120.0843 59.1794 29.6398 178.8543 9 V 2.9350 7.7294 118.6971 66.3423 31.4359 177.8708 10 Q 4.1438 7.9231 117.1609 59.0083 28.4949 179.4851 11 G 3.4901 7.5946 105.8827 47.7954 0.0000 175.3970 12 L 3.9756 8.1527 122.6178 57.8321 41.6073 179.6230 13 M 4.1184 8.6011 118.3116 58.4021 31.6780 178.7786 14 A 4.0366 7.7680 119.9181 55.1840 18.9201 179.2531 15 R 3.9716 7.9630 117.1830 59.8671 30.0371 177.7503 16 Y 4.0438 8.2549 119.3275 61.0957 38.5790 178.1917 17 I 3.8874 7.7781 119.7102 63.2565 36.8091 177.8306 18 E 4.0497 8.6053 121.2897 58.9463 29.4392 178.5691 19 L 4.0273 7.6866 118.6626 57.5160 41.5958 179.3064 20 V 3.4125 7.1430 117.4632 65.6945 31.4813 177.4767 21 D 4.4009 7.6344 116.5209 57.3767 41.0634 178.2414 22 V 3.9137 7.2433 108.5809 61.2911 31.6780 176.1671 23 G 3.8051 7.4902 106.7915 47.0541 0.0000 175.5244 24 D 4.5694 7.8716 119.1826 52.0801 37.8447 174.8803 25 I 3.6353 7.6947 124.5841 64.2596 37.3194 177.3858 26 E 3.9482 8.0921 117.5927 59.4050 29.7350 178.7846 27 A 4.1324 9.0383 121.0824 55.1452 18.3762 179.3707 28 I 3.5621 7.4234 118.1920 64.8545 36.9372 178.7161 29 V 3.7450 7.5897 117.4860 65.6255 31.0560 176.9713 30 Q 4.0654 7.9610 117.1745 57.8202 29.3104 176.5354 31 M 4.3128 8.7380 119.6622 56.9960 32.1971 176.0702 32 Y 4.5494 6.9298 115.5377 57.5611 38.8359 174.7579 33 A 4.6803 8.0404 123.4573 50.9032 19.9668 177.5057 34 D 4.5524 8.9080 119.2686 55.0544 40.6770 176.8887 35 D 5.0938 7.7957 118.0321 52.5430 39.3964 176.6112 36 A 4.7210 7.9789 120.1291 53.0214 20.6599 177.3510 37 T 4.9408 8.2967 108.8821 60.1128 72.9067 173.5366 38 V 4.7116 8.1326 121.3772 61.9958 35.3316 172.9576 39 E 4.6070 8.7576 128.1233 54.9281 31.5615 175.3174 40 D 4.8377 8.1973 125.1503 52.4299 43.5859 173.0607 41 P 3.8588 0.0000 0.0000 62.1518 32.2068 175.6766 42 F 3.7911 8.6385 125.8216 60.0625 39.4817 174.3076 43 G 3.5953 7.3668 122.0146 45.2453 0.0000 173.6156 44 Q 3.8192 7.0268 121.6998 54.0356 29.8356 175.4709 45 P 4.2353 0.0000 0.0000 62.3684 31.7330 174.2027 46 P 4.7678 0.0000 0.0000 62.4581 32.3837 175.2879 47 I 4.3085 8.2293 116.0257 59.8288 39.1486 174.3500 48 H 4.7580 8.9941 126.9961 55.3156 32.0124 172.0247 49 G 4.5420 8.3691 115.3085 45.4544 0.0000 175.0365 50 R 3.8113 8.5915 121.2143 59.2802 29.9734 179.0687 51 E 3.8549 8.0472 118.2054 59.4897 29.8657 178.6434 52 Q 4.0223 8.0146 117.5731 59.1623 28.3357 178.8660 53 I 3.7714 8.1809 120.5548 63.5839 37.1144 177.6714 54 A 4.2736 7.8613 120.7355 53.2478 18.7991 179.3774 55 A 3.8746 7.9163 119.9877 55.1676 18.6704 179.4560 56 F 4.0909 8.1368 119.0622 61.7413 39.2932 177.4508 57 S 3.4031 7.4005 112.4522 61.3141 62.6116 176.4299 58 R 3.9521 7.4542 120.4025 59.1390 29.9175 177.9730 59 Q 4.3556 8.4193 119.2729 57.1782 29.1470 176.1321 60 G 3.7554 7.7562 108.8876 43.6300 0.0000 172.9489 *65 K 4.0488 8.3823 127.6713 55.8651 33.4932 176.2491 66 V 4.5153 7.9429 120.9292 62.2112 32.9731 175.6731 67 R 4.9431 8.9173 128.0170 54.9852 32.5847 171.2005 68 A 5.3441 9.5095 127.1595 50.6028 21.7297 176.4782 69 C 4.8254 8.7791 118.0181 56.7779 32.8723 173.1239 70 L 5.0488 8.6611 123.7121 53.6273 41.1048 176.9005 71 T 4.2382 8.8944 115.5508 63.2440 69.5219 174.7695 72 G 4.1961 7.8507 109.5124 43.3021 0.0000 170.6784 73 P 4.3536 0.0000 0.0000 62.8364 31.6227 175.7624 74 V 3.9928 8.0830 119.5443 62.4290 32.7076 175.8735 75 R 4.4011 9.3340 127.8252 55.2844 30.4183 174.8244 76 A 5.0878 8.3855 126.0064 50.4676 20.8795 176.5336 77 S 4.6112 8.5098 117.0299 57.4419 65.4790 173.6557 78 H 4.8006 8.8042 115.1032 56.2957 28.8985 175.5868 79 N 4.8677 8.2264 117.1854 52.5170 37.4791 175.6543 80 G 3.9172 8.5591 105.5469 46.3976 0.0000 173.1616 81 C 5.3403 7.5758 116.8960 58.4281 31.6367 172.4919 82 G 4.5400 8.8374 105.4899 46.0770 0.0000 172.3358 83 A 5.9400 8.8632 121.3929 51.2211 23.1641 175.4415 84 M 5.1986 8.8035 119.0813 52.8381 35.5175 172.1859 85 P 5.3864 0.0000 0.0000 61.5594 33.7458 174.2952 86 F 5.4294 9.0097 118.3683 55.9565 42.5573 172.9597 87 R 4.8924 9.5494 118.9544 54.8498 33.7171 173.5070 88 V 4.7937 8.7145 126.6799 61.6514 33.3898 174.1275 89 E 5.0180 9.3519 128.9651 55.0430 30.9326 173.9456 90 M 4.8219 9.1025 124.3729 54.6152 35.0789 177.4056 91 V 4.2534 8.1631 117.3539 62.0364 33.2250 173.5472 92 W 4.3991 9.0296 135.0000 58.3278 28.3320 174.0477 93 N 4.2369 9.1676 119.6126 54.3067 36.4486 173.6896 94 G 4.0094 8.3435 103.1421 45.8597 0.0000 172.2543 95 Q 4.3991 7.4107 117.5943 52.3307 28.8871 170.3752 96 P 4.9893 0.0000 0.0000 61.6377 31.3095 175.1211 97 C 5.1131 8.6240 117.7220 56.2094 33.1565 172.9650 98 A 5.2111 8.0800 120.5602 50.4402 22.0711 175.4181 99 L 5.0187 8.4694 120.5165 53.4876 45.5616 174.8605 100 D 5.0109 8.7953 126.5104 53.1637 42.1014 176.0923 101 V 4.6979 8.3708 122.4720 61.2334 36.0957 174.0853 102 I 5.0800 8.1607 122.7313 59.9083 40.9379 173.8510 103 D 5.4672 9.1529 127.0407 52.7750 43.2784 175.7653 104 V 4.5174 8.7715 124.1118 61.7289 32.6780 173.7581 105 M 4.8368 8.6152 126.8415 53.3778 34.8577 175.1176 106 R 5.0350 8.4327 122.2409 54.7724 32.6879 174.8128 107 F 5.0850 9.4441 125.8973 56.7017 40.8967 175.2015 108 D 4.9731 8.9016 121.8951 51.6235 41.9361 176.9339 109 E 4.1306 8.8336 114.8545 58.2521 29.3616 176.9139 110 H 4.8408 8.2193 115.4613 55.4238 29.4684 173.8795 111 G 4.0207 8.4551 107.1482 46.7547 0.0000 174.0754 112 R 4.7502 9.0897 118.7935 53.6505 32.4727 175.7828 113 I 3.5425 8.1212 122.7688 61.5871 37.1515 176.4417 114 Q 4.2425 8.9759 129.8849 57.8005 30.3625 175.1585 115 T 4.6321 7.1948 110.2241 61.7888 70.9583 171.4212 116 M 5.3225 8.7609 126.9641 54.0497 36.5379 173.7663 117 Q 5.0486 8.7598 122.9324 54.2696 33.1201 173.7484 118 A 5.3985 8.8380 126.1753 50.1026 21.6522 175.1394 119 Y 4.8766 8.6180 120.4386 56.1496 40.0228 175.2146 120 W 4.7163 8.4978 120.7542 57.3504 30.1923 174.1998 121 S 4.3897 7.9126 112.7008 58.4278 64.6648 175.0625 122 E 4.1850 8.8474 117.5710 59.7731 29.5352 179.1166 123 V 3.8498 7.5265 110.8606 63.3388 31.6974 176.4482 124 N 4.7298 8.0579 116.4743 52.8484 39.1831 173.9789 125 L 4.6217 7.7868 121.7115 53.9899 41.4846 176.4559 126 S 4.4460 8.5994 121.0710 58.7893 62.9142 174.0100 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 N 8.52 4.60 0.00 2.76 2.55 0.00 0.00 6.70 6.90 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 3 L 8.50 3.66 0.00 1.92 1.61 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 5.05 0.00 1.94 1.97 0.00 3.76 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 5 T 8.53 4.21 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 6 A 8.57 4.01 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 7 Q 8.00 3.98 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.75 3.88 0.00 2.16 1.84 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 2.27 2.26 0.00 9 V 7.73 2.93 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 0.89 0.00 0.00 0.70 0.00 0.00 10 Q 7.92 4.14 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 11 G 7.59 3.49 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 0.00 12 L 8.15 3.98 0.00 1.47 1.88 0.06 0.94 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 13 M 8.60 4.12 0.00 2.06 2.16 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 2.77 2.85 0.00 14 A 7.77 4.04 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 15 R 7.96 3.97 0.00 2.15 1.99 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 Y 8.25 4.04 0.00 3.14 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 17 I 7.78 3.89 1.99 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.82 0.00 0.00 18 E 8.61 4.05 0.00 2.14 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 2.29 2.33 0.00 19 L 7.69 4.03 0.00 1.53 1.59 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.14 3.41 1.91 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 0.70 0.00 0.00 0.60 0.00 0.00 21 D 7.63 4.40 0.00 2.99 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 22 V 7.24 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 23 G 7.49 3.81 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 0.00 0.00 0.00 24 D 7.87 4.57 0.00 2.67 2.51 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 0.00 25 I 7.69 3.64 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 0.87 0.00 0.00 26 E 8.09 3.95 0.00 2.03 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 2.30 2.36 0.00 27 A 9.04 4.13 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 28 I 7.42 3.56 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.54 1.10 0.00 0.00 29 V 7.59 3.75 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 1.02 0.00 0.00 0.98 0.00 0.00 30 Q 7.96 4.07 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 31 M 8.74 4.31 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 32 Y 6.93 4.55 0.00 3.01 2.89 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 33 A 8.04 4.68 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 34 D 8.91 4.55 0.00 2.74 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 35 D 7.80 5.09 0.00 2.70 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 36 A 7.98 4.72 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.30 4.94 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 1.28 0.00 0.00 38 V 8.13 4.71 1.94 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 0.67 0.00 0.00 1.01 0.00 0.00 39 E 8.76 4.61 0.00 1.92 1.61 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 2.11 2.16 0.00 40 D 8.20 4.84 0.00 2.69 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 0.00 0.00 0.00 0.00 41 P 0.00 3.86 0.00 1.35 0.49 0.00 3.73 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 1.72 1.43 0.00 42 F 8.64 3.79 0.00 2.38 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 43 G 7.37 3.60 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 0.00 44 Q 7.03 3.82 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 45 P 0.00 4.24 0.00 2.14 1.97 0.00 3.70 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 1.91 1.89 0.00 46 P 0.00 4.77 0.00 2.05 2.00 0.00 3.66 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 1.92 1.89 0.00 47 I 8.23 4.31 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.73 0.86 0.00 0.00 48 H 8.99 4.76 0.00 3.12 3.18 0.00 6.01 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 49 G 8.37 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.59 3.81 0.00 1.86 2.02 0.00 3.16 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 51 E 8.05 3.85 0.00 2.03 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 2.39 0.00 52 Q 8.01 4.02 0.00 2.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 53 I 8.18 3.77 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.95 0.19 0.00 0.00 54 A 7.86 4.27 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 55 A 7.92 3.87 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 56 F 8.14 4.09 0.00 3.19 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 57 S 7.40 3.40 0.00 3.86 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 58 R 7.45 3.95 0.00 2.10 1.96 0.00 3.23 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 59 Q 8.42 4.36 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 60 G 7.76 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 *65 K 8.38 4.05 0.00 1.78 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 66 V 7.94 4.52 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 0.73 0.00 0.00 0.89 0.00 0.00 67 R 8.92 4.94 0.00 1.51 1.74 0.00 3.27 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 68 A 9.51 5.34 1.14 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 69 C 8.78 4.83 0.00 2.50 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 70 L 8.66 5.05 0.00 1.57 1.72 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.89 4.24 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 1.25 0.00 0.00 72 G 7.85 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 0.00 0.00 0.00 0.00 73 P 0.00 4.35 0.00 2.19 2.09 0.00 3.77 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 1.97 0.00 74 V 8.08 3.99 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 0.81 0.00 0.00 0.97 0.00 0.00 75 R 9.33 4.40 0.00 1.97 1.87 0.00 3.26 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 76 A 8.39 5.09 1.14 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 77 S 8.51 4.61 0.00 3.86 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 78 H 8.80 4.80 0.00 3.16 3.34 0.00 5.66 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 79 N 8.23 4.87 0.00 2.84 2.88 0.00 0.00 7.07 7.03 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 80 G 8.56 3.92 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 0.00 0.00 0.00 81 C 7.58 5.34 0.00 2.91 2.89 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 82 G 8.84 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.86 5.94 1.23 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 0.00 0.00 84 M 8.80 5.20 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 85 P 0.00 5.39 0.00 2.16 2.23 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 86 F 9.01 5.43 0.00 3.27 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 87 R 9.55 4.89 0.00 1.86 1.78 0.00 3.10 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 88 V 8.71 4.79 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 0.96 0.00 0.00 1.23 0.00 0.00 89 E 9.35 5.02 0.00 1.93 1.87 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 2.29 2.27 0.00 90 M 9.10 4.82 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 91 V 8.16 4.25 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 0.79 0.00 0.00 0.96 0.00 0.00 92 W 9.03 4.40 0.00 3.46 3.01 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 93 N 9.17 4.24 0.00 3.13 2.91 0.00 0.00 7.33 7.98 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 94 G 8.34 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 0.00 0.00 0.00 95 Q 7.41 4.40 0.00 2.35 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 96 P 0.00 4.99 0.00 2.08 2.09 0.00 4.03 0.00 0.00 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 97 C 8.62 5.11 0.00 3.07 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 98 A 8.08 5.21 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 99 L 8.47 5.02 0.00 1.69 1.25 0.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.80 5.01 0.00 2.60 2.54 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 0.00 0.00 0.00 0.00 101 V 8.37 4.70 0.67 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 1.16 0.00 0.00 0.52 0.00 0.00 102 I 8.16 5.08 1.93 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 1.38 0.74 0.96 0.00 0.00 103 D 9.15 5.47 0.00 2.84 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 0.00 104 V 8.77 4.52 2.26 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 1.03 0.00 0.00 1.09 0.00 0.00 105 M 8.62 4.84 0.00 1.57 1.94 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.10 0.00 106 R 8.43 5.04 0.00 1.89 1.74 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 107 F 9.44 5.08 0.00 2.97 2.99 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 0.00 108 D 8.90 4.97 0.00 2.71 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 0.00 109 E 8.83 4.13 0.00 2.04 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 0.00 1.86 2.15 0.00 110 H 8.22 4.84 0.00 3.29 3.33 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.46 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 0.00 112 R 9.09 4.75 0.00 2.27 1.92 0.00 3.34 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 113 I 8.12 3.54 1.22 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.94 0.51 0.00 0.00 114 Q 8.98 4.24 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 115 T 7.19 4.63 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 M 8.76 5.32 0.00 2.20 1.77 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 117 Q 8.76 5.05 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.67 2.35 0.00 118 A 8.84 5.40 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 0.00 0.00 119 Y 8.62 4.88 0.00 3.01 2.87 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 0.00 120 W 8.50 4.72 0.00 3.42 3.05 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 0.00 121 S 7.91 4.39 0.00 3.94 3.92 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 0.00 122 E 8.85 4.19 0.00 2.18 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 2.47 2.49 0.00 123 V 7.53 3.85 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 0.71 0.00 0.00 0.99 0.00 0.00 124 N 8.06 4.73 0.00 3.13 3.07 0.00 0.00 6.43 6.56 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 0.00 125 L 7.79 4.62 0.00 1.69 1.88 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.60 4.45 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.