NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 Q 4.3230 8.3293 119.1055 54.9496 30.6174 175.9953 2 I 3.8828 7.7443 111.3460 59.9207 39.5305 170.2943 3 V 4.4315 8.8270 121.3731 61.0982 34.6205 175.4211 4 V 4.9600 8.3753 126.8562 61.5331 33.9559 174.1868 5 T 4.8578 8.8653 123.7626 61.9750 71.8445 173.0609 6 Q 5.2751 8.4497 122.4267 52.5376 33.1993 174.9385 7 E 4.1262 8.7876 120.2397 56.8282 30.3593 178.5502 8 S 4.3180 8.8352 118.9863 61.5620 64.0407 174.1227 9 A 5.1208 7.6466 118.0402 50.8748 21.9656 175.8193 10 L 4.8138 8.8106 120.0374 53.4072 46.6448 175.3847 11 T 5.0591 8.5527 118.5071 62.1363 71.0668 173.1997 12 T 4.7173 8.9873 119.9056 60.5073 71.7379 172.4295 13 S 5.0245 8.2888 119.1318 55.8929 65.5964 172.4089 14 P 4.4403 0.0000 0.0000 64.6116 31.7845 177.2595 15 G 3.9424 9.3307 111.2171 45.2774 0.0000 173.2262 16 E 4.4896 7.6066 119.0428 56.0505 31.6988 175.6208 17 T 4.9131 8.2369 118.2104 62.6246 70.4894 174.3300 18 V 4.5959 8.6149 124.8890 60.1179 34.9157 174.5011 19 T 4.9659 8.4386 118.7598 61.7624 71.5123 173.1231 20 L 4.9220 8.7579 125.9507 53.1193 44.4789 175.6558 21 T 5.4247 9.3583 112.2523 60.2094 72.8891 172.1019 22 C 5.2716 9.4947 124.2409 55.9323 48.0355 173.4390 23 R 5.1359 9.2308 126.8735 55.0994 32.9529 171.0994 24 S 5.1382 8.4123 116.1509 56.5489 64.0985 175.2113 25 S 4.3407 8.7648 120.8956 60.5007 62.9337 175.3584 26 T 3.9937 7.6088 110.9006 62.3458 68.8859 174.6459 27 G 4.2023 8.3736 111.0737 45.9142 0.0000 173.9563 28 T 4.9047 7.3124 107.0587 60.2315 72.0972 173.5478 29 V 4.5983 8.4016 123.4938 61.5831 33.3412 174.9179 30 T 4.7897 9.0511 117.6866 59.3735 72.0188 175.2151 31 S 4.1496 8.7770 115.5524 61.2857 63.0020 176.4822 32 G 3.6587 7.4792 108.1470 47.2794 0.0000 173.8424 33 N 4.9746 8.2009 116.4124 52.8569 39.2988 174.5891 34 H 4.2080 8.0649 114.8644 55.7777 27.1403 175.1130 35 A 4.3163 7.9932 119.1466 53.2167 19.4085 177.5660 36 N 5.5681 9.1917 119.3773 51.1883 42.3227 173.7477 37 W 5.3254 9.1873 121.5746 55.1746 32.8358 174.9514 38 V 5.0560 9.2596 116.8957 59.6460 35.7727 174.1033 39 Q 4.7726 9.1872 124.3815 54.2745 31.7260 173.7173 40 E 4.3650 8.8962 127.5932 54.3706 31.7316 174.9943 41 K 4.6830 8.6432 126.7934 53.7195 35.1032 174.4839 42 P 4.2840 0.0000 0.0000 65.5123 31.5584 177.0134 *43 D 4.7525 8.5159 120.3029 53.7228 37.1079 171.7029 44 H 3.9481 7.8781 113.1774 57.5948 26.4040 175.2408 45 L 4.4405 7.6380 122.3662 54.1429 42.8791 174.8793 46 F 5.3087 8.8207 125.3961 56.0465 41.1525 175.4601 47 T 4.5969 8.8634 120.3827 61.3594 71.2548 173.7855 48 G 3.9181 8.8773 114.4825 46.7447 0.0000 172.2404 49 L 4.6619 9.1647 124.3250 55.8957 44.1350 176.6352 50 I 5.1895 7.7850 118.1955 59.6232 41.6187 174.3793 51 G 4.4608 9.0899 112.6745 43.5620 0.0000 171.4393 52 D 4.5817 9.8038 117.0251 55.5395 39.7962 174.3494 53 T 4.0477 8.9814 122.9221 64.3831 68.1412 174.1780 54 N 5.1154 7.9165 112.1323 52.3544 38.8580 173.2530 55 N 4.7943 8.5728 118.2810 52.3135 39.6773 174.8107 56 R 4.5621 8.6131 123.7877 55.9518 30.9163 176.9183 57 A 4.3897 9.0567 126.3420 50.3985 20.2882 174.7876 58 P 4.1592 0.0000 0.0000 65.1864 30.9802 176.9443 59 G 3.9242 8.9346 111.8926 44.8122 0.0000 173.0871 60 V 3.6823 7.1967 119.9837 61.6417 32.3508 174.0230 61 P 4.3650 0.0000 0.0000 62.9776 31.7105 177.1767 62 A 4.2394 8.5801 123.9764 54.3681 18.6244 178.8170 63 R 4.0212 8.0220 111.7384 57.3856 30.0277 175.6284 64 F 5.1056 7.9917 118.8316 56.2220 40.1294 175.5138 65 S 4.7729 9.1775 117.7582 56.5858 66.6488 173.1522 66 G 4.5756 8.6605 107.7338 44.0817 0.0000 171.7514 67 S 4.7532 8.7254 114.9620 57.7926 67.1165 173.2216 68 L 5.1090 8.5265 119.8015 53.1530 43.3108 176.6151 69 I 4.4451 8.7513 125.1202 60.1824 40.4768 176.1539 70 G 3.8317 8.3544 116.6056 47.2731 0.0000 174.0117 71 D 4.7203 8.8046 126.0358 53.9530 41.2878 175.1970 72 K 5.1966 8.0036 118.7296 54.3559 36.4221 175.1272 73 A 5.1110 8.6901 123.4884 51.4119 20.7821 176.4308 74 A 5.3437 9.3482 121.4456 50.1587 23.4681 174.8156 75 L 4.5680 8.2951 122.4192 53.3020 44.5382 175.2297 76 T 4.8425 8.7252 123.3802 61.7090 71.5944 173.4317 77 I 4.3531 8.4704 127.0526 59.7484 39.5710 175.1557 78 T 4.1534 8.0207 126.0160 62.3344 68.5337 175.1317 79 G 3.4473 8.4003 116.3210 44.5476 0.0000 172.4409 80 A 4.0710 8.5347 123.1957 52.7111 19.7284 177.2773 81 Q 4.9532 8.9922 120.8661 53.1403 31.7975 175.1045 82 P 4.3068 0.0000 0.0000 65.8790 31.4306 178.2628 83 E 4.2182 8.0744 113.5230 58.0625 29.6943 177.0746 84 D 4.6901 8.2833 119.3422 55.3868 41.1916 175.7412 85 E 4.2533 8.4728 121.1409 56.6512 30.0818 175.5383 86 A 4.3378 8.2894 127.5849 51.9376 23.0446 173.7872 87 I 4.7319 7.7138 118.5479 60.0715 39.6071 175.0082 88 Y 5.1325 8.9305 124.1538 56.2266 40.9245 174.5865 89 F 5.3547 9.5130 122.6722 55.9280 42.1695 173.6882 90 C 4.6684 9.2999 123.1434 54.9801 46.7837 172.1704 91 A 5.0286 8.5263 125.1565 50.2040 22.6522 174.9035 92 L 5.1701 8.7842 120.0984 52.6011 45.8315 175.7187 93 W 4.3908 8.8100 133.7866 56.2691 31.8997 175.4033 94 S 4.3216 8.2373 122.6015 57.6006 64.7283 173.5578 95 N 4.1586 9.0357 126.0109 54.6723 35.7752 173.4989 96 N 3.1400 7.0136 107.4641 53.9594 36.5727 174.2748 97 H 4.8020 6.3714 112.3454 53.7287 33.4988 172.8670 98 W 5.1182 9.0861 121.7499 55.9664 30.3455 175.6904 99 I 4.6648 8.7459 125.4715 59.5609 39.5904 174.6375 100 F 5.0630 9.0627 125.5259 56.0530 40.5853 176.0972 101 G 4.0256 8.9988 110.7618 45.5882 0.0000 173.8800 102 G 3.9855 8.8581 107.3539 45.7744 0.0000 174.6767 103 G 3.3867 8.5936 106.7987 45.8105 0.0000 172.8163 104 T 4.9145 8.4124 118.4239 60.4917 71.5454 173.2614 105 K 4.6274 8.9637 128.9748 55.5973 33.4056 174.9726 106 L 5.0333 9.0193 130.8317 54.1720 43.8472 174.9854 107 T 4.8041 8.8991 123.5621 61.8803 70.9240 173.5370 108 V 4.7747 8.5677 126.3971 60.7569 33.1443 175.5056 109 L 4.0244 8.6309 128.6676 56.1218 42.3451 176.9704 110 G 3.7812 8.6862 106.1071 44.4624 0.0000 172.4867 111 Q 4.4386 8.3431 119.4562 54.2937 30.7990 174.6574 *112 P 4.2492 0.0000 0.0000 61.8287 32.7315 176.1448 *127 G 3.7994 8.3492 110.1464 45.9002 0.0000 173.7052 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 *1 Q 8.33 4.32 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 2 I 7.74 3.88 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.08 0.84 0.00 0.00 3 V 8.83 4.43 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 0.94 0.00 0.00 4 V 8.38 4.96 2.28 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 0.96 0.00 0.00 0.99 0.00 0.00 5 T 8.87 4.86 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 6 Q 8.45 5.28 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 7 E 8.79 4.13 0.00 2.12 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 0.00 2.43 2.44 0.00 8 S 8.84 4.32 0.00 3.80 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 9 A 7.65 5.12 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 10 L 8.81 4.81 0.00 1.58 1.48 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.55 5.06 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 12 T 8.99 4.72 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 1.17 0.00 0.00 13 S 8.29 5.02 0.00 3.79 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 14 P 0.00 4.44 0.00 2.02 1.99 0.00 3.68 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 2.02 2.14 0.00 15 G 9.33 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 16 E 7.61 4.49 0.00 1.89 1.82 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 2.38 2.40 0.00 17 T 8.24 4.91 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 1.17 0.00 0.00 18 V 8.61 4.60 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 0.75 0.00 0.00 0.84 0.00 0.00 19 T 8.44 4.97 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 1.20 0.00 0.00 20 L 8.76 4.92 0.00 1.16 1.60 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.36 5.42 4.35 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 1.26 0.00 0.00 22 C 9.49 5.27 0.00 2.90 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 23 R 9.23 5.14 0.00 1.48 1.73 0.00 3.30 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 24 S 8.41 5.14 0.00 3.88 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 25 S 8.76 4.34 0.00 4.03 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 26 T 7.61 3.99 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 1.17 0.00 0.00 27 G 8.37 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 28 T 7.31 4.90 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 1.25 0.00 0.00 29 V 8.40 4.60 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 1.02 0.00 0.00 30 T 9.05 4.79 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 1.20 0.00 0.00 31 S 8.78 4.15 0.00 4.05 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 32 G 7.48 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 0.00 0.00 0.00 0.00 33 N 8.20 4.97 0.00 2.96 2.85 0.00 0.00 7.42 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 34 H 8.06 4.21 0.00 3.36 3.48 0.00 5.69 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 35 A 7.99 4.32 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 36 N 9.19 5.57 0.00 2.47 2.52 0.00 0.00 6.41 7.34 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 37 W 9.19 5.33 0.00 3.32 3.23 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 38 V 9.26 5.06 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 0.75 0.00 0.00 1.26 0.00 0.00 39 Q 9.19 4.77 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 1.94 1.47 0.00 40 E 8.90 4.36 0.00 1.72 1.68 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 1.80 1.47 0.00 41 K 8.64 4.68 0.00 1.67 1.60 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.48 7.81 42 P 0.00 4.28 0.00 1.99 1.97 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 *43 D 8.52 4.75 0.00 2.79 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 44 H 7.88 3.95 0.00 3.30 3.49 0.00 5.66 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.64 4.44 0.00 1.68 1.45 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.82 5.31 0.00 2.88 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 47 T 8.86 4.60 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 1.17 0.00 0.00 48 G 8.88 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 49 L 9.16 4.66 0.00 2.00 1.73 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.78 5.19 2.24 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 1.37 1.20 1.17 0.00 0.00 51 G 9.09 4.46 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 0.00 52 D 9.80 4.58 0.00 2.78 2.73 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 53 T 8.98 4.05 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 1.32 0.00 0.00 54 N 7.92 5.12 0.00 2.81 3.02 0.00 0.00 5.99 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 55 N 8.57 4.79 0.00 2.85 2.83 0.00 0.00 7.03 8.36 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 56 R 8.61 4.56 0.00 1.73 1.90 0.00 3.28 0.00 0.00 3.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 57 A 9.06 4.39 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 58 P 0.00 4.16 0.00 2.18 2.12 0.00 3.77 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 1.98 1.97 0.00 59 G 8.93 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 60 V 7.20 3.68 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 0.63 0.00 0.00 0.87 0.00 0.00 61 P 0.00 4.37 0.00 2.56 2.11 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 62 A 8.58 4.24 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 63 R 8.02 4.02 0.00 2.03 2.09 0.00 2.83 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.99 0.00 64 F 7.99 5.11 0.00 3.05 2.98 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 65 S 9.18 4.77 0.00 3.83 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 66 G 8.66 4.58 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 67 S 8.73 4.75 0.00 3.90 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 68 L 8.53 5.11 0.00 1.58 1.67 0.96 0.85 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 69 I 8.75 4.45 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 1.25 0.72 0.92 0.00 0.00 70 G 8.35 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.80 4.72 0.00 2.73 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 72 K 8.00 5.20 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 73 A 8.69 5.11 1.45 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 0.00 0.00 74 A 9.35 5.34 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 75 L 8.30 4.57 0.00 0.27 0.17 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.73 4.84 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 77 I 8.47 4.35 1.54 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.36 0.33 0.00 0.00 78 T 8.02 4.15 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 1.15 0.00 0.00 79 G 8.40 3.45 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 0.00 0.00 0.00 80 A 8.53 4.07 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 81 Q 8.99 4.95 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.52 0.00 82 P 0.00 4.31 0.00 2.18 2.13 0.00 3.60 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 2.12 2.10 0.00 83 E 8.07 4.22 0.00 2.12 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 0.00 2.35 2.33 0.00 84 D 8.28 4.69 0.00 2.86 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 85 E 8.47 4.25 0.00 2.07 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 2.34 2.42 0.00 86 A 8.29 4.34 0.98 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 0.00 0.00 87 I 7.71 4.73 1.76 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 1.16 0.71 0.41 0.00 0.00 88 Y 8.93 5.13 0.00 3.09 3.20 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 89 F 9.51 5.35 0.00 3.19 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 90 C 9.30 4.67 0.00 1.44 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 91 A 8.53 5.03 0.53 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 0.00 0.00 92 L 8.78 5.17 0.00 1.55 1.50 0.90 0.64 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 93 W 8.81 4.39 0.00 1.78 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 94 S 8.24 4.32 0.00 3.62 3.42 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 95 N 9.04 4.16 0.00 2.62 2.67 0.00 0.00 7.17 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 96 N 7.01 3.14 0.00 2.60 2.67 0.00 0.00 6.95 8.16 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 97 H 6.37 4.80 0.00 3.04 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 9.09 5.12 0.00 3.26 2.93 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 99 I 8.75 4.66 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 1.18 0.97 0.96 0.00 0.00 100 F 9.06 5.06 0.00 2.93 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 0.00 101 G 9.00 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 0.00 102 G 8.86 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 0.00 103 G 8.59 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 0.00 0.00 0.00 104 T 8.41 4.91 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 1.30 0.00 0.00 105 K 8.96 4.63 0.00 1.83 1.70 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.39 7.81 106 L 9.02 5.03 0.00 1.93 1.77 0.89 0.76 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 0.00 107 T 8.90 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 1.22 0.00 0.00 108 V 8.57 4.77 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 0.77 0.00 0.00 0.98 0.00 0.00 109 L 8.63 4.02 0.00 1.55 1.59 0.91 1.31 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 0.00 110 G 8.69 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 0.00 111 Q 8.34 4.44 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 *112 P 0.00 4.25 0.00 1.83 1.86 0.00 3.65 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 1.84 2.09 0.00 *127 G 8.35 3.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.