NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3166 8.4444 121.4762 55.3220 30.8349 174.9920 4 L 3.9755 8.6878 126.5844 55.7169 42.6165 174.6526 5 Q 4.7431 9.5349 124.5174 54.0902 33.6228 173.7448 6 V 4.6676 8.3120 121.1085 61.4254 33.3815 174.7937 7 I 4.3890 8.9221 129.3122 59.8555 38.0789 174.7288 8 Q 5.1561 8.8324 127.1548 52.5877 29.4922 174.7422 9 P 4.4008 0.0000 0.0000 64.3949 31.9423 176.6671 10 E 4.6696 7.3405 117.7636 54.7040 31.2118 176.0375 11 K 4.3271 8.5245 121.7168 58.6651 33.6851 176.6910 12 S 5.0921 7.7770 112.2633 56.8400 65.8747 173.6186 13 V 4.6359 9.1502 126.0067 61.1385 34.6384 174.2787 14 S 5.7071 8.5430 120.6577 55.8486 66.2601 173.3387 15 V 4.6488 8.1042 113.1550 59.3051 36.5623 174.5378 16 A 4.4171 8.5138 123.4420 51.5300 19.6362 177.1558 17 A 4.2948 8.5071 123.4297 54.0343 18.6727 178.5524 18 G 4.3548 9.5296 111.3782 44.6282 0.0000 173.3909 19 E 4.3471 7.8503 119.3760 55.8405 31.0225 176.3643 20 S 4.9093 8.4616 116.6311 58.2803 64.8118 173.1633 21 A 4.7447 8.6181 123.0652 50.4820 22.2855 175.0463 22 T 4.7340 8.4002 117.7498 61.8013 70.6537 173.9781 23 L 4.5574 8.5999 126.9404 53.0121 44.1486 175.9117 24 R 4.8162 8.5755 123.2998 55.7478 32.2385 176.1189 25 C 5.4431 9.0884 120.7796 55.7696 45.4951 172.4617 26 A 5.5063 9.1720 125.6045 50.8177 22.6933 174.8367 27 M 5.0972 8.9172 119.4398 54.3006 33.6770 176.7764 28 T 4.3710 8.4984 111.2141 62.9102 69.7403 174.4866 29 S 4.6551 7.7287 115.0256 57.2538 65.2722 173.5174 30 L 4.3973 8.4489 123.3286 55.4737 42.0310 176.9969 31 I 4.5210 7.3827 119.9171 58.3014 39.7928 173.8370 32 P 4.3705 0.0000 0.0000 62.2261 32.1953 176.5874 33 V 3.7681 8.0898 112.8685 60.5223 32.1839 175.9183 34 G 5.0617 8.2108 113.9674 44.1070 0.0000 170.3314 35 P 4.7222 0.0000 0.0000 62.6063 33.2376 174.9827 36 I 4.7745 8.3886 121.7714 60.3544 39.2777 174.8310 37 M 5.2806 9.1890 124.7519 53.4019 36.7076 174.1978 38 W 5.3401 9.0215 120.4548 55.1377 32.5303 175.0141 39 F 5.4503 9.5401 121.3459 55.8105 43.1658 173.8090 40 R 4.4016 9.2086 122.7576 56.3113 31.1171 177.1735 41 G 4.3579 9.8162 111.6690 46.0715 0.0000 172.5088 42 A 4.1585 8.0773 119.3325 51.0930 20.1708 176.5951 43 G 3.8419 7.6367 106.7542 44.3322 0.0000 174.8504 44 A 3.8959 8.4830 121.5501 54.8870 18.2947 178.6078 45 G 4.0129 7.8984 102.9511 45.3456 0.0000 174.0271 46 R 4.1331 7.6272 116.3077 56.1911 29.9328 175.2739 47 E 4.7194 8.9104 120.9154 54.3849 31.6216 174.6926 48 L 4.2152 8.8792 129.6342 55.5603 42.1089 176.0748 49 I 4.4562 8.6048 127.4035 62.8356 39.2247 175.6193 50 Y 2.9907 6.9995 120.2470 55.8584 41.4952 172.9353 51 N 4.6282 5.9897 123.4333 51.4927 41.5417 174.2628 52 Q 4.2084 8.6773 128.5509 59.4493 29.2351 177.9876 53 K 4.0722 8.5585 119.7731 58.6627 32.3729 176.1442 54 E 4.5998 7.4611 113.2915 56.0366 32.2535 174.3775 55 G 3.6814 8.6635 106.0138 44.7848 0.0000 172.6651 56 H 4.5974 7.6510 118.5196 54.2854 31.5045 174.6632 57 F 4.9280 8.0244 126.0786 55.0158 39.2318 173.8534 58 P 4.2816 0.0000 0.0000 65.4716 31.9441 178.7192 59 R 4.1189 8.0520 116.5995 57.1468 30.4740 175.3862 60 V 4.8404 7.7899 118.6748 61.2079 33.6375 174.8645 61 T 4.7464 8.5795 124.3032 61.7305 71.6262 173.4774 62 T 4.2662 8.3686 116.4996 61.4173 69.4614 174.9627 63 V 3.6916 8.6080 125.5187 65.8043 31.9197 176.5124 64 S 4.6127 7.7236 113.9988 56.4340 64.9954 173.3103 65 E 4.1675 8.3403 123.2030 55.6392 29.2895 177.5917 66 L 4.0677 8.5060 127.4291 57.4877 41.9529 178.2206 67 T 4.2258 7.9070 106.9598 62.0076 69.0769 175.0304 68 K 4.0864 7.7800 125.3302 55.8784 32.8414 176.0253 69 R 3.8916 8.4003 125.6590 57.9003 30.4563 175.8852 70 N 4.2957 8.9816 119.7795 53.7297 36.2361 173.8105 71 N 4.3482 7.7421 117.1074 54.0425 39.4632 174.4518 72 L 4.9208 8.3942 122.5283 54.3194 44.3293 174.8096 73 D 5.0153 7.8623 119.7750 52.6900 41.8697 175.9655 74 F 4.8919 8.9275 125.1064 57.2802 40.3079 176.0248 75 S 4.8802 8.5897 116.0055 58.9277 63.8960 173.4964 76 I 4.8391 8.5031 115.7756 59.0827 41.3443 173.7704 77 S 5.0293 8.9083 118.2541 56.5627 65.0577 172.5657 78 I 4.9139 8.3344 128.0869 59.3826 39.3284 175.5416 79 S 4.4556 8.6686 121.8400 57.1993 64.2878 173.4346 80 N 4.2087 8.2848 116.6980 53.6302 37.0291 174.1116 81 I 4.3012 8.1164 121.0356 61.4826 38.3463 176.3105 82 T 4.9547 8.7186 114.3536 58.6336 72.0285 172.9100 83 P 4.2713 0.0000 0.0000 65.6397 31.3360 178.7856 84 A 4.1023 8.0515 119.5923 54.6897 18.3159 177.5928 85 D 4.7221 8.2229 113.9832 54.5751 41.4735 176.8015 86 A 4.4057 7.9196 122.1372 51.4346 19.2652 177.8392 87 G 3.9946 7.7076 106.4845 46.8756 0.0000 170.5411 88 T 5.1525 7.8357 116.0585 62.0872 70.7896 173.5564 89 Y 5.2455 9.0238 124.4451 56.4816 40.7813 174.2969 90 Y 5.1118 9.6393 121.7159 56.3388 41.7147 173.6571 91 C 4.0540 9.0086 124.7173 54.8927 44.3265 172.3838 92 V 4.8236 8.6821 126.0666 60.9494 34.6295 173.9247 93 K 4.5788 8.9441 129.9506 55.8180 33.6152 175.3422 94 F 5.0324 9.2675 126.0825 55.8167 42.1504 174.4662 95 R 4.7427 8.7233 122.8828 54.5545 31.5635 175.4936 96 K 4.3412 8.7485 128.8949 58.3374 32.6651 173.8238 97 G 4.1534 9.3001 112.0642 44.9673 0.0000 173.9557 *100 D 4.4247 8.9974 118.2526 53.8281 42.8820 174.8580 101 D 4.8187 8.5042 122.2451 54.5648 41.7681 176.1531 102 V 4.8195 8.4061 114.8515 59.1529 36.1965 174.7114 103 E 3.0309 8.8161 124.4425 56.7377 29.5237 175.2994 104 F 4.7857 8.9093 128.9418 59.4366 40.9158 175.6205 105 K 4.5117 7.6014 116.0091 54.9073 36.5556 174.6758 106 S 4.9949 8.3594 116.7870 56.2282 65.4927 173.7297 107 G 3.9968 8.9627 113.0859 45.7739 0.0000 173.5272 108 A 4.3091 8.6329 121.6331 52.8349 18.9560 178.8080 109 G 3.5163 8.9029 102.1195 45.6042 0.0000 173.0724 110 T 4.7879 8.5555 117.5449 61.4276 72.3617 173.3811 111 E 4.7275 9.3382 127.0923 56.1591 31.1940 175.6304 112 L 5.6077 9.3772 125.5136 52.5666 45.4538 175.2718 113 S 4.9190 8.2632 118.2956 57.3011 66.6880 172.9146 114 V 4.4495 8.1945 120.6283 62.0140 32.0576 175.8432 115 R 4.0744 8.8149 127.0329 56.3514 30.8250 176.7194 116 A 4.1374 8.4896 123.9411 52.5880 18.4165 177.4241 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 E 8.44 4.32 0.00 1.98 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 2.24 2.49 0.00 4 L 8.69 3.98 0.00 2.07 1.88 1.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.53 4.74 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 6 V 8.31 4.67 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 0.77 0.00 0.00 0.92 0.00 0.00 7 I 8.92 4.39 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 0.94 0.00 0.00 8 Q 8.83 5.16 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.11 0.00 9 P 0.00 4.40 0.00 2.20 2.21 0.00 4.01 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 2.03 2.02 0.00 10 E 7.34 4.67 0.00 2.01 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 2.26 2.30 0.00 11 K 8.52 4.33 0.00 1.69 1.85 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.38 7.81 12 S 7.78 5.09 0.00 3.83 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 13 V 9.15 4.64 2.01 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 0.87 0.00 0.00 0.94 0.00 0.00 14 S 8.54 5.71 0.00 3.88 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 15 V 8.10 4.65 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 0.71 0.00 0.00 0.88 0.00 0.00 16 A 8.51 4.42 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 17 A 8.51 4.29 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 18 G 9.53 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 0.00 0.00 0.00 0.00 19 E 7.85 4.35 0.00 2.02 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 2.30 2.41 0.00 20 S 8.46 4.91 0.00 3.72 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 21 A 8.62 4.74 1.04 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 22 T 8.40 4.73 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 1.19 0.00 0.00 23 L 8.60 4.56 0.00 0.65 1.21 -0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.58 4.82 0.00 1.95 1.91 0.00 3.17 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 25 C 9.09 5.44 0.00 3.09 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 26 A 9.17 5.51 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 27 M 8.92 5.10 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 28 T 8.50 4.37 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 1.30 0.00 0.00 29 S 7.73 4.66 0.00 3.84 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 30 L 8.45 4.40 0.00 1.70 1.73 0.95 0.89 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 31 I 7.38 4.52 1.86 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 1.35 0.88 0.87 0.00 0.00 32 P 0.00 4.37 0.00 1.84 1.71 0.00 3.50 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.49 0.00 33 V 8.09 3.77 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 0.76 0.00 0.00 0.90 0.00 0.00 34 G 8.21 5.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.72 0.00 2.06 2.16 0.00 3.75 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 2.02 2.03 0.00 36 I 8.39 4.77 1.38 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.19 0.67 0.00 0.00 37 M 9.19 5.28 0.00 1.53 1.90 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 38 W 9.02 5.34 0.00 3.21 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 39 F 9.54 5.45 0.00 3.07 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 40 R 9.21 4.40 0.00 1.18 1.66 0.00 3.14 0.00 0.00 2.86 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.00 41 G 9.82 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 0.00 0.00 0.00 0.00 42 A 8.08 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.64 3.84 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 0.00 0.00 0.00 44 A 8.48 3.90 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 45 G 7.90 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 46 R 7.63 4.13 0.00 2.20 1.97 0.00 2.38 0.00 0.00 2.73 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 47 E 8.91 4.72 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 2.33 2.32 0.00 48 L 8.88 4.22 0.00 1.87 1.72 0.46 1.20 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 49 I 8.60 4.46 2.18 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.24 1.03 0.00 0.00 50 Y 7.00 2.99 0.00 2.82 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 51 N 5.99 4.63 0.00 2.55 2.67 0.00 0.00 6.79 7.12 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 52 Q 8.68 4.21 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 53 K 8.56 4.07 0.00 1.72 1.93 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.36 7.81 54 E 7.46 4.60 0.00 2.23 1.85 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 2.11 2.16 0.00 55 G 8.66 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.65 4.60 0.00 2.85 2.97 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.02 4.93 0.00 3.28 3.04 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 58 P 0.00 4.28 0.00 2.15 2.09 0.00 3.64 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 59 R 8.05 4.12 0.00 1.94 2.01 0.00 3.10 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 60 V 7.79 4.84 2.35 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 0.42 0.00 0.00 0.98 0.00 0.00 61 T 8.58 4.75 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 1.17 0.00 0.00 62 T 8.37 4.27 4.17 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 0.94 0.00 0.00 63 V 8.61 3.69 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 0.75 0.00 0.00 0.86 0.00 0.00 64 S 7.72 4.61 0.00 3.74 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 65 E 8.34 4.17 0.00 2.03 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 2.37 2.39 0.00 66 L 8.51 4.07 0.00 1.78 1.85 1.28 0.84 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 67 T 7.91 4.23 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 68 K 7.78 4.09 0.00 1.85 1.79 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.37 7.81 69 R 8.40 3.89 0.00 1.80 1.82 0.00 3.47 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 70 N 8.98 4.30 0.00 2.93 2.93 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 71 N 7.74 4.35 0.00 2.67 2.66 0.00 0.00 6.86 7.44 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 72 L 8.39 4.92 0.00 1.62 1.88 1.02 1.13 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 73 D 7.86 5.02 0.00 2.61 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 74 F 8.93 4.89 0.00 3.04 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 75 S 8.59 4.88 0.00 3.82 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 76 I 8.50 4.84 1.40 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 -0.20 0.47 0.54 0.00 0.00 77 S 8.91 5.03 0.00 3.72 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 78 I 8.33 4.91 1.66 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.40 0.84 0.00 0.00 79 S 8.67 4.46 0.00 3.86 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 80 N 8.28 4.21 0.00 2.93 2.79 0.00 0.00 7.71 7.79 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 81 I 8.12 4.30 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.88 0.00 0.00 82 T 8.72 4.95 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 1.26 0.00 0.00 83 P 0.00 4.27 0.00 2.21 2.18 0.00 3.61 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 2.13 2.11 0.00 84 A 8.05 4.10 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 85 D 8.22 4.72 0.00 2.82 2.82 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 86 A 7.92 4.41 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 87 G 7.71 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 88 T 7.84 5.15 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 0.81 0.00 0.00 89 Y 9.02 5.25 0.00 3.03 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 Y 9.64 5.11 0.00 2.96 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 91 C 9.01 4.05 0.00 1.23 2.47 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 0.00 0.00 0.00 0.00 92 V 8.68 4.82 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 0.83 0.00 0.00 1.16 0.00 0.00 93 K 8.94 4.58 0.00 1.86 1.80 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.53 1.54 7.81 94 F 9.27 5.03 0.00 3.13 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 95 R 8.72 4.74 0.00 1.57 1.77 0.00 3.05 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 0.00 96 K 8.75 4.34 0.00 1.82 1.69 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 97 G 9.30 4.15 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 0.00 *100 D 9.00 4.42 0.00 2.80 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 0.00 101 D 8.50 4.82 0.00 2.68 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 0.00 102 V 8.41 4.82 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 0.82 0.00 0.00 0.99 0.00 0.00 103 E 8.82 3.03 0.00 1.46 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 2.00 1.78 0.00 104 F 8.91 4.79 0.00 2.84 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 0.00 105 K 7.60 4.51 0.00 1.61 1.49 0.00 1.43 0.00 0.00 1.31 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.60 1.34 7.81 106 S 8.36 4.99 0.00 3.89 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 0.00 107 G 8.96 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 0.00 108 A 8.63 4.31 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 0.00 109 G 8.90 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 0.00 0.00 0.00 110 T 8.56 4.79 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 1.27 0.00 0.00 111 E 9.34 4.73 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 2.35 2.26 0.00 112 L 9.38 5.61 0.00 1.50 1.54 0.78 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.26 4.92 0.00 3.91 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 0.00 114 V 8.19 4.45 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 0.86 0.00 0.00 0.96 0.00 0.00 115 R 8.81 4.07 0.00 1.67 1.86 0.00 3.21 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 116 A 8.49 4.14 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 * Residues marked with a * may have inaccurate shift predictions.