NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6458 8.4249 118.1260 52.6163 40.8316 174.0970 3 K 4.2277 7.5803 118.5201 54.9397 33.8180 175.3843 4 N 4.6302 9.2371 116.8083 55.3858 39.3415 177.6249 5 I 3.6694 7.6512 121.4773 64.5440 36.9510 177.2593 6 D 4.4843 8.2067 119.0590 58.3426 40.6315 178.8724 7 T 3.8545 7.5812 113.9328 67.2776 68.4826 176.6760 8 V 3.6626 8.4424 120.1219 66.0571 31.6766 178.4941 9 R 3.9246 8.8231 116.3796 59.2313 29.0679 178.7558 10 E 3.9750 7.8821 118.1899 59.2714 29.4001 178.9380 11 I 3.7590 7.6474 119.4029 64.6389 37.2256 178.4475 12 I 3.7507 8.1509 120.2853 64.9231 37.0255 178.8728 13 T 3.8621 8.3335 116.9475 66.5800 68.3571 177.1163 14 V 3.6052 7.7304 119.9980 65.5122 31.4333 177.8047 15 A 4.1470 8.2320 120.7703 55.3292 18.2821 179.2172 16 S 3.7817 8.4740 111.6100 61.7855 62.1739 176.5049 17 I 3.7196 7.6088 120.7725 64.4269 37.1573 177.9121 18 L 4.1879 7.9417 120.4079 57.0860 41.9020 178.7589 19 I 3.8869 8.0577 115.0821 64.0383 37.8042 177.7705 20 K 3.7800 7.9910 117.5332 57.5605 33.0309 175.6017 21 F 4.8074 8.1912 116.7672 57.3095 39.0814 176.1400 22 S 4.6042 7.6008 114.1186 58.7761 66.1696 174.6094 23 R 4.4425 8.4386 127.5208 55.0943 31.2409 175.4771 24 E 4.2688 8.4954 124.2638 58.1474 30.3219 178.6173 25 D 4.5116 8.1645 117.4906 56.2955 39.6887 177.0383 26 I 4.1307 7.4814 111.7581 61.7967 38.6343 177.9024 27 V 3.7055 7.6546 120.3351 65.0524 31.5572 176.4780 28 E 3.9549 8.3182 120.0005 58.8997 29.4500 177.1837 29 N 4.7799 7.4549 121.8410 51.6471 38.0592 175.0965 30 R 4.4568 8.2348 120.0139 57.4782 29.8365 178.0429 31 A 4.0547 7.9354 122.2081 55.0576 18.4337 179.2541 32 N 4.3652 8.4537 115.3866 56.3494 38.6658 176.9610 33 F 4.2793 8.3957 121.6713 61.6688 39.2162 176.9754 34 I 2.9707 7.1847 118.6802 64.2956 36.4948 178.1847 35 A 4.0667 7.8373 119.6977 54.0306 18.0432 179.0816 36 F 4.2250 7.9847 115.5124 59.4760 39.6808 177.3988 37 L 4.2131 7.9576 120.3330 57.8580 41.8554 178.6267 38 N 4.4254 8.6658 117.0520 56.2268 38.2576 177.1304 39 E 3.7470 7.4698 118.9442 59.4577 29.8869 178.6858 40 I 3.8844 7.0320 117.6697 63.9505 37.1583 176.9186 41 G 4.0875 7.8429 107.4017 45.5065 0.0000 173.6943 42 V 3.8571 7.7983 120.1509 61.9515 31.1765 175.2263 43 T 4.8966 8.1932 116.9240 60.2659 72.4194 174.8157 44 H 4.8853 7.7432 118.9137 56.3976 29.3363 177.3114 45 E 4.2446 8.9055 126.0344 56.0218 27.4836 177.3029 46 G 3.8634 8.2289 106.2825 45.6435 0.0000 171.1826 47 R 4.6623 7.2673 117.0539 54.1093 34.2779 174.5035 48 K 4.3318 8.2365 118.7444 55.5637 32.9801 176.5327 49 L 4.0894 8.7042 122.9186 54.6085 42.5736 175.3274 50 N 4.9695 8.3593 123.9938 51.5427 41.0289 175.4052 51 Q 4.1341 8.5030 122.3520 58.5225 28.9504 177.7564 52 N 4.4365 8.1160 117.3577 56.6027 39.3888 176.0681 53 S 4.6650 7.9906 112.5996 58.7667 63.0793 175.5204 54 F 3.9756 8.0907 123.8745 61.1440 38.3310 177.2800 55 R 3.9383 7.6915 115.7168 59.2292 29.0197 178.6334 56 K 4.0832 7.7427 117.9119 58.5842 32.1399 177.9799 57 I 3.8650 7.3721 120.4039 64.1958 36.6902 178.0359 58 V 3.6965 7.8433 113.4873 64.1485 31.4485 179.1690 59 S 4.1530 7.4887 113.7145 61.4608 62.7725 175.1776 60 E 4.1776 7.4978 117.3649 57.2227 29.4719 176.9240 61 L 4.3729 7.2534 118.7330 54.0353 43.0545 175.7911 62 T 4.6666 8.0901 110.7393 59.5992 71.7029 174.8290 63 Q 3.9396 8.4709 120.5431 59.0647 28.8652 177.1919 64 E 3.8778 8.2347 120.1231 59.7466 29.5517 178.6565 65 D 4.3586 7.9635 118.0608 56.9738 40.4161 178.6546 66 K 3.8076 7.8156 118.6883 59.4402 32.0670 179.0482 67 K 3.8408 7.9462 119.2416 59.8688 32.1752 178.6234 68 T 3.8307 7.5264 115.6835 66.7723 68.0647 175.7854 69 L 3.9983 7.9582 121.7265 58.3714 41.5883 179.0609 70 I 3.6351 7.2771 118.9236 64.3625 36.8572 177.7681 71 D 4.3398 8.3233 118.0728 57.5321 41.1195 178.1209 72 E 3.8608 8.3566 118.1181 58.1772 31.0834 177.6183 73 F 5.0289 7.5194 115.3910 56.0089 39.2311 175.7752 74 N 4.6991 7.8738 122.2772 55.9144 39.3408 175.5234 75 E 4.1275 8.4949 120.1172 59.6290 29.6088 179.4451 76 G 3.6903 8.2552 104.9626 47.3112 0.0000 175.5245 77 F 4.3385 8.4537 122.9789 61.4507 39.4543 177.0010 78 E 3.8708 8.6315 118.6605 59.2460 29.1285 179.2597 79 G 3.8885 8.2357 105.9856 48.3394 0.0000 176.0085 80 V 3.6895 7.8652 122.0672 63.9754 31.4737 177.7171 81 Y 3.8215 8.1984 120.8203 60.3653 38.1979 178.0640 82 R 3.8179 8.3727 120.0891 59.3592 30.2228 177.7953 83 Y 4.0161 7.8004 119.2685 60.5452 38.3720 177.5795 84 L 3.9411 8.3583 121.5727 58.6554 41.9345 179.0373 85 E 3.7271 7.4615 116.5644 58.9537 29.3768 178.4838 86 M 4.0779 7.4348 117.0988 58.5986 32.6728 176.2181 87 Y 3.9457 8.3596 116.3442 58.0116 38.8221 174.9153 88 T 4.2053 7.5624 113.0216 61.4472 71.2976 172.5941 89 N 4.5010 8.8497 129.6108 52.8786 39.8222 175.5226 *90 K 4.1014 8.5581 126.0497 54.8647 32.4889 171.9298 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 8.42 4.65 0.00 2.73 2.94 0.00 0.00 6.95 6.73 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 3 K 7.58 4.23 0.00 2.14 1.80 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 N 9.24 4.63 0.00 2.78 2.82 0.00 0.00 6.98 7.67 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 5 I 7.65 3.67 1.89 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 1.64 0.85 0.97 0.00 0.00 6 D 8.21 4.48 0.00 2.95 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 7 T 7.58 3.85 4.41 0.00 0.00 0.00 0.00 0.00 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 8 V 8.44 3.66 2.17 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 1.13 0.00 0.00 0.93 0.00 0.00 9 R 8.82 3.92 0.00 1.95 2.26 0.00 2.83 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 10 E 7.88 3.98 0.00 2.20 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 2.29 2.31 0.00 11 I 7.65 3.76 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.98 1.07 0.00 0.00 12 I 8.15 3.75 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 0.94 0.00 0.00 13 T 8.33 3.86 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 1.11 0.00 0.00 14 V 7.73 3.61 2.23 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 1.05 0.00 0.00 0.95 0.00 0.00 15 A 8.23 4.15 1.47 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 0.00 0.00 16 S 8.47 3.78 0.00 3.91 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 17 I 7.61 3.72 1.88 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 1.42 0.79 0.93 0.00 0.00 18 L 7.94 4.19 0.00 1.77 1.92 1.06 0.86 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 19 I 8.06 3.89 1.57 0.00 0.00 -0.48 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 0.29 0.72 0.00 0.00 20 K 7.99 3.78 0.00 1.93 1.77 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.64 7.81 21 F 8.19 4.81 0.00 3.11 2.88 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 22 S 7.60 4.60 0.00 4.08 3.74 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 23 R 8.44 4.44 0.00 1.78 1.74 0.00 3.09 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.47 0.00 24 E 8.50 4.27 0.00 2.16 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 2.35 2.52 0.00 25 D 8.16 4.51 0.00 2.63 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 26 I 7.48 4.13 1.92 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.63 0.00 0.00 27 V 7.65 3.71 1.98 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 0.56 0.00 0.00 0.08 0.00 0.00 28 E 8.32 3.95 0.00 1.98 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 0.00 2.31 2.28 0.00 29 N 7.45 4.78 0.00 2.73 2.70 0.00 0.00 7.11 7.54 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 30 R 8.23 4.46 0.00 2.30 2.24 0.00 3.00 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 31 A 7.94 4.05 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 32 N 8.45 4.37 0.00 3.07 2.91 0.00 0.00 6.54 7.67 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 33 F 8.40 4.28 0.00 3.04 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 34 I 7.18 2.97 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.35 0.77 0.00 0.00 35 A 7.84 4.07 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 F 7.98 4.23 0.00 3.11 3.17 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 37 L 7.96 4.21 0.00 1.85 1.75 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.67 4.43 0.00 2.71 2.81 0.00 0.00 6.75 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 39 E 7.47 3.75 0.00 2.10 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 2.17 2.22 0.00 40 I 7.03 3.88 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.01 0.92 0.00 0.00 41 G 7.84 4.09 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 0.00 0.00 0.00 42 V 7.80 3.86 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 0.80 0.00 0.00 0.95 0.00 0.00 43 T 8.19 4.90 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 44 H 7.74 4.89 0.00 3.10 2.47 0.00 5.84 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.91 4.24 0.00 2.04 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 2.39 2.33 0.00 46 G 8.23 3.86 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 0.00 0.00 0.00 47 R 7.27 4.66 0.00 1.89 1.79 0.00 3.28 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 48 K 8.24 4.33 0.00 1.71 1.80 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.56 7.81 49 L 8.70 4.09 0.00 1.46 1.48 0.69 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.36 4.97 0.00 2.72 2.61 0.00 0.00 6.97 6.73 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 51 Q 8.50 4.13 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 52 N 8.12 4.44 0.00 2.78 2.87 0.00 0.00 7.06 7.53 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 53 S 7.99 4.67 0.00 3.89 3.86 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 54 F 8.09 3.98 0.00 3.34 3.14 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 55 R 7.69 3.94 0.00 2.02 2.24 0.00 2.88 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 56 K 7.74 4.08 0.00 1.78 2.00 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 57 I 7.37 3.87 1.31 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 1.77 0.78 0.60 0.00 0.00 58 V 7.84 3.70 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 0.59 0.00 0.00 0.95 0.00 0.00 59 S 7.49 4.15 0.00 3.86 3.91 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 60 E 7.50 4.18 0.00 2.10 1.96 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 2.32 2.30 0.00 61 L 7.25 4.37 0.00 1.62 1.55 0.85 0.74 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 62 T 8.09 4.67 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 1.23 0.00 0.00 63 Q 8.47 3.94 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 64 E 8.23 3.88 0.00 2.09 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 2.47 0.00 65 D 7.96 4.36 0.00 2.94 2.68 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 66 K 7.82 3.81 0.00 1.97 1.80 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.64 7.81 67 K 7.95 3.84 0.00 1.85 1.95 0.00 1.50 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.48 7.81 68 T 7.53 3.83 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 1.20 0.00 0.00 69 L 7.96 4.00 0.00 1.88 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.28 3.64 1.83 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 0.07 0.67 0.78 0.00 0.00 71 D 8.32 4.34 0.00 2.76 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 72 E 8.36 3.86 0.00 1.79 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 2.16 2.35 0.00 73 F 7.52 5.03 0.00 3.15 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 74 N 7.87 4.70 0.00 2.98 2.87 0.00 0.00 7.73 7.72 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 75 E 8.49 4.13 0.00 2.18 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 2.47 2.48 0.00 76 G 8.26 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 77 F 8.45 4.34 0.00 3.24 3.28 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 78 E 8.63 3.87 0.00 2.08 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 0.00 2.50 2.51 0.00 79 G 8.24 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 0.00 0.00 0.00 80 V 7.87 3.69 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 1.10 0.00 0.00 0.81 0.00 0.00 81 Y 8.20 3.82 0.00 2.38 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 82 R 8.37 3.82 0.00 2.05 2.08 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 83 Y 7.80 4.02 0.00 3.02 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 84 L 8.36 3.94 0.00 1.84 1.58 1.04 1.00 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 85 E 7.46 3.73 0.00 1.74 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 2.06 1.81 0.00 86 M 7.43 4.08 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 87 Y 8.36 3.95 0.00 2.53 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 88 T 7.56 4.21 4.29 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 1.26 0.00 0.00 89 N 8.85 4.50 0.00 2.70 2.70 0.00 0.00 6.92 6.70 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 *90 K 8.56 4.10 0.00 1.51 1.57 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.