NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4969 8.3049 120.3554 54.9814 33.3925 175.3364 2 K 4.2669 8.7655 125.2587 54.9875 33.0350 174.5729 3 T 4.9414 9.1240 111.5432 60.1209 72.7620 172.6270 4 L 5.3176 8.8840 125.0725 53.6899 45.1507 174.7921 5 M 5.3298 9.2482 125.6544 53.5188 35.3252 174.6778 6 V 4.7543 8.7494 123.4745 61.1904 34.6625 174.1534 7 F 5.0217 9.4104 127.8833 56.2056 39.8514 174.7487 8 D 5.4441 9.6077 125.1510 52.2090 42.7456 174.9759 9 P 4.4469 0.0000 0.0000 62.3441 32.1394 176.7572 10 A 4.0332 8.4269 119.9890 53.6082 17.9661 178.2361 *24 Q 4.3088 8.1348 121.5044 57.2228 31.0575 177.2701 25 A 4.0459 8.0235 119.1588 55.1446 18.3274 179.4042 26 L 3.6058 7.8594 116.9828 57.6994 41.7366 179.7425 27 V 3.5387 7.6812 117.5736 66.2041 31.6364 177.5451 28 D 4.3506 8.3278 118.8646 57.3751 40.6513 178.7021 29 F 4.1927 8.3630 121.1078 61.2802 39.3703 176.9317 30 S 3.8999 8.2248 112.9247 61.7745 62.1292 176.3073 31 T 3.8312 7.7874 118.1779 66.8530 68.1985 176.4045 32 D 4.5307 8.1429 120.7534 57.1752 40.7553 178.9193 33 V 3.3727 7.8132 119.2486 66.0634 31.4579 178.1246 34 Q 3.9358 7.9657 117.7345 58.5164 28.4533 178.4627 35 W 4.2714 8.2378 129.3513 60.6600 30.7973 178.0105 36 L 3.2174 7.8642 118.6764 57.4256 40.9593 179.6196 37 K 3.9512 8.1871 118.7834 59.6830 31.7692 179.4510 38 Q 4.0013 7.8886 117.0095 58.7270 28.6671 178.3940 39 S 4.2273 7.2613 114.3139 59.1620 63.0000 175.0826 40 G 3.9215 7.5003 109.7599 44.6668 0.0000 173.7005 41 V 3.6052 7.1432 119.8533 62.3125 32.4192 175.3904 42 Q 4.2867 8.5099 128.9066 55.5640 30.1014 174.2627 43 I 5.1236 8.2400 126.7722 59.5669 40.6709 174.6620 44 E 4.5832 9.1256 125.8548 54.4376 32.6828 175.2050 45 R 4.9265 8.0460 121.7512 54.3823 33.5149 175.2383 46 F 5.0605 8.9196 120.2090 55.8465 43.4996 173.5287 47 N 6.0435 8.8503 118.5433 49.9305 40.7466 175.0745 48 L 3.8706 8.5766 118.5680 57.1476 41.6185 178.5717 49 A 4.2164 8.1682 121.1247 53.8793 18.9549 177.9292 50 Q 4.5897 8.1995 112.5592 56.6348 31.6927 175.9850 51 Q 4.9111 8.5589 116.7659 54.6526 29.6675 175.4827 52 P 4.4555 0.0000 0.0000 65.8055 32.2878 178.5876 53 M 4.2927 8.1784 118.3854 57.8807 31.9423 178.3896 54 S 4.1955 8.2179 115.2856 61.3145 62.7057 176.0735 55 F 4.1573 8.4085 118.9737 59.0528 38.8589 177.0036 56 V 4.2394 7.5982 110.1520 62.3416 32.8816 177.4791 57 Q 4.2413 7.9514 117.3634 57.0194 28.8651 175.7539 58 N 4.5353 7.5273 119.3147 52.3908 39.4595 175.5228 59 E 3.9601 8.6590 126.1880 59.2578 29.5917 179.4143 60 K 3.9445 7.9049 118.3549 59.2554 32.0881 179.4126 61 V 3.3185 7.9512 118.8007 65.5849 31.3138 177.8680 62 K 3.9382 8.0412 119.2281 59.6695 32.0341 178.6136 63 A 3.9963 8.0951 120.9212 54.9326 18.2735 179.4267 64 F 4.0227 8.3472 119.2307 61.5137 39.5407 177.4207 65 I 3.6630 8.2162 119.8259 64.3647 36.6791 178.0324 66 E 3.8742 7.9442 118.8426 59.0596 29.5158 178.5041 67 A 4.0264 7.7719 119.7313 54.9212 18.6393 178.8856 68 S 4.1252 8.1992 111.1478 57.2398 62.8873 175.1886 69 G 3.9039 7.4439 105.8438 45.2569 0.0000 174.2413 70 A 4.0505 8.3809 122.4696 54.7806 18.5471 179.7926 71 E 4.1330 8.1968 114.2822 58.7194 29.6034 178.0218 72 G 3.9645 8.1723 107.0005 45.8203 0.0000 173.8252 73 L 4.4438 7.7331 120.1901 54.0035 42.5585 175.3165 74 P 4.7998 0.0000 0.0000 62.6122 33.3069 174.4744 75 L 4.8004 8.6301 122.3773 53.1144 44.9738 174.8798 76 L 5.2903 8.6761 125.8246 52.9226 44.7432 175.2197 77 L 5.0581 9.0493 124.0107 52.6980 44.8455 175.0882 78 L 4.7945 8.7551 126.1479 53.4231 44.2307 176.0995 79 D 4.4802 9.8835 128.6391 55.4484 39.0229 175.1325 80 G 3.9229 8.3736 104.7038 45.4891 0.0000 173.4665 81 E 4.5365 7.7240 120.0189 54.2114 31.2963 175.7028 82 T 4.2614 8.3394 120.4154 63.9982 68.8380 174.4880 83 V 4.1661 7.8000 117.8988 61.0417 33.9051 175.4412 84 M 4.5099 7.4560 116.3860 54.7699 34.7692 173.1221 85 A 4.6925 8.6185 127.0914 52.2817 22.0464 176.4981 86 G 4.1537 10.0208 112.3530 45.4125 0.0000 173.0173 87 R 4.3418 7.0694 113.6191 55.6608 31.9115 173.4970 88 Y 4.3006 8.0800 115.9998 55.8228 39.3261 174.1047 89 P 4.6658 0.0000 0.0000 62.3078 32.6323 176.9479 90 K 4.3384 8.9650 120.4113 55.6960 34.1119 178.2962 91 R 3.9445 8.5847 120.4289 60.0158 29.8509 178.5936 92 A 3.9992 7.8964 119.7224 54.9684 18.3389 179.4148 93 E 3.5902 7.7961 116.8226 59.3353 29.6273 179.0455 94 L 3.7655 7.7490 118.8203 57.8664 41.7277 179.4842 95 A 4.2223 8.4773 120.8715 55.1446 17.9772 179.6002 96 R 3.8675 7.9033 117.0901 59.5191 29.9725 178.8066 97 W 4.3821 7.9044 117.3320 59.3946 29.1270 177.6605 98 F 4.8535 8.2378 114.4301 56.3771 38.9230 175.9040 99 G 3.9116 7.8090 105.3723 46.5805 0.0000 174.2098 100 I 4.0373 7.9823 121.4014 59.7402 37.4301 174.9768 101 P 4.5500 0.0000 0.0000 61.8257 31.9858 176.3815 102 L 4.1897 8.2145 120.5332 54.9356 42.1859 176.9736 103 D 4.6411 8.4151 122.2975 53.7675 41.7102 176.6529 104 K 4.1285 8.3105 122.5091 57.1994 33.0841 177.3312 105 V 3.6759 8.3485 120.2319 63.3116 32.0584 171.1216 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 M 8.30 4.50 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 2 K 8.77 4.27 0.00 1.95 1.75 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.66 1.54 7.81 3 T 9.12 4.94 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 1.25 0.00 0.00 4 L 8.88 5.32 0.00 2.25 1.76 1.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 5 M 9.25 5.33 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 6 V 8.75 4.75 2.22 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 1.34 0.00 0.00 1.27 0.00 0.00 7 F 9.41 5.02 0.00 2.97 2.81 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 8 D 9.61 5.44 0.00 2.86 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 9 P 0.00 4.45 0.00 2.16 2.14 0.00 4.01 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 2.14 2.09 0.00 10 A 8.43 4.03 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 *24 Q 8.13 4.31 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 25 A 8.02 4.05 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 26 L 7.86 3.61 0.00 1.68 1.68 0.98 0.70 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 27 V 7.68 3.54 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 1.06 0.00 0.00 0.93 0.00 0.00 28 D 8.33 4.35 0.00 2.89 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 29 F 8.36 4.19 0.00 2.97 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 30 S 8.22 3.90 0.00 3.87 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 31 T 7.79 3.83 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 1.17 0.00 0.00 32 D 8.14 4.53 0.00 2.79 2.85 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 33 V 7.81 3.37 1.90 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 0.94 0.00 0.00 0.13 0.00 0.00 34 Q 7.97 3.94 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 35 W 8.24 4.27 0.00 3.33 3.43 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 36 L 7.86 3.22 0.00 1.61 1.19 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.19 3.95 0.00 1.82 1.76 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.48 7.81 38 Q 7.89 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 39 S 7.26 4.23 0.00 3.51 3.59 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 40 G 7.50 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 41 V 7.14 3.61 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 -0.05 0.00 0.00 0.31 0.00 0.00 42 Q 8.51 4.29 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 43 I 8.24 5.12 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.94 0.00 0.00 44 E 9.13 4.58 0.00 1.86 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 2.14 2.25 0.00 45 R 8.05 4.93 0.00 1.51 1.96 0.00 3.19 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 46 F 8.92 5.06 0.00 2.46 2.94 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 47 N 8.85 6.04 0.00 2.96 3.04 0.00 0.00 6.76 6.67 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 48 L 8.58 3.87 0.00 1.35 1.55 0.69 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.17 4.22 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 50 Q 8.20 4.59 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.44 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 51 Q 8.56 4.91 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 52 P 0.00 4.46 0.00 2.23 2.52 0.00 3.78 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 2.01 0.00 53 M 8.18 4.29 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 54 S 8.22 4.20 0.00 4.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.41 4.16 0.00 3.22 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 56 V 7.60 4.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.04 0.00 0.00 57 Q 7.95 4.24 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 58 N 7.53 4.54 0.00 2.54 2.27 0.00 0.00 7.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.66 3.96 0.00 1.96 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 0.00 2.36 2.31 0.00 60 K 7.90 3.94 0.00 1.80 1.73 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.42 7.81 61 V 7.95 3.32 1.58 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 0.51 0.00 0.00 -0.74 0.00 0.00 62 K 8.04 3.94 0.00 2.00 1.91 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 63 A 8.10 4.00 1.39 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 64 F 8.35 4.02 0.00 3.11 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 65 I 8.22 3.66 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.27 0.93 0.00 0.00 66 E 7.94 3.87 0.00 2.07 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 2.29 2.30 0.00 67 A 7.77 4.03 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 68 S 8.20 4.13 0.00 2.98 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 69 G 7.44 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 0.00 0.00 0.00 70 A 8.38 4.05 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 71 E 8.20 4.13 0.00 1.94 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 0.00 2.32 2.38 0.00 72 G 8.17 3.96 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 0.00 0.00 0.00 73 L 7.73 4.44 0.00 1.78 1.76 1.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.80 0.00 1.68 1.74 0.00 3.32 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.00 75 L 8.63 4.80 0.00 0.98 1.32 0.30 0.02 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 76 L 8.68 5.29 0.00 1.64 1.56 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.05 5.06 0.00 1.59 1.51 0.88 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.76 4.79 0.00 1.13 1.12 0.61 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 79 D 9.88 4.48 0.00 2.73 2.66 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 80 G 8.37 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 E 7.72 4.54 0.00 1.99 1.74 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 2.33 2.32 0.00 82 T 8.34 4.26 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 1.08 0.00 0.00 83 V 7.80 4.17 1.17 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 0.13 0.00 0.00 -0.20 0.00 0.00 84 M 7.46 4.51 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 85 A 8.62 4.69 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 86 G 10.02 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 87 R 7.07 4.34 0.00 1.89 1.87 0.00 3.05 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 88 Y 8.08 4.30 0.00 2.92 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 1.87 1.77 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 90 K 8.96 4.34 0.00 1.76 1.75 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.43 7.81 91 R 8.58 3.94 0.00 1.90 1.82 0.00 2.77 0.00 0.00 2.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 92 A 7.90 4.00 1.29 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 0.00 0.00 0.00 93 E 7.80 3.59 0.00 1.74 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 2.25 2.26 0.00 94 L 7.75 3.77 0.00 2.08 2.08 1.17 0.99 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 95 A 8.48 4.22 1.53 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 96 R 7.90 3.87 0.00 1.90 2.03 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 97 W 7.90 4.38 0.00 3.03 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.24 4.85 0.00 3.09 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 99 G 7.81 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 0.00 0.00 0.00 100 I 7.98 4.04 2.05 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 1.26 0.68 1.09 0.00 0.00 101 P 0.00 4.55 0.00 2.08 2.01 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 102 L 8.21 4.19 0.00 1.66 1.62 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.42 4.64 0.00 2.68 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 K 8.31 4.13 0.00 1.75 1.74 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.38 7.81 105 V 8.35 3.68 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.