NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6880 8.3644 120.3212 52.4231 42.0234 175.5004 5 V 4.1270 7.7709 114.3306 62.4702 35.3853 176.3401 6 L 4.1510 9.0496 120.7928 57.6212 42.3563 178.8584 7 K 3.9641 7.9437 117.1376 59.6683 31.9764 179.0994 8 N 4.3987 8.1454 116.0947 56.3418 38.4722 177.4081 9 I 3.7871 7.7686 120.5121 64.2361 37.1495 178.2261 10 A 4.0138 8.6396 121.8697 55.4839 18.2145 179.3245 11 D 4.3457 8.5125 117.6838 58.0151 40.9581 179.3706 12 T 3.9481 8.1445 116.2178 66.4045 68.1803 176.8857 13 L 4.1313 7.9648 120.3013 58.0664 42.1919 179.0734 14 E 4.0282 8.6180 118.6293 59.1167 29.0822 179.2127 15 A 4.0477 8.0250 120.4520 54.9879 18.5488 179.1675 16 R 4.4486 7.5050 111.4122 56.3914 30.0298 177.7884 17 R 3.5428 7.4163 120.5769 59.1890 30.8779 177.2753 18 E 4.6171 7.9119 114.1592 55.3644 30.0521 174.4801 19 A 4.5694 7.4764 121.8217 50.5680 22.1285 176.7542 20 A 4.2272 8.2753 118.6992 51.4815 19.1016 177.2806 21 P 4.2428 0.0000 0.0000 65.4906 31.4807 177.5698 22 Q 4.3228 7.8572 114.2411 56.3607 29.5074 176.5081 23 S 4.2232 7.8661 113.3199 60.8805 62.6284 173.6438 24 S 4.6210 7.4900 111.2647 56.2745 65.6071 173.7323 25 Y 4.1456 8.7850 121.0241 60.9007 38.5724 177.4836 26 V 3.1350 7.9444 118.4538 65.8356 31.5149 177.6904 27 A 4.2077 7.9447 120.3496 55.0812 18.3575 179.5663 28 S 4.1920 7.8743 112.4519 61.4617 62.9592 176.6782 29 L 3.7740 7.5988 122.4604 57.6597 41.1491 179.2445 30 F 4.5473 7.4614 116.1783 61.3363 38.9719 177.1089 31 H 4.4473 8.2532 116.7296 59.1388 29.7278 177.2169 32 K 4.1317 7.9428 119.9094 58.9908 32.2216 175.7711 33 G 3.7534 8.2240 103.7648 43.6327 0.0000 174.0823 34 E 3.1305 8.8413 118.5068 59.2753 29.2388 178.1872 35 D 4.2957 8.0546 117.8560 57.6334 40.6012 178.7569 36 A 3.9562 7.9293 120.2945 55.1998 18.2746 179.6557 37 I 3.6903 7.3152 118.2722 64.4541 37.2073 178.5989 38 L 4.0100 8.1113 120.1210 57.4523 41.2712 179.6682 39 K 3.9129 8.3123 118.9630 59.4147 31.9799 179.2036 40 K 3.8642 7.6313 118.4710 59.3544 32.0640 178.8933 41 V 3.5714 7.8200 118.3110 66.0087 31.4680 177.8662 42 A 3.9716 8.1026 120.4421 55.0036 18.1936 179.0169 43 E 3.8624 8.4222 118.0948 59.7993 29.7744 179.1233 44 E 3.9884 8.4650 118.2121 59.1309 29.4665 179.3168 45 A 4.0338 8.0084 121.0014 55.0259 18.2186 179.5687 46 A 3.9674 7.9614 118.4734 55.2699 18.5485 179.2452 47 E 4.0351 8.2113 116.9727 59.5363 29.9675 178.8587 48 T 4.0624 7.9122 116.1127 66.3450 68.4527 176.6846 49 L 3.9454 7.5220 115.9834 55.8235 41.0896 178.5970 *51 A 4.2975 7.8810 124.2962 52.3587 20.8047 179.7052 52 S 4.0794 8.1995 110.3000 61.3628 62.6879 176.2882 53 K 3.9316 8.0449 120.0735 59.6263 31.8955 177.1559 54 D 4.5344 8.0810 114.8328 54.0317 40.8632 176.2245 55 K 3.8660 7.7735 116.9362 57.3940 30.7162 176.9388 56 D 4.6530 7.5510 120.1140 52.8540 37.6676 176.1799 57 K 3.8288 8.1403 123.2876 59.4083 32.3879 178.3372 58 L 4.0127 7.8096 118.5963 57.9034 41.6540 178.7016 59 H 4.2808 8.4193 117.8341 58.6995 29.7184 177.0103 60 L 3.8457 8.0326 122.5209 58.2700 41.9563 179.1921 61 V 3.5199 7.4097 117.8592 66.0123 31.4230 178.1749 62 R 3.8672 7.7543 117.5467 59.1474 29.8899 178.9920 63 E 3.8925 8.2661 118.5108 59.4151 29.4843 179.3014 64 V 3.6428 8.1091 118.4623 66.0444 31.3876 177.9840 65 A 3.7292 7.8473 120.4332 55.0828 18.1991 179.1373 66 D 4.5028 8.1172 116.6046 57.1780 41.1459 178.2607 67 L 4.0695 8.5359 121.3970 58.0525 42.0200 178.7294 68 W 4.3932 8.5940 118.0683 59.8974 29.1460 177.8750 69 F 4.4313 8.7111 119.5980 62.0401 39.1537 176.8699 70 H 4.2130 8.7589 115.3114 58.5002 28.2748 177.9511 71 T 4.2241 7.9150 115.8244 64.2202 67.9981 176.1960 *73 V 3.8349 7.7387 123.1243 62.8642 33.6225 177.2632 74 L 3.9470 8.0435 120.9784 58.2029 41.8711 178.6751 75 L 4.0591 8.1755 119.2114 58.5286 41.6639 179.8613 76 T 4.0732 8.0009 114.8080 66.8187 68.1907 175.9276 77 Y 4.0539 8.1225 120.7262 60.1850 38.7737 176.5857 78 H 4.8622 7.8467 115.0884 54.7798 29.2983 175.1470 79 G 3.8813 7.6618 107.3717 46.5127 0.0000 173.7950 80 L 4.8828 7.8312 120.6529 53.0679 44.7256 175.5846 81 R 4.5950 8.9912 113.1714 54.2885 32.3939 174.5104 82 P 4.0992 0.0000 0.0000 65.9192 31.1807 178.2126 83 E 3.9310 8.2740 115.4330 59.7400 29.3491 178.8469 84 D 4.5000 8.1051 118.0999 57.4876 41.1763 178.8227 85 V 3.7200 7.5532 118.0476 65.7929 31.4912 178.3961 86 V 3.8029 7.7969 114.3598 63.9690 30.4966 176.8554 *88 E 4.2048 8.1323 120.0801 55.7717 31.1476 177.8695 89 L 4.0351 8.0544 118.9140 57.9388 42.0031 178.8596 90 H 4.2829 8.4520 117.7533 59.1483 29.9373 176.2744 91 R 3.9283 8.0444 117.9614 59.1817 30.0560 176.8072 92 R 3.8550 7.2607 115.4977 57.9899 29.6882 176.5942 93 E 3.9692 6.5752 124.7532 58.7142 30.1777 177.6379 94 G 4.0470 8.7973 112.3424 45.6588 0.0000 172.4213 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.77 4.13 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 1.04 0.00 0.00 0.96 0.00 0.00 6 L 9.05 4.15 0.00 1.79 1.78 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.94 3.96 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.77 7.81 8 N 8.15 4.40 0.00 2.90 2.90 0.00 0.00 7.12 7.37 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 9 I 7.77 3.79 2.16 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 1.17 0.00 0.00 10 A 8.64 4.01 1.41 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 0.00 0.00 0.00 11 D 8.51 4.35 0.00 2.86 2.76 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 12 T 8.14 3.95 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 13 L 7.96 4.13 0.00 1.88 1.93 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.62 4.03 0.00 2.12 1.97 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 2.30 2.53 0.00 15 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 16 R 7.50 4.45 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 17 R 7.42 3.54 0.00 1.62 1.95 0.00 2.21 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 18 E 7.91 4.62 0.00 1.89 1.83 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 2.11 2.11 0.00 19 A 7.48 4.57 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 20 A 8.28 4.23 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 21 P 0.00 4.24 0.00 1.98 1.99 0.00 3.63 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 1.83 1.87 0.00 22 Q 7.86 4.32 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 23 S 7.87 4.22 0.00 3.83 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 0.00 24 S 7.49 4.62 0.00 3.91 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 25 Y 8.78 4.15 0.00 3.10 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 26 V 7.94 3.13 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 0.78 0.00 0.00 1.17 0.00 0.00 27 A 7.94 4.21 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 28 S 7.87 4.19 0.00 4.12 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 0.00 29 L 7.60 3.77 0.00 1.36 1.30 0.53 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.46 4.55 0.00 3.27 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 31 H 8.25 4.45 0.00 3.29 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.94 4.13 0.00 1.91 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 33 G 8.22 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 0.00 0.00 0.00 34 E 8.84 3.13 0.00 1.85 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 2.26 2.23 0.00 35 D 8.05 4.30 0.00 2.76 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 36 A 7.93 3.96 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 37 I 7.32 3.69 1.80 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 1.28 0.53 0.80 0.00 0.00 38 L 8.11 4.01 0.00 1.77 1.69 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.31 3.91 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.62 7.81 40 K 7.63 3.86 0.00 2.02 1.77 0.00 1.59 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.15 1.20 7.81 41 V 7.82 3.57 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 0.98 0.00 0.00 0.97 0.00 0.00 42 A 8.10 3.97 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 43 E 8.42 3.86 0.00 2.13 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 2.31 2.36 0.00 44 E 8.47 3.99 0.00 2.06 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 0.00 2.59 2.55 0.00 45 A 8.01 4.03 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 46 A 7.96 3.97 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 47 E 8.21 4.04 0.00 2.11 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 2.37 2.39 0.00 48 T 7.91 4.06 4.47 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 1.23 0.00 0.00 49 L 7.52 3.95 0.00 1.92 1.69 0.94 0.89 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 *51 A 7.88 4.30 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 52 S 8.20 4.08 0.00 3.96 4.07 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 53 K 8.04 3.93 0.00 1.95 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.53 0.00 2.72 2.69 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 55 K 7.77 3.87 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.55 4.65 0.00 2.66 2.59 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 57 K 8.14 3.83 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.75 7.81 58 L 7.81 4.01 0.00 1.72 1.70 0.91 1.01 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 59 H 8.42 4.28 0.00 3.43 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.03 3.85 0.00 1.78 1.81 0.90 0.69 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 61 V 7.41 3.52 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 0.86 0.00 0.00 0.89 0.00 0.00 62 R 7.75 3.87 0.00 1.95 1.92 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 63 E 8.27 3.89 0.00 1.99 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 2.18 2.23 0.00 64 V 8.11 3.64 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 0.66 0.00 0.00 0.94 0.00 0.00 65 A 7.85 3.73 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 66 D 8.12 4.50 0.00 3.01 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 67 L 8.54 4.07 0.00 1.94 1.97 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.59 4.39 0.00 3.41 3.41 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 0.00 69 F 8.71 4.43 0.00 3.06 3.38 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 70 H 8.76 4.21 0.00 3.37 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.91 4.22 4.50 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 1.16 0.00 0.00 *73 V 7.74 3.83 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 0.41 0.00 0.00 0.19 0.00 0.00 74 L 8.04 3.95 0.00 1.88 1.90 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.18 4.06 0.00 1.72 1.74 0.88 0.83 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 76 T 8.00 4.07 4.63 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 1.19 0.00 0.00 77 Y 8.12 4.05 0.00 3.28 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 78 H 7.85 4.86 0.00 3.37 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.66 3.88 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 0.00 0.00 0.00 80 L 7.83 4.88 0.00 1.71 1.75 0.93 0.65 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 81 R 8.99 4.60 0.00 1.95 1.97 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 82 P 0.00 4.10 0.00 2.19 2.14 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 83 E 8.27 3.93 0.00 1.91 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 2.33 2.50 0.00 84 D 8.11 4.50 0.00 2.73 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 85 V 7.55 3.72 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 0.92 0.00 0.00 0.85 0.00 0.00 86 V 7.80 3.80 2.19 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 1.01 0.00 0.00 0.92 0.00 0.00 *88 E 8.13 4.20 0.00 2.16 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 2.24 2.37 0.00 89 L 8.05 4.04 0.00 2.02 1.69 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.45 4.28 0.00 3.07 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.04 3.93 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 92 R 7.26 3.85 0.00 2.04 1.75 0.00 3.20 0.00 0.00 3.22 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 93 E 6.58 3.97 0.00 2.00 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 94 G 8.80 4.05 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.