NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 N 4.7426 8.2827 118.2249 52.2660 39.0527 174.6307 26 E 3.7711 8.8632 120.1666 58.8508 29.3501 177.4111 27 S 4.0603 8.3090 112.9415 61.7655 62.7968 175.8933 28 V 3.5774 7.7560 120.1113 65.8457 31.3064 177.9363 29 I 3.8400 7.7681 119.4102 64.4328 36.8782 178.2038 30 E 4.0800 8.7411 119.7719 59.6590 29.2380 179.7074 31 S 4.1801 8.3513 115.2812 61.8873 62.9151 176.2007 32 C 4.3287 8.5784 119.6565 59.7734 39.6253 176.2537 33 S 4.2590 8.3640 115.3546 61.2973 62.6295 175.7972 34 N 4.5892 7.8178 119.1040 55.5715 38.6302 176.9749 35 A 4.2400 8.2242 121.7871 52.9251 18.7703 177.5101 36 V 4.1489 7.3972 118.2764 60.7497 32.6065 174.9210 37 Q 4.1123 8.6698 128.7763 57.9103 29.1130 176.5643 38 G 3.9648 9.0694 113.5605 45.4936 0.0000 173.7738 39 A 4.1690 7.9417 120.8507 53.5496 19.4279 177.7701 40 A 4.4073 7.6964 120.8464 51.3305 17.7845 177.5685 41 N 4.9079 7.4619 120.0389 50.6313 42.6168 173.0342 42 D 4.3005 8.7404 127.9982 57.8306 40.9814 178.7232 43 E 3.8463 7.9712 118.8753 59.0707 29.6469 178.6773 44 L 3.6740 7.5228 118.6605 57.4984 41.7915 179.4202 45 K 3.6701 8.0256 118.6500 58.8084 31.4384 179.6148 46 V 3.4515 7.5416 118.8866 66.2312 31.3524 177.6832 47 H 4.0167 7.3075 114.3127 59.1361 28.2603 177.3781 48 Y 4.0911 7.5187 118.3958 61.2657 37.5003 178.9429 49 R 4.1413 8.0720 117.0574 58.0277 30.1667 177.7046 50 A 4.5163 7.2075 118.9767 50.7230 19.2345 176.2387 51 N 4.0518 7.7203 114.9169 55.0639 36.9800 173.8713 52 E 4.5682 7.7702 114.7413 54.4293 31.5285 175.8611 53 F 4.9859 8.5245 120.7791 54.5265 40.0736 172.8705 54 P 4.4966 0.0000 0.0000 62.6566 32.0516 177.0270 55 D 4.4615 8.3773 121.6077 52.9088 39.7321 175.4502 56 D 4.7327 7.0965 121.7537 49.6689 44.3330 174.5718 57 P 4.0473 0.0000 0.0000 65.5200 31.2613 179.3439 58 V 3.5888 7.7251 116.6553 66.3883 31.6554 178.0446 59 T 4.0839 8.4971 117.2159 66.3005 68.2709 176.0029 60 H 4.0926 8.2783 118.5503 59.5330 28.7328 177.1749 61 C 4.3897 8.0587 117.8242 59.6473 41.1479 176.0096 62 F 3.9719 8.3786 122.6569 61.1867 38.9685 177.2973 63 V 2.9976 8.2777 118.1878 65.7202 31.1528 177.7720 64 R 3.6662 7.7809 118.3588 59.5822 29.8683 177.5039 65 C 4.1289 8.1665 118.2475 59.8390 44.7218 175.6903 66 I 3.4978 7.4125 121.4058 64.0649 36.4884 178.6451 67 G 3.6478 7.9556 106.6169 47.8162 0.0000 175.7862 68 L 4.2691 8.2379 121.8519 57.6758 41.4505 179.5409 69 E 4.0401 8.1290 117.4438 59.0140 29.5179 178.4989 70 L 4.3362 7.8816 115.9065 54.0016 42.0062 176.4453 71 N 4.4544 7.7309 114.7812 54.5124 36.6956 175.1935 72 L 4.4070 8.2703 119.3903 55.9283 42.5496 176.0484 73 Y 5.5502 7.7314 117.4157 56.4411 42.0440 173.0758 74 D 4.5287 7.6945 122.9749 52.3918 44.5733 176.0849 75 D 4.2870 8.5990 125.7580 56.9468 41.2224 177.5541 76 K 3.8600 7.8264 118.3034 58.2118 32.9080 176.6003 77 Y 4.8163 7.3477 113.8704 56.5140 39.1899 176.6115 78 G 3.9325 7.6761 108.7266 46.1862 0.0000 173.3388 79 V 4.5472 8.7050 122.6480 61.7303 32.7429 175.1097 80 D 4.2836 8.4273 127.2188 52.8922 40.1608 176.7041 81 L 4.1814 8.6266 129.2466 57.4624 41.6073 179.3290 82 Q 3.9131 8.0117 119.0755 59.1373 29.1521 177.8223 83 A 3.9676 8.0166 121.2837 55.3442 18.1662 179.2438 84 N 4.4117 8.1131 114.0173 56.0031 39.0457 176.8897 85 W 3.9370 8.4372 130.1240 60.7499 30.5257 177.9568 86 E 4.6129 8.2944 119.4513 58.5484 28.7047 178.1975 87 N 4.5776 7.9180 115.1105 54.8045 39.0837 175.5761 88 L 3.6209 6.8830 118.6117 54.3582 42.3467 176.3729 89 G 3.6249 7.2786 105.6948 46.3218 0.0000 173.7379 90 N 4.7512 7.3946 115.3961 50.9267 41.2850 175.2573 91 S 4.5816 8.4993 113.7786 57.8791 64.0430 173.2308 92 D 4.9001 7.7604 120.6622 51.4183 41.5685 175.4091 93 D 4.4347 8.4493 118.6479 54.0126 41.1819 176.6848 94 A 2.0000 8.2199 126.6734 51.2468 19.0129 177.8602 95 D 4.1333 6.0500 121.2206 54.6310 42.4606 177.8785 96 E 3.8754 8.7295 123.3353 59.7543 29.5153 179.6669 97 E 3.9404 8.0397 116.8186 58.9495 29.9250 178.7625 98 F 4.0264 8.0689 121.4030 61.0868 39.4488 177.0522 99 V 3.5065 7.7862 117.4771 65.9279 31.4142 177.6535 100 A 3.9489 8.1144 120.9115 55.0930 18.1551 179.7173 101 K 3.8283 8.0348 117.3014 60.5120 32.5628 179.1325 102 H 4.0712 7.7799 117.2088 58.2470 28.5245 177.7028 103 R 3.9062 8.2629 120.1659 59.3927 29.9640 178.9210 104 A 3.9240 8.0203 120.1419 55.2047 18.1814 178.6572 105 C 4.1192 8.1215 116.0409 60.0403 41.6149 175.6129 106 L 4.1138 8.3733 120.7900 57.8699 41.3350 179.3346 107 E 4.0103 8.5637 118.6120 59.2923 29.1845 178.9931 108 A 4.1921 7.9588 119.1962 53.9263 18.5536 178.7703 109 K 4.1605 7.8732 115.5093 55.7418 33.3065 176.1104 110 N 4.2431 8.2420 116.4146 53.8334 36.9560 176.0728 111 L 4.0000 7.9700 118.8350 58.1460 42.1766 179.6223 112 E 4.2038 8.2158 115.6008 57.9831 29.4675 177.1962 113 T 4.2818 7.8797 108.5011 61.4817 69.6730 174.7326 114 I 4.1410 7.4675 124.3600 60.2174 37.0985 175.3108 115 E 3.9970 8.7700 127.6375 58.7766 30.0098 177.1606 116 D 4.5155 7.9723 119.0346 53.7535 42.2004 176.6337 117 L 4.0476 8.5849 127.6019 58.0433 41.6458 180.2060 118 C 4.3146 8.2368 116.1664 59.9286 39.9592 175.4589 119 E 3.7153 8.7867 121.2137 59.1178 29.2017 178.8370 120 R 3.8865 8.2929 118.6710 59.3828 30.1128 178.3987 121 A 3.2579 7.9653 120.5619 55.1000 18.4001 178.9900 122 Y 3.8985 8.2003 118.3307 60.7886 38.6211 178.1071 123 S 4.0872 8.3150 113.3069 61.3474 62.8322 175.7328 124 A 4.1507 8.0980 123.4842 55.1330 18.1124 179.3121 125 F 4.0732 8.3612 119.3847 61.5280 39.4075 177.3270 126 Q 3.6751 7.7489 117.3573 58.8232 28.1559 178.1205 127 C 4.3505 7.9061 116.8069 59.0022 35.9493 174.9332 128 L 4.3242 7.5347 120.4525 54.0600 42.0721 178.2602 129 R 3.5693 6.8589 118.8752 59.6626 29.7769 178.1003 130 E 4.0231 8.0342 117.4518 59.4381 29.6031 178.6860 131 D 4.4303 8.1413 118.4631 57.8768 40.8601 178.5312 132 Y 4.3443 7.9785 116.8927 61.0052 37.8483 178.3440 133 E 4.2218 8.4852 119.6921 59.6857 29.3963 178.9771 134 M 4.0726 8.3034 117.5089 58.8041 32.3482 177.3535 135 Y 4.3515 7.9692 118.7033 60.8613 39.1648 177.5640 136 Q 3.9064 8.4713 117.0080 56.3214 28.8653 176.3013 137 N 4.1971 7.6252 116.1136 54.1832 36.5187 173.7192 *153 E 4.1270 8.0276 116.0864 56.4530 31.2270 176.2726 154 L 4.8440 8.4587 122.1064 52.8231 41.2832 176.3058 155 W 4.8951 7.8844 118.9242 57.2259 29.5430 178.3789 156 S 4.3507 9.5157 119.8468 60.0737 63.2903 174.1104 157 H 4.8917 8.3048 119.7224 54.2097 28.3133 172.8946 *158 P 4.3409 0.0000 0.0000 62.3198 31.3657 178.1052 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 25 N 8.28 4.74 0.00 2.91 3.05 0.00 0.00 5.74 6.77 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 26 E 8.86 3.77 0.00 2.17 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 2.42 2.47 0.00 27 S 8.31 4.06 0.00 3.94 3.87 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 28 V 7.76 3.58 2.06 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 0.99 0.00 0.00 0.92 0.00 0.00 29 I 7.77 3.84 2.14 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.18 1.20 0.00 0.00 30 E 8.74 4.08 0.00 2.10 2.05 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 2.65 2.54 0.00 31 S 8.35 4.18 0.00 3.87 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 32 C 8.58 4.33 0.00 2.83 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 33 S 8.36 4.26 0.00 4.35 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 34 N 7.82 4.59 0.00 2.84 2.94 0.00 0.00 6.98 7.78 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 35 A 8.22 4.24 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 V 7.40 4.15 2.31 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 1.02 0.00 0.00 1.02 0.00 0.00 37 Q 8.67 4.11 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 38 G 9.07 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 39 A 7.94 4.17 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 40 A 7.70 4.41 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 41 N 7.46 4.91 0.00 2.92 2.54 0.00 0.00 7.03 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.74 4.30 0.00 2.66 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 43 E 7.97 3.85 0.00 1.95 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 2.31 2.30 0.00 44 L 7.52 3.67 0.00 1.50 0.76 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.03 3.67 0.00 1.72 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.53 7.81 46 V 7.54 3.45 2.06 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 0.85 0.00 0.00 0.84 0.00 0.00 47 H 7.31 4.02 0.00 3.06 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.52 4.09 0.00 3.00 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 49 R 8.07 4.14 0.00 1.79 2.01 0.00 3.24 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 50 A 7.21 4.52 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 51 N 7.72 4.05 0.00 2.93 3.13 0.00 0.00 6.69 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 52 E 7.77 4.57 0.00 2.00 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 53 F 8.52 4.99 0.00 3.28 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 54 P 0.00 4.50 0.00 2.25 1.95 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 55 D 8.38 4.46 0.00 2.82 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 56 D 7.10 4.73 0.00 2.75 2.60 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 57 P 0.00 4.05 0.00 2.13 2.10 0.00 3.51 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 58 V 7.73 3.59 2.24 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 1.29 0.00 0.00 0.98 0.00 0.00 59 T 8.50 4.08 4.53 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 1.54 0.00 0.00 60 H 8.28 4.09 0.00 3.26 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.06 4.39 0.00 3.09 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 62 F 8.38 3.97 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 3.00 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 0.27 0.00 0.00 0.53 0.00 0.00 64 R 7.78 3.67 0.00 1.86 2.04 0.00 3.32 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 65 C 8.17 4.13 0.00 3.00 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 66 I 7.41 3.50 1.50 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.07 0.67 0.00 0.00 67 G 7.96 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.27 0.00 1.86 1.77 0.96 1.42 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 69 E 8.13 4.04 0.00 1.88 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 2.45 2.43 0.00 70 L 7.88 4.34 0.00 1.70 1.71 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.73 4.45 0.00 2.96 3.06 0.00 0.00 6.89 7.92 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 72 L 8.27 4.41 0.00 1.80 1.82 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.73 5.55 0.00 2.95 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 74 D 7.69 4.53 0.00 2.35 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 0.00 0.00 0.00 75 D 8.60 4.29 0.00 2.60 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 76 K 7.83 3.86 0.00 1.29 1.14 0.00 1.43 0.00 0.00 1.06 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.96 7.81 77 Y 7.35 4.82 0.00 2.21 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 78 G 7.68 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 0.00 0.00 0.00 79 V 8.70 4.55 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 1.11 0.00 0.00 1.22 0.00 0.00 80 D 8.43 4.28 0.00 1.58 1.81 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 81 L 8.63 4.18 0.00 1.81 1.87 0.95 0.69 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 82 Q 8.01 3.91 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 83 A 8.02 3.97 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 84 N 8.11 4.41 0.00 2.89 3.04 0.00 0.00 6.98 6.97 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 85 W 8.44 3.94 0.00 3.01 3.12 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 0.00 0.00 0.00 0.00 86 E 8.29 4.61 0.00 2.17 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 2.46 2.39 0.00 87 N 7.92 4.58 0.00 2.92 3.07 0.00 0.00 7.15 7.20 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 88 L 6.88 3.62 0.00 1.16 0.92 0.70 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.28 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.39 4.75 0.00 1.75 2.20 0.00 0.00 6.54 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.50 4.58 0.00 3.92 3.87 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 92 D 7.76 4.90 0.00 2.86 2.80 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 93 D 8.45 4.43 0.00 2.62 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 A 8.22 2.00 0.63 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 0.00 0.00 0.00 95 D 6.05 4.13 0.00 2.36 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 3.88 0.00 1.95 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 2.34 2.30 0.00 97 E 8.04 3.94 0.00 2.15 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 0.00 2.39 2.33 0.00 98 F 8.07 4.03 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.51 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 1.01 0.00 0.00 0.93 0.00 0.00 100 A 8.11 3.95 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 0.00 101 K 8.03 3.83 0.00 1.84 2.03 0.00 1.23 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 0.92 7.81 102 H 7.78 4.07 0.00 3.00 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.26 3.91 0.00 1.98 1.98 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 104 A 8.02 3.92 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 0.00 105 C 8.12 4.12 0.00 2.97 3.26 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 0.00 106 L 8.37 4.11 0.00 1.94 1.85 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.56 4.01 0.00 2.12 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 2.28 2.45 0.00 108 A 7.96 4.19 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 0.00 109 K 7.87 4.16 0.00 1.88 1.90 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.59 7.81 110 N 8.24 4.24 0.00 2.93 2.86 0.00 0.00 6.87 6.03 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 0.00 111 L 7.97 4.00 0.00 1.72 1.77 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.22 4.20 0.00 1.98 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 2.30 2.35 0.00 113 T 7.88 4.28 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 0.00 114 I 7.47 4.14 2.01 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 1.21 0.59 1.01 0.00 0.00 115 E 8.77 4.00 0.00 1.93 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 0.00 2.29 2.30 0.00 116 D 7.97 4.52 0.00 2.84 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 0.00 117 L 8.58 4.05 0.00 1.76 1.76 0.98 0.98 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 0.00 118 C 8.24 4.31 0.00 3.14 3.12 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 0.00 0.00 0.00 0.00 119 E 8.79 3.72 0.00 2.03 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 0.00 2.32 2.28 0.00 120 R 8.29 3.89 0.00 2.06 2.16 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 121 A 7.97 3.26 0.96 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 0.00 122 Y 8.20 3.90 0.00 2.99 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 0.00 123 S 8.31 4.09 0.00 3.99 4.06 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 0.00 124 A 8.10 4.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.36 4.07 0.00 2.79 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 0.00 126 Q 7.75 3.68 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 127 C 7.91 4.35 0.00 3.12 3.15 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 0.00 128 L 7.53 4.32 0.00 1.66 1.76 0.67 0.48 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 0.00 129 R 6.86 3.57 0.00 1.43 1.77 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 130 E 8.03 4.02 0.00 2.10 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 2.40 2.46 0.00 131 D 8.14 4.43 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.98 4.34 0.00 3.31 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 0.00 133 E 8.49 4.22 0.00 2.24 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 2.47 2.68 0.00 134 M 8.30 4.07 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 135 Y 7.97 4.35 0.00 2.90 3.26 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 0.00 136 Q 8.47 3.91 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.33 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 137 N 7.63 4.20 0.00 2.86 2.93 0.00 0.00 6.94 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 *153 E 8.03 4.13 0.00 2.02 1.54 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 2.47 2.43 0.00 154 L 8.46 4.84 0.00 1.53 1.52 0.84 0.73 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 0.00 155 W 7.88 4.90 0.00 3.19 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 0.00 156 S 9.52 4.35 0.00 3.98 4.10 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 0.00 0.00 0.00 0.00 157 H 8.30 4.89 0.00 3.24 3.29 0.00 5.84 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 P 0.00 4.34 0.00 1.90 1.94 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.