NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2230 8.2027 121.7050 55.4924 30.5263 175.4894 5 S 3.5892 8.3087 114.0398 60.3465 61.9670 172.5659 6 E 3.8290 8.0662 121.9548 58.8249 29.6491 177.6981 7 L 3.7182 7.6079 119.0333 58.1983 42.4029 177.9322 8 E 4.3440 8.0587 118.8923 59.8606 29.5981 178.9002 9 F 4.6291 7.8588 117.4555 60.5625 39.0092 177.6428 10 K 3.9371 8.3557 119.5152 59.3806 31.8834 178.8605 11 F 4.6044 8.0486 118.0927 60.6703 38.7701 177.4762 12 A 4.1640 8.2216 119.9456 55.1337 18.2556 178.9973 13 H 4.0919 8.1565 116.8871 59.7794 29.7520 177.1341 14 Y 4.1914 7.6225 116.8123 60.9815 38.0869 178.2490 15 L 4.2451 8.3038 119.8985 58.1288 41.3766 179.6273 16 I 3.8998 8.2042 118.4057 63.8043 37.9439 177.1810 17 N 4.5906 8.2339 116.2204 54.9362 38.3297 176.0521 18 N 4.7280 7.8491 115.9312 52.5376 39.5396 175.2576 19 A 4.1794 7.0677 123.8464 51.7897 19.0260 177.9806 20 V 3.7179 8.4858 122.4614 65.4739 31.9477 176.1770 21 E 4.2563 8.0167 119.4908 54.9906 30.4472 175.4610 22 A 4.4894 8.6713 127.6276 52.5219 19.7037 176.4287 23 S 4.9314 9.4503 118.6133 56.9045 67.3600 173.3038 24 F 5.3810 8.2617 117.2840 56.5103 41.7626 172.2919 25 C 6.0373 9.5418 117.2209 57.3459 30.9857 173.1865 26 L 5.1884 8.6552 122.3871 53.0245 44.6860 177.1962 27 G 4.1472 8.8853 112.2632 44.5621 0.0000 173.7646 28 D 3.9243 8.4381 117.5054 56.3564 41.4396 176.6420 29 N 4.4533 8.0399 115.8591 52.5429 38.7831 175.7284 30 W 3.5841 7.6342 116.7951 57.1835 27.4363 174.0321 31 Q 4.2403 7.2980 117.2632 55.5262 28.6774 175.8055 32 F 4.6947 8.4626 120.2720 57.9792 39.5493 174.8279 33 L 4.7774 8.9111 124.0637 55.7372 44.4503 176.5096 34 Y 4.7217 7.8028 118.2118 56.4795 42.2225 173.9702 35 V 5.0257 7.4649 118.6880 59.5870 35.9195 174.8844 36 N 5.4803 8.6920 121.5241 51.2502 39.3564 175.7431 37 D 4.3559 9.1117 119.0210 57.8221 40.5930 179.1518 38 A 4.0370 8.0062 119.4271 55.4781 18.4533 179.3445 39 T 4.1215 8.0127 113.2798 66.9467 68.7349 176.3412 40 C 4.3852 8.0139 118.1774 62.7372 27.9582 176.3159 41 R 4.0530 7.7294 115.0668 57.7679 29.6107 177.1448 *43 T 4.4806 7.8672 108.5947 60.0625 70.5898 174.9715 44 E 3.8380 8.5330 119.9123 56.9714 27.2908 173.4525 45 Y 4.5450 7.3704 117.2728 56.2877 39.8934 175.7854 46 S 4.3718 8.7532 118.1377 57.8751 65.4477 175.5974 47 R 3.7376 8.3157 121.9613 59.7187 29.6389 178.5131 48 E 3.9844 8.0058 116.7637 59.1752 29.8331 179.0130 49 Q 4.0900 7.9203 118.3128 59.0313 28.6536 178.6440 50 L 3.6401 7.6669 118.5314 57.2201 41.5686 178.6410 51 L 4.4424 7.4262 116.4094 54.5204 42.3544 176.9971 52 S 4.6185 7.6507 113.1690 57.4391 63.2324 173.4303 *54 N 4.3704 7.7419 117.6472 53.7939 40.2073 174.0177 55 L 3.5569 8.0270 124.7413 58.4568 41.7392 179.2742 56 Q 3.6718 7.7606 117.9862 58.1097 28.9076 177.0370 57 D 4.4918 7.8877 118.5309 55.5440 41.2286 176.6136 58 I 4.0692 7.1537 118.8830 62.5546 39.4330 174.8058 59 D 5.0004 8.4277 123.4625 53.2886 39.9099 176.3135 60 V 3.6641 8.3319 127.5617 65.5300 31.7358 176.6420 61 D 4.9361 8.4653 118.1325 53.8935 41.2201 177.9457 62 F 4.0827 8.4072 124.6325 61.5354 39.2749 177.0396 63 A 4.3136 8.0964 120.1355 53.7391 18.5045 178.0818 64 L 4.0916 7.6632 115.7948 56.9874 42.0710 177.5742 65 H 3.9452 6.8309 115.8318 55.3766 29.2532 176.3201 66 D 4.4240 7.6872 123.3109 52.2799 38.4217 176.5431 67 W 4.2476 7.7248 124.0591 59.3631 29.6595 176.8427 68 E 3.9754 8.4023 118.5646 59.6736 29.1241 178.4309 69 E 3.8527 8.3391 118.9163 59.1288 29.4405 178.7485 70 I 3.3802 7.6596 119.9094 64.4475 37.0287 178.4501 71 R 3.1289 8.0419 117.4476 59.3012 29.9574 178.8701 72 Q 4.0471 7.6316 116.1204 58.7622 28.6866 178.7433 73 K 3.9438 7.5114 118.6082 58.4443 32.4143 177.8255 74 N 5.0048 8.6185 117.9965 53.6928 39.8892 173.2995 75 N 5.7452 7.8904 113.6667 51.8285 42.3991 173.4143 76 Y 5.0654 8.8971 123.0611 56.9992 43.0142 173.1719 77 T 4.9686 7.6734 121.5378 61.8052 71.6251 172.9459 78 F 4.6782 7.8333 118.6538 56.2227 41.2336 172.8368 79 K 4.5499 8.6236 118.7862 55.6329 33.4618 175.8113 80 T 4.7894 8.1600 115.9548 61.2767 72.0687 171.8089 81 R 5.0157 8.3799 121.2075 54.7303 32.4962 175.5681 82 Y 5.2650 8.3474 120.9105 56.3297 40.9885 174.4503 83 R 5.2672 8.6410 123.1621 54.7406 32.0846 175.9823 84 S 4.8802 9.2713 121.8077 57.1081 65.0703 175.0170 85 Q 3.5971 8.7141 121.3755 58.3580 28.5353 177.1966 86 S 4.3385 7.9567 109.5223 58.3274 63.1088 174.6647 87 G 3.9421 8.3661 109.0173 45.7768 0.0000 173.8917 88 R 4.2819 8.0161 119.2423 55.9480 31.3101 175.5507 89 I 5.1392 8.5180 124.3079 59.5928 39.1046 174.9751 90 F 5.0909 8.5200 121.2479 55.0011 41.8916 173.5064 91 L 4.6269 8.6526 122.7356 55.2459 43.4837 175.8646 92 V 4.9718 8.7831 118.1688 59.7297 36.6693 173.4641 93 E 5.1120 8.5794 122.0672 53.3677 33.6412 174.3004 *95 S 4.6390 8.3209 115.3922 58.3896 64.5835 173.1973 96 L 5.2014 9.1684 124.8326 53.2029 44.8427 175.6464 97 T 5.0729 8.6641 118.9790 61.8823 71.9752 172.9726 98 F 4.9395 8.9343 125.4085 56.4316 40.4732 175.3367 99 L 4.7729 8.6961 121.6791 53.0112 46.4795 175.2555 100 E 4.9626 8.6134 119.5260 54.5847 32.4829 175.1532 101 D 4.8825 9.1698 123.1339 53.1544 43.9010 175.8320 102 Q 3.2781 8.3217 128.0491 57.6044 27.6630 174.2414 103 E 4.5098 9.0025 123.7612 56.8892 29.6827 175.2008 104 R 4.5565 8.0981 119.5364 54.8733 31.9370 174.6508 105 R 5.0914 8.5193 123.9262 55.2237 31.6197 174.9996 106 F 5.1784 8.7803 120.1652 55.9940 42.2066 172.7253 107 S 4.8561 9.1619 113.4660 56.5831 66.0480 172.7930 108 C 4.8725 8.7180 120.3850 58.8262 29.8633 172.7799 109 V 4.5915 8.1842 123.1229 60.9175 34.1231 173.9448 110 F 5.0881 8.9514 126.6080 55.5931 41.2621 175.1281 111 V 4.6205 8.8837 123.2102 61.2402 33.9502 174.6318 112 R 4.6559 8.7467 127.2002 54.2710 32.4767 175.1141 113 E 4.3807 8.8780 125.3051 56.0761 30.2282 176.4872 114 K 4.2914 8.5211 126.2282 56.5431 31.9355 176.8000 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 Q 8.20 4.22 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 5 S 8.31 3.59 0.00 3.84 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 6 E 8.07 3.83 0.00 2.02 1.86 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 2.34 2.37 0.00 7 L 7.61 3.72 0.00 1.62 1.88 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.06 4.34 0.00 2.07 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 2.52 2.51 0.00 9 F 7.86 4.63 0.00 3.06 2.93 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 10 K 8.36 3.94 0.00 1.84 1.71 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.29 7.81 11 F 8.05 4.60 0.00 3.47 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 12 A 8.22 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.09 0.00 3.24 3.31 0.00 5.79 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 14 Y 7.62 4.19 0.00 3.37 3.05 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 15 L 8.30 4.25 0.00 1.98 1.82 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.20 3.90 1.95 0.00 0.00 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 1.64 1.36 1.16 0.00 0.00 17 N 8.23 4.59 0.00 2.89 3.00 0.00 0.00 6.81 7.02 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 18 N 7.85 4.73 0.00 2.90 2.92 0.00 0.00 6.93 7.22 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 19 A 7.07 4.18 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 20 V 8.49 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 0.82 0.00 0.00 0.96 0.00 0.00 21 E 8.02 4.26 0.00 2.04 1.95 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 2.56 2.57 0.00 22 A 8.67 4.49 1.48 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 0.00 0.00 0.00 23 S 9.45 4.93 0.00 3.77 3.31 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 24 F 8.26 5.38 0.00 3.46 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 25 C 9.54 6.04 0.00 3.01 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 L 8.66 5.19 0.00 1.70 1.61 1.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.89 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 28 D 8.44 3.92 0.00 2.52 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 4.45 0.00 2.79 2.72 0.00 0.00 6.87 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 30 W 7.63 3.58 0.00 3.53 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 31 Q 7.30 4.24 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 32 F 8.46 4.69 0.00 3.18 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 33 L 8.91 4.78 0.00 1.52 1.67 0.86 0.68 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 34 Y 7.80 4.72 0.00 3.00 2.77 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 0.00 0.00 0.00 0.00 35 V 7.46 5.03 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 0.56 0.00 0.00 0.70 0.00 0.00 36 N 8.69 5.48 0.00 3.10 3.11 0.00 0.00 6.86 8.09 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 37 D 9.11 4.36 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 38 A 8.01 4.04 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 39 T 8.01 4.12 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 1.13 0.00 0.00 40 C 8.01 4.39 0.00 3.08 3.07 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 41 R 7.73 4.05 0.00 1.80 2.10 0.00 3.29 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 *43 T 7.87 4.48 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 44 E 8.53 3.84 0.00 2.03 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 2.28 2.25 0.00 45 Y 7.37 4.55 0.00 2.83 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 46 S 8.75 4.37 0.00 4.04 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 47 R 8.32 3.74 0.00 1.80 1.89 0.00 3.08 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 48 E 8.01 3.98 0.00 1.95 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 2.28 2.32 0.00 49 Q 7.92 4.09 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 50 L 7.67 3.64 0.00 1.42 1.00 0.68 -0.01 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 51 L 7.43 4.44 0.00 1.60 1.66 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.65 4.62 0.00 3.93 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 *54 N 7.74 4.37 0.00 2.65 2.57 0.00 0.00 6.66 6.66 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 55 L 8.03 3.56 0.00 1.55 1.53 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.76 3.67 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 57 D 7.89 4.49 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.15 4.07 1.53 0.00 0.00 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 1.21 1.09 0.36 0.00 0.00 59 D 8.43 5.00 0.00 2.83 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 60 V 8.33 3.66 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 0.85 0.00 0.00 1.01 0.00 0.00 61 D 8.47 4.94 0.00 2.83 2.62 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 62 F 8.41 4.08 0.00 3.30 3.11 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 0.00 0.00 0.00 63 A 8.10 4.31 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 L 7.66 4.09 0.00 1.72 1.62 0.90 1.36 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 65 H 6.83 3.95 0.00 1.40 1.73 0.00 5.65 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 66 D 7.69 4.42 0.00 2.52 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 0.00 0.00 0.00 0.00 67 W 7.72 4.25 0.00 3.42 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.98 0.00 2.12 2.12 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 2.37 2.44 0.00 69 E 8.34 3.85 0.00 1.98 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 1.97 2.15 0.00 70 I 7.66 3.38 2.34 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.91 1.45 0.00 0.00 71 R 8.04 3.13 0.00 1.81 1.65 0.00 3.34 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 1.34 2.04 0.00 72 Q 7.63 4.05 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 73 K 7.51 3.94 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 0.90 7.81 74 N 8.62 5.00 0.00 2.97 3.04 0.00 0.00 6.99 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 75 N 7.89 5.75 0.00 2.69 2.75 0.00 0.00 6.64 7.46 0.00 0.00 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 Y 8.90 5.07 0.00 3.17 3.01 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 77 T 7.67 4.97 4.11 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 0.00 0.00 1.09 0.00 0.00 78 F 7.83 4.68 0.00 2.90 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 79 K 8.62 4.55 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.34 7.81 80 T 8.16 4.79 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 1.40 0.00 0.00 81 R 8.38 5.02 0.00 1.66 1.78 0.00 3.16 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 82 Y 8.35 5.27 0.00 1.72 2.37 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 83 R 8.64 5.27 0.00 1.81 1.84 0.00 3.30 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 84 S 9.27 4.88 0.00 4.20 4.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 3.60 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.18 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 86 S 7.96 4.34 0.00 4.01 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 87 G 8.37 3.94 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 0.00 0.00 0.00 88 R 8.02 4.28 0.00 2.06 2.04 0.00 3.07 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 89 I 8.52 5.14 1.94 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 1.47 0.89 0.93 0.00 0.00 90 F 8.52 5.09 0.00 3.07 3.08 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 0.00 0.00 0.00 91 L 8.65 4.63 0.00 1.82 1.60 0.97 0.88 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 92 V 8.78 4.97 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 0.54 0.00 0.00 0.07 0.00 0.00 93 E 8.58 5.11 0.00 1.91 1.71 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 2.07 1.95 0.00 *95 S 8.32 4.64 0.00 3.93 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 96 L 9.17 5.20 0.00 1.75 1.33 1.26 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.66 5.07 4.23 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 1.32 0.00 0.00 98 F 8.93 4.94 0.00 2.93 2.92 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 99 L 8.70 4.77 0.00 0.27 1.11 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.61 4.96 0.00 1.89 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 2.22 2.25 0.00 101 D 9.17 4.88 0.00 2.94 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 0.00 102 Q 8.32 3.28 0.00 2.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.20 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 103 E 9.00 4.51 0.00 2.07 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 2.22 2.32 0.00 104 R 8.10 4.56 0.00 2.01 1.97 0.00 3.15 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 105 R 8.52 5.09 0.00 1.82 1.80 0.00 3.42 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 106 F 8.78 5.18 0.00 3.25 3.03 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 0.00 0.00 0.00 107 S 9.16 4.86 0.00 3.28 2.91 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 0.00 108 C 8.72 4.87 0.00 2.84 2.74 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 0.00 109 V 8.18 4.59 0.67 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 0.69 0.00 0.00 0.85 0.00 0.00 110 F 8.95 5.09 0.00 2.87 3.06 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 0.00 111 V 8.88 4.62 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 0.78 0.00 0.00 1.15 0.00 0.00 112 R 8.75 4.66 0.00 1.77 1.81 0.00 3.16 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 113 E 8.88 4.38 0.00 2.01 1.88 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 2.29 2.48 0.00 114 K 8.52 4.29 0.00 1.81 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.