NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.2425 8.1300 115.1948 56.4707 39.9346 176.8354 13 V 3.4261 8.1323 122.5994 66.8811 31.0791 175.2702 14 A 4.0289 8.7500 119.9608 55.2296 18.8687 178.5227 15 E 4.0965 8.2104 116.5861 59.6426 29.6169 179.4653 16 L 4.0394 8.2918 119.0990 57.8176 41.6400 179.2582 17 N 4.3645 8.3210 116.5805 56.2040 38.2703 176.3804 18 N 4.6120 7.7869 116.5032 54.9506 39.3407 175.6436 19 L 4.5541 7.7455 119.0296 53.8855 42.4734 176.0408 20 L 4.2401 7.0729 119.5563 56.3742 41.9892 177.9976 21 G 3.9669 9.3816 110.5441 45.5534 0.0000 173.3299 22 R 4.7152 7.8272 118.6119 54.0643 33.5087 174.8439 23 E 4.7848 8.5815 121.7739 56.3668 30.6940 175.8237 24 V 4.6477 8.9129 118.5822 60.1314 37.2289 173.3649 25 Q 5.1398 8.7732 122.0790 54.4553 32.5725 174.4358 26 V 4.7710 8.8762 124.5330 61.2574 34.8346 174.1629 27 V 4.4321 8.4383 129.0821 62.0104 32.8164 175.0150 28 L 5.3205 8.7079 128.0443 53.1414 44.0616 177.6689 29 S 4.4235 9.0067 115.2616 59.6816 63.2079 174.5445 30 N 4.6582 8.1423 117.8601 52.9356 37.5950 175.6287 31 G 4.0389 8.0587 108.3737 45.4139 0.0000 174.1916 32 E 4.2567 8.4158 119.2058 56.3778 31.3079 176.2727 33 V 4.8150 7.9645 120.6715 61.5966 34.9897 173.3986 34 Y 5.0225 8.9482 125.4934 55.9810 40.9072 174.5896 35 K 4.9625 8.7555 124.8492 54.5423 35.5637 175.4967 36 G 4.1250 8.2180 112.0705 46.1944 0.0000 171.4749 37 V 4.3134 8.0007 120.7294 62.1544 32.8199 175.4219 38 L 4.3215 9.2262 131.0189 55.9868 42.0573 176.3308 39 H 4.5999 9.2220 127.7670 58.1383 30.9661 175.1318 40 A 4.8442 7.6429 117.3884 50.7970 22.5349 175.6512 41 V 5.0366 8.2965 119.3726 60.2623 34.7253 174.0498 42 D 5.0702 8.4728 122.5712 51.0339 42.0763 176.4485 43 N 4.2822 8.6500 115.4290 56.1355 38.4081 176.1762 44 Q 3.9408 8.0432 114.4876 55.2901 29.1473 175.4907 45 L 3.7659 8.0551 117.3731 55.7333 39.4867 174.3977 46 N 4.9099 8.6338 115.7592 53.4209 39.9799 174.4759 47 I 5.0292 8.6027 121.8431 59.5337 41.5401 174.5636 48 V 4.6861 8.9174 125.5494 61.1352 34.1437 174.0296 49 L 5.1804 8.7724 128.0097 53.0067 44.1792 175.2896 50 A 4.8899 9.1788 125.0669 50.6054 21.5945 176.1495 51 N 4.0996 8.0346 116.8455 54.3661 36.7613 173.3181 52 A 5.2350 8.0967 120.5846 50.8488 22.8194 177.4163 53 S 5.7852 9.2038 112.3884 57.7292 67.1117 173.7927 54 N 5.3391 8.2718 118.9239 50.4665 39.8160 175.3500 55 K 3.8501 8.4574 116.7965 59.7120 32.1378 177.9886 56 A 4.1700 7.9592 118.7383 52.1787 18.1801 178.2740 57 G 3.9476 8.0245 105.2167 45.7499 0.0000 174.6073 58 E 3.9449 8.0660 120.1554 56.3019 30.0546 175.8508 59 K 5.0959 7.7672 120.8632 54.6347 35.4243 175.5570 60 F 4.8783 9.2052 121.5493 55.7737 43.0839 175.4967 61 N 4.4549 9.0904 121.0385 56.3752 40.0895 174.9285 62 R 4.9085 7.8252 115.5386 54.2836 34.4177 174.9095 63 V 3.9824 8.4461 123.1011 60.9500 34.4517 174.0664 64 F 4.9209 8.7286 126.8852 56.4719 40.0409 174.8520 65 I 4.4533 8.4608 130.5693 60.3887 39.9859 176.2600 *67 Y 4.7232 8.5129 119.3345 58.0159 39.6493 176.9117 68 R 3.9854 7.0518 113.9998 57.4209 29.8756 176.2223 69 Y 4.3148 7.7584 115.7051 57.7997 38.7571 174.5062 70 I 4.3816 7.5458 122.0578 61.0636 37.3498 175.8235 71 V 4.1222 8.8784 128.6578 65.1088 31.8436 175.4446 72 H 5.0743 7.7937 113.6036 54.5351 32.1446 171.4021 73 I 5.0463 8.2559 119.2132 59.6597 40.0074 174.7761 74 D 5.0783 9.0272 126.1775 52.4711 44.3048 175.0084 75 S 4.9411 8.5578 115.8661 56.6556 65.3268 173.5425 76 T 4.4288 8.6588 114.8601 61.4174 69.0580 173.8001 77 E 4.5785 7.6639 121.1752 55.4207 31.4528 176.0451 78 R 3.8947 8.3069 118.4694 57.8009 30.9179 178.7107 79 R 3.3103 7.6397 110.6246 56.9363 26.9111 175.3560 80 I 4.0815 8.0912 120.4583 60.0205 39.0182 174.5836 81 D 5.0306 8.5291 122.1454 52.4752 44.4227 175.9959 *83 R 3.9137 8.3182 116.7533 56.1962 32.0721 178.1361 84 E 4.1100 8.2565 117.1843 59.0962 29.2344 179.1469 85 F 3.7744 8.1910 120.4428 60.6875 39.3524 176.9031 86 A 3.9181 7.9460 120.0604 55.2303 18.0464 179.6191 87 K 3.9016 7.7380 115.6376 59.6069 32.4898 179.4219 88 Q 4.0485 7.8599 117.8969 58.8055 28.6753 178.3887 89 A 3.8727 8.0814 122.4867 55.1652 18.2461 179.2963 90 E 4.2207 8.4720 117.7907 59.0530 29.3972 178.9840 91 K 4.0654 7.7305 117.2341 58.5477 32.2224 178.5058 92 I 3.8515 7.3343 118.6300 61.7991 38.8602 176.0060 93 F 4.9244 8.1873 116.5713 54.5838 39.0827 173.6743 94 P 4.5899 0.0000 0.0000 63.9104 31.9317 176.8126 95 G 3.5167 9.0732 110.6078 46.2543 0.0000 173.6716 *97 V 4.2110 7.3899 116.2059 62.6145 33.1198 175.2653 98 K 4.7071 8.6942 125.4087 54.9540 36.4811 174.4724 99 Y 4.8244 8.7931 125.9532 56.6423 40.2760 174.5407 100 I 4.1414 8.4984 128.8577 59.2883 37.8968 176.3368 101 E 3.8824 8.6136 126.7441 59.1731 29.8678 179.0675 102 E 4.2041 8.2318 118.2096 58.7055 29.4884 177.6167 103 T 4.3817 6.9095 105.0411 60.1358 70.0020 172.7864 104 N 4.0711 8.0446 119.3151 55.2146 37.2893 173.0395 105 V 4.6927 6.9747 108.5036 59.4948 37.2554 175.4609 106 V 4.8112 8.4580 121.3868 61.3330 33.9034 174.2104 107 L 4.7411 8.9305 129.1829 53.8622 43.3335 175.8166 108 I 3.9926 8.5861 125.8232 60.5598 38.5732 176.1800 109 G 3.8263 8.4799 118.6229 45.3906 0.0000 171.6353 110 D 4.7135 8.5597 118.3745 54.2981 41.8880 177.6987 111 K 4.5704 7.8253 114.1827 56.2366 34.5635 175.5802 112 V 4.7541 7.4446 119.7132 60.9029 34.6364 174.5452 113 R 4.9947 8.7713 123.1562 54.5930 33.2387 173.7812 114 V 4.5615 8.8433 123.3541 61.1810 34.1221 174.7577 115 S 5.0028 8.0702 123.2300 56.4781 65.7605 174.4978 116 E 4.1871 8.9245 118.2213 59.4366 29.2358 177.9747 117 I 4.1227 7.3948 109.8975 60.2651 38.4622 174.0459 118 G 2.6413 6.7639 107.2945 43.7599 0.0000 173.1521 119 V 4.1240 7.6028 118.5962 62.0806 32.5520 175.7838 120 E 4.5106 9.4836 125.0839 53.7375 32.4783 175.0879 121 G 4.5277 7.8384 108.8730 43.3593 0.0000 172.2486 122 V 4.3176 7.9157 113.3704 59.7596 35.0110 176.0836 123 G 3.9148 8.5078 107.4021 44.3060 0.0000 172.3652 124 P 4.2442 0.0000 0.0000 65.7845 31.0331 179.0822 125 V 3.7792 7.8286 116.1859 65.9565 31.4683 177.7866 126 A 3.9685 7.9257 120.0943 55.2073 18.3899 179.3508 127 E 3.9734 8.5672 117.4643 59.4716 29.5346 179.5242 128 R 4.0047 8.7437 119.0985 59.3654 30.1745 178.4549 129 A 4.3878 8.5586 121.0427 55.1833 18.3749 179.7887 130 K 4.1091 8.4418 117.1599 59.6084 32.1129 179.7772 131 R 4.0066 8.0810 118.1850 59.1647 29.9810 178.7311 132 L 4.3057 8.0778 121.3857 57.8390 42.2939 178.8840 133 F 4.3820 9.1087 120.8498 61.2894 39.0071 177.0162 134 E 3.9823 8.3966 117.7677 59.4823 29.7106 178.7836 135 E 4.1310 8.3466 118.6963 59.0937 29.2360 179.0708 136 F 4.3729 8.3177 120.1638 61.4134 39.6754 176.9890 137 L 3.5410 7.3699 114.9969 55.0815 41.5418 177.4976 138 K 4.1534 7.8420 124.2706 56.8986 32.8471 174.5348 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 12 F 8.13 5.24 0.00 3.20 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 13 V 8.13 3.43 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 1.06 0.00 0.00 0.92 0.00 0.00 14 A 8.75 4.03 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 15 E 8.21 4.10 0.00 2.26 2.02 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 0.00 2.43 2.50 0.00 16 L 8.29 4.04 0.00 1.79 1.78 1.12 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.32 4.36 0.00 3.10 2.89 0.00 0.00 6.61 6.54 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 18 N 7.79 4.61 0.00 2.76 3.02 0.00 0.00 7.13 7.66 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 19 L 7.75 4.55 0.00 1.89 1.65 0.90 0.41 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 20 L 7.07 4.24 0.00 1.72 1.62 0.93 1.32 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 21 G 9.38 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 0.00 0.00 0.00 22 R 7.83 4.72 0.00 1.84 1.97 0.00 3.30 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 23 E 8.58 4.78 0.00 1.99 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 2.29 2.48 0.00 24 V 8.91 4.65 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 0.66 0.00 0.00 1.00 0.00 0.00 25 Q 8.77 5.14 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 8.88 4.77 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 0.94 0.00 0.00 0.97 0.00 0.00 27 V 8.44 4.43 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 0.96 0.00 0.00 0.80 0.00 0.00 28 L 8.71 5.32 0.00 1.92 1.65 1.02 0.66 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 29 S 9.01 4.42 0.00 4.05 4.04 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 30 N 8.14 4.66 0.00 2.86 2.98 0.00 0.00 6.41 7.00 0.00 0.00 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 G 8.06 4.04 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 0.00 32 E 8.42 4.26 0.00 2.19 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 2.35 2.42 0.00 33 V 7.96 4.81 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 1.00 0.00 0.00 0.97 0.00 0.00 34 Y 8.95 5.02 0.00 2.96 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 35 K 8.76 4.96 0.00 1.81 1.62 0.00 1.71 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.33 1.49 7.81 36 G 8.22 4.12 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 0.00 0.00 0.00 37 V 8.00 4.31 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 0.72 0.00 0.00 0.94 0.00 0.00 38 L 9.23 4.32 0.00 1.89 1.58 0.95 0.83 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 39 H 9.22 4.60 0.00 3.12 3.45 0.00 6.03 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.64 4.84 1.22 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 0.00 0.00 0.00 41 V 8.30 5.04 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 0.84 0.00 0.00 1.00 0.00 0.00 42 D 8.47 5.07 0.00 2.83 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 43 N 8.65 4.28 0.00 2.68 2.86 0.00 0.00 6.82 7.69 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 44 Q 8.04 3.94 0.00 2.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.61 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 45 L 8.06 3.77 0.00 1.70 1.89 0.95 0.55 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 46 N 8.63 4.91 0.00 3.06 2.85 0.00 0.00 6.82 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 47 I 8.60 5.03 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.93 0.00 0.00 48 V 8.92 4.69 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 0.89 0.00 0.00 1.12 0.00 0.00 49 L 8.77 5.18 0.00 1.51 1.53 0.99 0.75 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 50 A 9.18 4.89 1.14 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 0.00 0.00 51 N 8.03 4.10 0.00 2.85 2.83 0.00 0.00 6.82 7.50 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 52 A 8.10 5.23 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 53 S 9.20 5.79 0.00 3.91 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 54 N 8.27 5.34 0.00 2.43 1.88 0.00 0.00 6.75 6.49 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 55 K 8.46 3.85 0.00 1.69 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 A 7.96 4.17 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 57 G 8.02 3.95 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 0.00 0.00 0.00 58 E 8.07 3.94 0.00 2.28 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 2.29 2.28 0.00 59 K 7.77 5.10 0.00 1.40 1.55 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.51 7.81 60 F 9.21 4.88 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 61 N 9.09 4.45 0.00 2.80 2.84 0.00 0.00 6.89 7.65 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 62 R 7.83 4.91 0.00 1.55 0.89 0.00 3.02 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 63 V 8.45 3.98 1.78 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 0.41 0.00 0.00 0.58 0.00 0.00 64 F 8.73 4.92 0.00 2.89 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 65 I 8.46 4.45 1.88 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 1.08 0.65 0.94 0.00 0.00 *67 Y 8.51 4.72 0.00 3.31 3.50 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 0.00 68 R 7.05 3.99 0.00 1.51 1.63 0.00 2.85 0.00 0.00 2.94 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.26 0.00 69 Y 7.76 4.31 0.00 3.12 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 70 I 7.55 4.38 2.09 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 1.21 0.60 1.02 0.00 0.00 71 V 8.88 4.12 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 0.87 0.00 0.00 1.00 0.00 0.00 72 H 7.79 5.07 0.00 3.18 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.26 5.05 1.77 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.93 0.00 0.00 74 D 9.03 5.08 0.00 2.58 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 75 S 8.56 4.94 0.00 3.79 3.63 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 76 T 8.66 4.43 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 1.20 0.00 0.00 77 E 7.66 4.58 0.00 1.97 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 0.00 2.26 2.25 0.00 78 R 8.31 3.89 0.00 1.75 1.91 0.00 3.31 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 79 R 7.64 3.31 0.00 1.87 2.21 0.00 3.37 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 80 I 8.09 4.08 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.92 0.00 0.00 81 D 8.53 5.03 0.00 2.86 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 *83 R 8.32 3.91 0.00 1.93 1.76 0.00 2.96 0.00 0.00 3.03 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 84 E 8.26 4.11 0.00 2.37 2.33 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 2.42 2.38 0.00 85 F 8.19 3.77 0.00 1.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.95 3.92 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 87 K 7.74 3.90 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 88 Q 7.86 4.05 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 89 A 8.08 3.87 1.09 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 90 E 8.47 4.22 0.00 2.13 2.16 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 2.31 2.39 0.00 91 K 7.73 4.07 0.00 1.91 1.79 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 92 I 7.33 3.85 1.43 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 1.65 0.61 0.03 0.00 0.00 93 F 8.19 4.92 0.00 2.91 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 94 P 0.00 4.59 0.00 2.17 2.10 0.00 3.49 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 9.07 3.52 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 0.00 0.00 0.00 *97 V 7.39 4.21 2.27 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 0.90 0.00 0.00 1.01 0.00 0.00 98 K 8.69 4.71 0.00 1.69 1.62 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.37 7.81 99 Y 8.79 4.82 0.00 3.01 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 0.00 100 I 8.50 4.14 1.62 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.38 0.83 0.00 0.00 101 E 8.61 3.88 0.00 2.32 2.48 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 2.38 2.36 0.00 102 E 8.23 4.20 0.00 1.90 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 2.30 2.37 0.00 103 T 6.91 4.38 4.18 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 1.16 0.00 0.00 104 N 8.04 4.07 0.00 2.92 2.95 0.00 0.00 6.89 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 0.00 105 V 6.97 4.69 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 0.75 0.00 0.00 0.82 0.00 0.00 106 V 8.46 4.81 2.33 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 1.24 0.00 0.00 1.26 0.00 0.00 107 L 8.93 4.74 0.00 1.58 1.52 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.59 3.99 1.53 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.88 -0.28 0.00 0.00 109 G 8.48 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.56 4.71 0.00 2.61 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 0.00 111 K 7.83 4.57 0.00 1.68 1.71 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.36 7.81 112 V 7.44 4.75 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 0.89 0.00 0.00 0.84 0.00 0.00 113 R 8.77 4.99 0.00 1.80 1.88 0.00 2.71 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 114 V 8.84 4.56 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 0.08 0.00 0.00 0.99 0.00 0.00 115 S 8.07 5.00 0.00 3.86 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 0.00 116 E 8.92 4.19 0.00 2.03 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 2.45 2.40 0.00 117 I 7.39 4.12 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.93 0.00 0.00 118 G 6.76 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 0.00 0.00 0.00 119 V 7.60 4.12 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 0.77 0.00 0.00 0.78 0.00 0.00 120 E 9.48 4.51 0.00 2.06 1.72 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 2.12 2.12 0.00 121 G 7.84 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 0.00 0.00 0.00 0.00 122 V 7.92 4.32 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.51 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 0.00 124 P 0.00 4.24 0.00 2.21 2.16 0.00 3.62 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 2.14 2.17 0.00 125 V 7.83 3.78 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 0.89 0.00 0.00 0.97 0.00 0.00 126 A 7.93 3.97 1.36 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 0.00 0.00 127 E 8.57 3.97 0.00 2.14 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 2.62 2.48 0.00 128 R 8.74 4.00 0.00 2.08 2.41 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 129 A 8.56 4.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.44 4.11 0.00 2.03 1.96 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.75 7.81 131 R 8.08 4.01 0.00 2.23 2.06 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 132 L 8.08 4.31 0.00 2.05 2.22 0.97 0.66 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 0.00 133 F 9.11 4.38 0.00 3.13 3.24 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 0.00 134 E 8.40 3.98 0.00 2.35 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 2.42 2.44 0.00 135 E 8.35 4.13 0.00 2.29 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 0.00 2.37 2.37 0.00 136 F 8.32 4.37 0.00 3.24 3.19 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 0.00 0.00 0.00 137 L 7.37 3.54 0.00 1.66 1.54 0.82 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.84 4.15 0.00 1.66 1.65 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.