NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.2071 8.4449 120.2147 56.3935 30.4865 176.1602 8 F 4.6835 8.8900 125.8202 56.3292 41.6251 172.7607 9 A 4.8092 9.0727 126.1258 50.4031 22.9368 175.4365 10 L 4.1259 8.6065 120.0948 56.7597 41.9589 178.5409 11 G 3.9059 9.2698 111.7239 45.4823 0.0000 173.6870 12 G 3.9662 8.0729 107.9403 45.5056 0.0000 173.5339 13 R 5.0001 8.2096 119.0422 55.9681 31.4887 175.5852 14 C 4.8541 8.6748 114.4780 57.5492 33.8742 172.5435 15 L 5.1808 9.0859 119.5775 53.0051 43.8582 175.7408 16 A 5.2811 8.9452 125.4794 49.8956 22.8066 174.7886 17 F 4.8458 9.2240 119.8759 57.4499 39.9452 175.2172 18 H 4.7391 9.2772 123.1895 55.2022 31.6121 173.9744 19 G 3.9682 8.7120 118.6074 45.4227 0.0000 170.9984 20 P 4.5774 0.0000 0.0000 63.7955 32.4004 175.8747 21 L 4.8471 7.8519 118.8472 53.3690 45.0605 175.0731 22 M 4.6799 7.8694 119.5386 54.4784 33.7590 175.3686 23 Y 4.8196 8.7381 118.2869 56.1059 43.3097 174.1646 24 E 4.6330 8.9216 123.2865 56.4190 31.1564 175.3762 25 A 4.8847 9.1046 127.4166 50.1461 23.6787 174.1700 26 K 4.8762 8.7148 120.0312 54.5978 35.5308 175.1508 27 I 4.3260 8.5369 128.2670 61.2119 37.1924 176.3460 28 L 4.5962 9.4138 127.7043 55.5906 43.5967 176.7026 29 K 4.9637 7.8419 116.6443 55.0556 37.1210 174.9106 30 I 4.9734 8.9534 123.7833 59.4111 40.5563 174.1578 31 W 5.2923 8.9865 135.0000 55.9866 32.7921 174.2323 32 D 4.6520 8.4334 128.0294 51.8711 41.1835 175.3391 33 P 4.2345 0.0000 0.0000 65.0035 31.8552 177.8597 34 S 4.2631 8.0253 113.5090 60.6565 63.5012 175.4774 35 S 4.1118 8.1698 114.1850 57.9308 63.3690 173.8909 36 K 2.7949 7.2388 119.4668 57.2635 29.9302 174.6811 37 M 5.0459 6.4125 115.2718 53.7442 37.1364 174.4749 38 Y 5.4741 8.4878 118.2479 55.6570 42.1434 174.3807 39 T 5.0705 8.9154 111.1439 60.6451 71.7996 174.2500 40 S 5.1772 8.6237 115.4982 56.3097 65.9983 173.3808 41 I 4.4418 7.9907 108.0746 59.0919 36.8301 173.9419 *57 K 4.0603 7.7632 123.5582 55.9832 33.5931 174.3159 58 P 4.6539 0.0000 0.0000 63.2919 32.0299 175.6194 59 Q 4.4831 8.3611 119.8613 54.4149 32.2193 174.4852 60 K 4.6027 8.4398 120.3094 55.8358 33.4129 176.8088 61 L 4.3954 8.7011 122.3674 54.6547 42.1642 177.9868 62 G 3.8635 9.6485 113.7227 45.0700 0.0000 173.9753 63 E 3.8494 8.8918 119.6241 59.0105 29.2263 177.9450 64 D 4.5917 7.9973 115.9600 53.6202 40.3442 176.0040 65 E 4.6110 8.2902 120.2881 55.5389 31.1369 175.1672 66 S 4.4645 7.8958 112.8188 57.6444 65.3130 174.2443 67 I 4.1109 7.5175 121.7424 58.3348 39.8665 173.8755 68 P 4.1695 0.0000 0.0000 63.1374 31.5650 177.1670 69 E 4.0962 8.6688 121.5084 58.6608 29.6224 178.1683 70 E 4.1624 8.1211 117.9535 58.2644 29.8285 177.3102 71 I 4.5414 7.6707 109.4442 59.8898 38.9909 177.0436 72 I 3.3578 7.8018 120.8113 64.0124 37.7368 175.8895 73 N 4.6632 8.2029 114.9736 53.7976 38.7171 173.9111 74 G 4.3407 7.7889 105.3783 43.5125 0.0000 173.0670 75 K 4.3108 8.6403 119.3872 56.7819 32.4279 176.8305 76 C 5.0512 8.2851 121.1533 57.9430 32.5807 173.0409 77 F 5.3919 9.2621 118.4560 56.1267 43.1938 173.8563 78 F 4.4168 8.7950 127.3083 57.2263 39.8244 174.2485 79 I 4.7542 8.0706 120.5857 59.1211 40.8725 173.8394 80 H 4.9637 8.5785 123.8060 54.4422 32.4485 172.4469 81 Y 4.1418 7.9900 123.6018 57.0289 38.9655 175.0640 82 Q 4.0950 8.2483 124.2253 57.8459 28.9705 177.0869 83 G 4.0972 9.2676 111.0879 45.2151 0.0000 172.5070 84 W 4.9515 7.7996 118.5362 54.0882 31.7923 176.1115 85 K 4.3035 8.7876 120.0351 56.6333 32.2337 178.4853 86 S 5.0624 9.0356 115.8003 59.8584 63.1356 175.9736 87 S 4.2574 7.9900 115.1342 60.0346 62.9899 174.6963 88 W 4.7353 8.0679 120.0649 57.1646 29.7524 176.2759 89 D 4.7598 8.2245 120.5443 54.0786 41.2989 175.3519 90 E 4.9273 7.7030 118.8992 54.9975 33.3952 173.5881 91 W 5.1076 8.8076 120.4551 56.2369 30.1151 176.4546 92 V 4.6372 9.4299 117.6700 59.7152 35.6857 175.2615 93 G 4.4989 8.3660 109.6508 44.5926 0.0000 173.6033 94 Y 4.7113 8.6191 115.7667 59.4653 37.9700 177.1577 95 D 4.5736 8.3490 120.0533 56.8798 41.5756 176.7520 96 R 4.8313 8.3939 115.5281 55.7588 33.1377 175.4139 97 I 4.6500 7.9533 118.8865 59.9252 39.3090 174.9085 98 R 5.1781 9.2212 126.4650 54.0565 34.7544 174.5012 99 A 3.7501 8.6730 122.8501 52.1055 19.2576 177.4144 100 Y 4.1405 8.4255 123.4016 57.1526 38.8641 173.7726 101 N 4.9381 7.7361 123.3074 50.3084 40.8954 175.2498 102 E 3.8494 8.6621 116.4498 59.5295 29.2487 178.9305 103 E 3.8536 8.0577 118.9046 59.4110 29.7851 178.3393 104 N 4.4269 9.0455 116.1730 55.5243 38.6741 177.6108 105 I 3.5593 7.3518 121.3424 64.0447 37.0779 178.1278 106 A 3.9684 8.1505 121.9233 55.1482 18.1163 179.4231 107 M 3.9153 7.7790 116.8431 58.4808 32.3242 178.1893 108 K 3.6843 7.8260 119.8222 59.5231 32.2437 178.8548 109 K 3.8959 7.9689 118.4876 59.3810 31.9858 179.2881 110 R 3.8608 8.1767 119.2017 59.5074 29.9454 178.6084 111 L 3.9951 8.1070 118.5526 57.6458 41.6216 179.3185 112 A 3.9259 7.9491 120.7926 55.2650 18.3234 179.2815 113 N 4.2943 8.5366 115.9273 56.5712 38.9918 176.8048 114 E 4.1019 8.2949 120.8715 59.1769 29.7687 178.6673 115 A 4.0547 8.3048 121.0297 54.7236 18.4705 179.5424 116 K 3.9117 7.9370 118.5055 59.8005 32.3087 178.9606 117 E 4.0509 8.1549 118.1964 59.0453 29.2939 179.1214 118 A 4.0385 7.9222 121.1558 54.6460 18.4095 179.6011 119 K 3.8371 8.1437 118.2804 59.5795 32.2259 178.9151 120 K 3.9204 7.8473 119.3980 59.6267 32.2250 178.6669 121 S 4.1118 8.1709 113.3731 61.3525 62.2771 175.8570 122 L 4.1060 8.2467 123.0993 57.8143 41.9130 178.8431 123 L 4.0701 8.1273 119.2909 57.4842 41.3940 179.2879 124 E 3.9418 8.0257 118.7888 59.7416 29.5203 178.5177 125 H 4.1435 8.1606 117.9347 59.7529 29.6147 176.4617 126 H 4.1492 8.4811 119.0209 59.7050 29.9067 176.3324 127 H 4.3264 8.2188 119.6453 59.7219 29.4717 176.9754 128 H 4.2290 8.3855 117.1797 58.3505 28.5027 176.4824 129 H 4.7293 7.6940 115.3859 55.5830 28.9135 174.5300 130 H 4.3256 7.7947 126.6385 56.4464 29.6807 174.8580 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 7 E 8.44 4.21 0.00 2.07 1.75 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 2.25 2.37 0.00 8 F 8.89 4.68 0.00 3.14 2.86 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 0.00 0.00 0.00 9 A 9.07 4.81 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 10 L 8.61 4.13 0.00 1.72 1.72 1.03 1.10 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 11 G 9.27 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 12 G 8.07 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 13 R 8.21 5.00 0.00 1.34 1.50 0.00 2.49 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 14 C 8.67 4.85 0.00 3.32 3.13 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 0.00 0.00 0.00 0.00 15 L 9.09 5.18 0.00 1.50 1.45 0.63 1.25 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 16 A 8.95 5.28 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.22 4.85 0.00 3.00 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 18 H 9.28 4.74 0.00 2.97 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.71 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 20 P 0.00 4.58 0.00 2.26 2.23 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 21 L 7.85 4.85 0.00 1.47 1.29 0.90 0.95 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 22 M 7.87 4.68 0.00 1.44 1.55 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.00 23 Y 8.74 4.82 0.00 2.87 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 24 E 8.92 4.63 0.00 2.16 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 2.37 2.51 0.00 25 A 9.10 4.88 0.70 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 0.00 0.00 26 K 8.71 4.88 0.00 1.70 1.55 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.39 7.81 27 I 8.54 4.33 2.09 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 1.22 0.49 1.12 0.00 0.00 28 L 9.41 4.60 0.00 1.79 1.77 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.84 4.96 0.00 1.28 1.74 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.58 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.39 1.33 7.81 30 I 8.95 4.97 2.02 0.00 0.00 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 1.49 1.30 0.94 0.00 0.00 31 W 8.99 5.29 0.00 3.30 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 32 D 8.43 4.65 0.00 2.50 2.26 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 33 P 0.00 4.23 0.00 2.33 2.39 0.00 3.64 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 1.92 1.87 0.00 34 S 8.03 4.26 0.00 3.93 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 35 S 8.17 4.11 0.00 3.82 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 36 K 7.24 2.79 0.00 1.83 2.01 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.31 7.81 37 M 6.41 5.05 0.00 1.70 1.64 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 38 Y 8.49 5.47 0.00 3.55 3.58 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 0.00 0.00 0.00 0.00 39 T 8.92 5.07 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 S 8.62 5.18 0.00 4.04 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 41 I 7.99 4.44 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.95 0.00 0.00 *57 K 7.76 4.06 0.00 1.77 1.80 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.47 7.81 58 P 0.00 4.65 0.00 1.84 1.89 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 59 Q 8.36 4.48 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 1.83 1.28 0.00 60 K 8.44 4.60 0.00 1.67 1.84 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.40 7.81 61 L 8.70 4.40 0.00 1.71 1.67 0.51 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.65 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.89 3.85 0.00 2.09 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 2.30 2.35 0.00 64 D 8.00 4.59 0.00 2.81 2.83 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 65 E 8.29 4.61 0.00 2.18 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 2.28 2.27 0.00 66 S 7.90 4.46 0.00 3.84 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 67 I 7.52 4.11 0.95 0.00 0.00 -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 -0.30 -0.36 0.19 0.00 0.00 68 P 0.00 4.17 0.00 2.15 2.13 0.00 3.53 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 2.18 2.17 0.00 69 E 8.67 4.10 0.00 1.93 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 2.27 2.25 0.00 70 E 8.12 4.16 0.00 1.94 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 2.32 2.36 0.00 71 I 7.67 4.54 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.94 0.00 0.00 72 I 7.80 3.36 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.23 0.93 0.00 0.00 73 N 8.20 4.66 0.00 2.78 2.87 0.00 0.00 6.64 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 74 G 7.79 4.34 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 0.00 75 K 8.64 4.31 0.00 1.40 1.38 0.00 1.84 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.55 7.81 76 C 8.29 5.05 0.00 2.83 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 77 F 9.26 5.39 0.00 2.91 2.88 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 78 F 8.80 4.42 0.00 1.51 2.30 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 79 I 8.07 4.75 1.45 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.08 0.81 0.00 0.00 80 H 8.58 4.96 0.00 3.03 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.99 4.14 0.00 1.85 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 82 Q 8.25 4.09 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 83 G 9.27 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 0.00 0.00 0.00 84 W 7.80 4.95 0.00 3.29 3.09 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 85 K 8.79 4.30 0.00 2.03 1.82 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.59 7.81 86 S 9.04 5.06 0.00 4.23 4.21 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 0.00 0.00 0.00 0.00 87 S 7.99 4.26 0.00 3.78 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 88 W 8.07 4.74 0.00 3.72 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 89 D 8.22 4.76 0.00 2.69 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 0.00 0.00 0.00 90 E 7.70 4.93 0.00 2.10 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 2.69 2.39 0.00 91 W 8.81 5.11 0.00 3.16 3.09 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 92 V 9.43 4.64 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 0.85 0.00 0.00 1.00 0.00 0.00 93 G 8.37 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 0.00 0.00 0.00 0.00 94 Y 8.62 4.71 0.00 3.09 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 95 D 8.35 4.57 0.00 2.69 2.78 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 0.00 0.00 0.00 0.00 96 R 8.39 4.83 0.00 1.92 2.13 0.00 3.24 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 97 I 7.95 4.65 1.80 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.66 0.00 0.00 98 R 9.22 5.18 0.00 1.87 1.83 0.00 3.55 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 99 A 8.67 3.75 0.92 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 0.00 100 Y 8.43 4.14 0.00 3.04 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 0.00 101 N 7.74 4.94 0.00 2.85 2.81 0.00 0.00 6.17 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 0.00 102 E 8.66 3.85 0.00 1.98 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 2.35 2.32 0.00 103 E 8.06 3.85 0.00 1.99 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 2.35 2.38 0.00 104 N 9.05 4.43 0.00 2.72 2.72 0.00 0.00 7.07 7.29 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 0.00 105 I 7.35 3.56 1.87 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.47 0.79 0.00 0.00 106 A 8.15 3.97 1.33 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 0.00 0.00 107 M 7.78 3.92 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 108 K 7.83 3.68 0.00 1.81 1.89 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.24 7.81 109 K 7.97 3.90 0.00 1.97 1.80 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.54 7.81 110 R 8.18 3.86 0.00 1.92 2.05 0.00 3.09 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 1.72 1.67 0.00 111 L 8.11 4.00 0.00 1.71 1.72 1.12 0.65 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 0.00 112 A 7.95 3.93 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 0.00 113 N 8.54 4.29 0.00 2.87 2.81 0.00 0.00 6.89 7.29 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 0.00 114 E 8.29 4.10 0.00 2.38 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 2.31 2.32 0.00 115 A 8.30 4.05 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 0.00 116 K 7.94 3.91 0.00 1.97 2.02 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 117 E 8.15 4.05 0.00 2.18 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 2.33 2.52 0.00 118 A 7.92 4.04 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 0.00 119 K 8.14 3.84 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 120 K 7.85 3.92 0.00 1.89 1.95 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.46 7.81 121 S 8.17 4.11 0.00 4.01 4.01 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 0.00 122 L 8.25 4.11 0.00 1.87 1.70 0.94 0.66 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 0.00 123 L 8.13 4.07 0.00 1.81 1.72 0.92 0.66 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 0.00 124 E 8.03 3.94 0.00 2.20 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 2.35 2.43 0.00 125 H 8.16 4.14 0.00 3.38 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 H 8.48 4.15 0.00 3.32 3.57 0.00 6.01 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.22 4.33 0.00 3.40 3.31 0.00 5.66 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 0.00 128 H 8.39 4.23 0.00 3.24 3.16 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 7.69 4.73 0.00 3.18 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 7.79 4.33 0.00 3.00 3.34 0.00 5.98 0.00 0.00 0.00 0.00 6.91 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.