NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7974 8.3431 109.7358 45.5029 0.0000 174.6202 *2 G 3.8881 7.9676 107.3861 44.5378 0.0000 172.7488 3 K 4.3945 7.8930 118.8514 54.5619 34.1460 177.0977 4 G 3.9640 8.2570 110.0652 43.3281 0.0000 174.3481 5 K 3.9340 8.4517 119.6859 59.6506 32.0501 178.5986 6 S 4.0730 8.0398 112.6538 61.1817 62.4570 175.7959 7 A 4.1264 7.9425 123.0213 55.2777 18.2771 179.4819 8 I 3.7825 7.9512 118.3217 64.7219 37.1563 178.5265 9 E 4.0346 8.4846 119.8058 59.4422 29.2159 179.6484 10 S 4.1106 8.2531 114.4005 61.2966 62.8335 176.3959 11 Q 3.6963 7.9086 122.3908 58.8569 29.1300 177.9516 12 I 3.8975 7.7532 120.7608 64.3418 37.1784 179.2513 13 R 3.8167 7.8850 115.8598 57.3572 29.6023 177.7998 *15 L 4.2641 7.8739 119.1304 54.3316 43.9046 179.3917 16 K 3.9631 8.1606 118.0234 59.1581 31.8809 179.1901 17 L 3.9100 8.0761 120.4770 58.0887 41.9818 178.7949 18 A 3.9540 7.9416 120.2356 54.9561 18.1758 179.1942 19 K 3.9476 8.5214 118.2731 59.8325 32.1538 178.6941 20 E 4.1132 8.1127 118.6595 59.5962 29.4086 179.5114 21 I 3.7781 7.8930 119.6304 64.4862 37.2172 178.7170 22 V 3.6008 8.3328 119.4609 65.9475 31.4742 177.7050 23 E 4.0027 8.6559 118.7588 59.5530 29.0923 179.3898 24 E 3.9529 7.7406 116.9468 59.3950 29.9593 179.1629 25 V 3.0180 7.4334 117.9294 65.8087 31.2969 177.9160 26 A 3.7863 7.9730 119.6838 54.9610 18.1608 179.4454 27 S 4.2179 7.7279 111.3359 61.0173 63.2803 176.1673 28 S 4.4562 7.5891 117.6584 58.4379 63.2904 173.8361 29 F 4.7670 7.6125 119.1087 54.7762 40.6984 173.4583 30 P 4.3959 0.0000 0.0000 65.3069 31.4906 177.5102 31 N 4.7055 8.3695 113.5750 53.3103 37.9471 174.1813 32 L 3.8181 8.0175 123.0912 55.6366 42.0113 175.5225 33 E 4.6818 9.4834 127.2338 57.4528 32.2064 175.3333 34 E 5.2859 8.0514 116.3813 54.8554 34.5941 174.5108 35 V 4.9287 9.1508 121.7374 61.4989 35.2356 173.9227 36 Y 5.2788 9.1116 124.1668 56.3126 42.0207 174.4343 37 I 4.7564 8.7046 123.2548 60.2449 39.0530 175.1150 38 F 4.9973 8.5046 121.8583 55.7968 41.3018 175.0161 39 G 3.9030 9.0895 105.2700 46.0066 0.0000 173.9189 40 S 4.7876 8.3916 113.6830 61.2037 62.7289 176.3076 41 R 3.7840 7.8665 119.6926 58.0817 29.8899 178.0471 42 A 4.2852 7.7974 119.8365 54.8071 19.0635 179.2830 43 R 4.1175 7.9288 115.7792 59.6130 30.3494 177.6576 44 G 4.1678 8.3038 105.0119 45.7208 0.0000 173.3011 45 D 4.6954 8.2322 119.9071 53.7096 40.1687 175.8276 46 Y 4.8267 7.5851 116.8311 56.9892 40.0131 174.1661 47 L 4.7558 8.6392 121.2439 52.5607 44.2564 177.6410 48 D 4.7774 8.9260 118.9296 55.9344 39.2181 177.4556 49 T 4.2938 7.7763 107.2642 61.7590 69.5262 175.1285 50 S 4.2296 7.6983 119.5066 58.6347 63.2938 173.7417 51 D 4.7833 8.3364 123.5608 53.1529 41.1375 174.6198 52 I 4.3325 8.2890 118.3120 59.2022 40.6553 173.6482 53 D 5.0922 8.1734 128.2458 52.4839 43.1661 175.0142 54 I 4.4839 8.5461 124.4886 59.2946 40.2273 174.2253 55 L 5.1624 9.2314 130.1479 53.7170 43.6884 174.8935 56 F 4.8898 9.4326 126.4950 56.1807 41.0740 175.1192 57 V 4.9122 8.8395 123.7539 61.3843 33.8556 174.1683 58 F 5.4699 9.2591 126.7860 55.6432 42.0545 175.2715 59 K 4.4089 9.4028 121.9460 56.4464 33.0579 177.0726 60 G 3.9275 9.1350 110.8728 46.9743 0.0000 173.9802 61 I 4.4085 8.0561 110.1426 59.9361 37.8939 176.0268 62 K 3.8809 8.4524 124.0826 60.0193 31.8163 176.8060 63 E 4.1747 7.7750 118.9321 54.7328 28.1272 174.9824 *65 N 4.5358 7.9359 120.4598 52.0111 38.7390 176.7675 66 V 3.4599 7.9172 111.4669 64.2708 31.8581 178.7995 67 F 4.3815 7.6092 117.7999 60.5607 38.9509 176.9610 68 D 4.6429 8.9532 117.7271 57.3091 40.6188 179.6276 69 R 3.8825 7.7327 114.3629 56.7181 30.3329 176.4924 *71 Y 4.4356 7.7746 117.6365 57.7129 39.9208 176.1130 *73 V 4.1411 7.5816 112.2286 60.7376 34.2248 177.9604 74 S 4.0202 8.1978 115.1862 61.3548 61.9977 176.5188 75 R 3.9280 7.6526 113.6825 58.1904 29.2915 177.1323 76 F 4.4306 8.0181 116.4445 58.4582 39.4405 175.7924 77 I 4.2079 7.4857 122.8182 60.5221 37.5911 175.2912 78 R 4.5155 8.4091 119.9671 56.0865 32.2031 175.9192 79 G 3.7908 8.4393 107.0625 45.0039 0.0000 173.1742 80 N 4.7324 8.2363 114.4818 52.2984 37.1695 174.5250 81 V 5.0027 7.6026 119.4633 60.7749 35.2915 173.8385 82 D 5.3245 8.9574 125.8747 52.9247 45.1390 173.3813 83 Y 5.7265 7.9894 118.5792 56.1411 41.4487 173.8331 84 I 4.8354 9.3241 119.5392 59.6150 41.8444 174.5930 85 V 5.2053 8.6840 124.8192 61.3740 33.5957 174.6061 86 L 5.1039 9.1648 126.7302 52.8855 46.3440 175.8150 87 D 5.0948 9.3849 121.1684 53.4767 42.3335 176.9794 88 E 3.9618 8.9375 122.6030 59.7506 29.2576 179.5804 89 G 3.7232 8.2992 105.7253 46.5225 0.0000 174.1369 90 E 4.5632 8.2806 119.2384 55.7939 30.4026 177.6334 91 K 3.8871 7.6560 119.5367 59.8803 32.2284 178.4199 92 D 4.3873 7.9469 118.3636 56.4346 40.7984 178.0810 93 R 4.1220 7.9375 118.3222 56.9202 30.0175 176.4174 94 V 4.0514 6.8443 118.6273 60.9360 32.6157 174.9915 95 K 4.3641 8.2807 131.0643 56.7577 33.6859 176.2680 96 D 4.3924 8.7239 111.7131 55.8550 37.6155 172.4833 97 K 4.9213 7.6989 117.9571 54.9892 36.3141 176.3938 98 V 4.5624 8.8626 120.1870 60.7618 34.1303 174.4263 99 L 3.7564 8.8660 130.4244 55.4794 42.0196 175.5910 100 F 4.9056 9.2056 128.9236 59.4462 41.6567 175.0610 101 W 5.1239 7.6987 126.0382 56.0077 34.2114 173.2487 102 K 4.2278 7.2374 125.4098 54.4491 34.9351 176.5928 103 R 2.9568 7.6399 128.0571 59.4035 29.8672 177.3375 104 E 4.1241 7.5888 113.0110 57.0367 29.7532 176.9565 105 K 4.2303 7.2939 116.9571 54.5677 35.0510 178.2056 106 G 3.5094 7.0884 107.3347 45.3658 0.0000 172.4719 107 F 4.4333 8.5800 119.3420 57.0376 39.5181 175.0235 108 V 3.8108 8.4653 124.8540 63.0788 31.9711 176.4350 109 L 3.7634 8.7707 124.5871 55.2968 39.6750 174.4783 110 L 4.3246 7.5549 123.2149 54.9202 42.4509 176.2010 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 0 G 8.34 3.80 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 0.00 0.00 0.00 *2 G 7.97 3.89 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 0.00 0.00 0.00 3 K 7.89 4.39 0.00 1.72 1.69 0.00 1.21 0.00 0.00 1.43 0.00 0.00 2.67 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.24 1.26 7.81 4 G 8.26 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 5 K 8.45 3.93 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.51 7.81 6 S 8.04 4.07 0.00 3.94 3.85 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 7 A 7.94 4.13 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 8 I 7.95 3.78 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.14 0.95 0.00 0.00 9 E 8.48 4.03 0.00 2.02 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 0.00 2.34 2.46 0.00 10 S 8.25 4.11 0.00 4.12 4.24 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 11 Q 7.91 3.70 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 12 I 7.75 3.90 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.91 0.00 0.00 13 R 7.89 3.82 0.00 1.93 2.06 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 *15 L 7.87 4.26 0.00 1.98 1.90 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.16 3.96 0.00 1.93 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.57 7.81 17 L 8.08 3.91 0.00 1.76 1.63 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.94 3.95 1.02 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 0.00 0.00 0.00 0.00 0.00 19 K 8.52 3.95 0.00 1.62 1.90 0.00 1.02 0.00 0.00 1.35 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.03 0.21 7.81 20 E 8.11 4.11 0.00 2.27 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 0.00 2.32 2.54 0.00 21 I 7.89 3.78 2.10 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 1.67 0.91 1.11 0.00 0.00 22 V 8.33 3.60 2.45 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 0.36 0.00 0.00 1.11 0.00 0.00 23 E 8.66 4.00 0.00 2.24 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 2.55 2.68 0.00 24 E 7.74 3.95 0.00 2.15 2.29 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 2.44 2.54 0.00 25 V 7.43 3.02 1.82 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 0.73 0.00 0.00 0.09 0.00 0.00 26 A 7.97 3.79 0.76 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 0.00 0.00 27 S 7.73 4.22 0.00 4.07 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 28 S 7.59 4.46 0.00 3.69 3.30 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 29 F 7.61 4.77 0.00 3.22 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 30 P 0.00 4.40 0.00 2.12 2.19 0.00 3.78 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 2.08 2.12 0.00 31 N 8.37 4.71 0.00 3.19 3.20 0.00 0.00 5.93 6.67 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 32 L 8.02 3.82 0.00 1.41 1.56 0.07 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.48 4.68 0.00 2.16 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 2.23 2.31 0.00 34 E 8.05 5.29 0.00 2.04 1.59 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 2.15 2.27 0.00 35 V 9.15 4.93 2.28 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 0.94 0.00 0.00 0.82 0.00 0.00 36 Y 9.11 5.28 0.00 3.00 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 37 I 8.70 4.76 1.86 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.78 0.00 0.00 38 F 8.50 5.00 0.00 2.95 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 39 G 9.09 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.39 4.79 0.00 4.31 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 0.00 41 R 7.87 3.78 0.00 1.59 1.80 0.00 3.03 0.00 0.00 2.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.47 0.00 42 A 7.80 4.29 1.40 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 0.00 0.00 43 R 7.93 4.12 0.00 2.06 2.04 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 44 G 8.30 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.23 4.70 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 46 Y 7.59 4.83 0.00 3.03 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 47 L 8.64 4.76 0.00 1.72 1.64 0.93 1.03 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 48 D 8.93 4.78 0.00 2.82 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 49 T 7.78 4.29 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 1.22 0.00 0.00 50 S 7.70 4.23 0.00 4.02 3.85 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 51 D 8.34 4.78 0.00 2.70 2.84 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 52 I 8.29 4.33 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.22 0.78 0.00 0.00 53 D 8.17 5.09 0.00 1.61 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 0.00 0.00 0.00 54 I 8.55 4.48 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.76 0.06 0.00 0.00 55 L 9.23 5.16 0.00 1.73 1.73 0.96 0.66 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 56 F 9.43 4.89 0.00 3.16 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 57 V 8.84 4.91 2.34 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 1.21 0.00 0.00 1.15 0.00 0.00 58 F 9.26 5.47 0.00 2.98 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 59 K 9.40 4.41 0.00 1.69 1.80 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.48 7.81 60 G 9.13 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 61 I 8.06 4.41 1.77 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 1.26 0.79 0.78 0.00 0.00 62 K 8.45 3.88 0.00 2.01 1.92 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.06 7.81 63 E 7.78 4.17 0.00 2.00 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 2.28 2.29 0.00 *65 N 7.94 4.54 0.00 3.01 3.05 0.00 0.00 6.14 7.68 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 66 V 7.92 3.46 1.76 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 0.55 0.00 0.00 -0.04 0.00 0.00 67 F 7.61 4.38 0.00 3.17 3.14 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 68 D 8.95 4.64 0.00 2.74 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 69 R 7.73 3.88 0.00 1.90 1.94 0.00 3.14 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 *71 Y 7.77 4.44 0.00 3.05 3.17 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 0.00 0.00 0.00 0.00 *73 V 7.58 4.14 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 -0.03 0.00 0.00 0.23 0.00 0.00 74 S 8.20 4.02 0.00 3.91 3.82 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 75 R 7.65 3.93 0.00 1.67 1.78 0.00 2.66 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.00 76 F 8.02 4.43 0.00 3.05 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 77 I 7.49 4.21 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.40 1.07 0.00 0.00 78 R 8.41 4.52 0.00 1.88 1.87 0.00 3.34 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 79 G 8.44 3.79 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 0.00 0.00 0.00 80 N 8.24 4.73 0.00 2.86 2.71 0.00 0.00 6.31 7.71 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 81 V 7.60 5.00 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 0.93 0.00 0.00 1.00 0.00 0.00 82 D 8.96 5.32 0.00 2.79 2.58 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 83 Y 7.99 5.73 0.00 3.50 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 84 I 9.32 4.84 1.83 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.95 0.88 0.00 0.00 85 V 8.68 5.21 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 0.92 0.00 0.00 1.18 0.00 0.00 86 L 9.16 5.10 0.00 1.63 1.51 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.38 5.09 0.00 2.78 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 88 E 8.94 3.96 0.00 2.25 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 2.36 2.34 0.00 89 G 8.30 3.72 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 0.00 0.00 0.00 90 E 8.28 4.56 0.00 2.11 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 2.21 2.27 0.00 91 K 7.66 3.89 0.00 1.95 2.08 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.40 7.81 92 D 7.95 4.39 0.00 2.62 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 93 R 7.94 4.12 0.00 1.80 1.91 0.00 3.09 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 94 V 6.84 4.05 1.77 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 0.36 0.00 0.00 0.53 0.00 0.00 95 K 8.28 4.36 0.00 1.76 1.69 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.36 7.81 96 D 8.72 4.39 0.00 2.78 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 97 K 7.70 4.92 0.00 2.06 1.76 0.00 0.85 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.15 1.23 7.81 98 V 8.86 4.56 2.20 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 1.13 0.00 0.00 1.02 0.00 0.00 99 L 8.87 3.76 0.00 1.63 1.54 0.28 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.21 4.91 0.00 3.07 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 0.00 101 W 7.70 5.12 0.00 2.86 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 0.00 102 K 7.24 4.23 0.00 1.50 1.10 0.00 1.64 0.00 0.00 1.38 0.00 0.00 2.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.25 7.81 103 R 7.64 2.96 0.00 1.61 1.85 0.00 3.42 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 104 E 7.59 4.12 0.00 1.81 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 2.22 2.28 0.00 105 K 7.29 4.23 0.00 1.32 1.58 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.10 7.81 106 G 7.09 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.58 4.43 0.00 3.03 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 0.00 108 V 8.47 3.81 2.18 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 0.95 0.00 0.00 0.81 0.00 0.00 109 L 8.77 3.76 0.00 1.85 1.76 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.55 4.32 0.00 1.47 1.34 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.