NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.1947 8.1849 120.6280 53.6096 43.2157 176.1041 8 P 4.3305 0.0000 0.0000 60.9176 32.0117 173.4268 9 P 4.2853 0.0000 0.0000 64.9667 32.4496 176.0217 10 G 3.5880 9.0343 111.2951 44.7256 0.0000 172.8088 11 W 4.7673 7.5661 119.8160 56.3142 29.6781 176.0208 12 E 4.7749 9.4920 124.5188 54.0960 33.0440 175.1173 13 K 4.3497 8.6711 123.5463 56.2940 33.2483 175.5895 14 A 4.6763 8.4288 127.3466 50.7281 23.4336 174.0296 15 M 4.8412 8.3483 118.7220 53.8045 34.1218 175.6156 16 S 4.5934 9.5378 122.2322 58.5008 63.5244 174.6418 17 R 4.5035 8.7389 121.8551 56.7199 30.3386 177.5775 18 S 4.3700 8.2675 115.2765 61.1284 63.2887 175.1510 19 S 4.4413 7.7746 110.9704 57.6076 63.9759 175.4462 20 G 3.9925 8.1296 107.3354 45.3553 0.0000 173.6046 21 R 4.3065 7.8340 119.5039 55.4234 31.3613 176.4066 22 V 4.3024 8.5751 123.0528 63.8800 32.3750 174.3021 23 Y 5.0943 8.8420 124.3395 55.9972 42.4006 172.8664 24 Y 5.2947 9.3546 116.3566 56.2433 41.3593 175.2931 25 F 5.6900 9.5360 117.3953 55.2660 42.5131 172.9056 26 N 4.9913 8.8459 119.0163 51.8698 40.4610 174.3942 27 H 4.6484 8.7454 122.3552 56.9778 28.8647 176.4100 28 I 4.0842 7.9826 120.3603 62.9073 37.9354 176.6352 29 T 4.1881 7.7054 108.0571 60.6688 69.4710 175.0454 30 N 4.1289 8.4492 118.5016 53.9261 37.0972 173.5761 31 A 4.3863 7.5388 120.8545 52.2227 19.5774 177.5436 32 S 5.5522 8.5110 114.3380 57.2171 66.3491 173.1891 33 Q 4.5667 9.1265 118.5213 55.1777 31.4837 175.4822 34 W 4.5105 8.8323 121.4506 59.9959 29.5131 177.2165 35 E 4.3291 8.1781 116.2956 55.5991 29.6584 176.5157 36 R 2.5679 8.2862 123.0163 55.0490 30.6134 174.5388 37 P 3.9953 0.0000 0.0000 61.7219 32.5036 174.9202 38 S 3.7323 8.2239 116.4384 60.0062 62.3703 174.2657 *51 E 4.0872 8.6368 119.3971 54.5196 30.8105 173.3404 52 P 4.5765 0.0000 0.0000 62.2205 32.8226 176.2602 53 A 4.2652 8.5897 122.0972 54.5004 18.7840 177.8122 54 R 5.1834 7.7937 112.3190 54.5914 33.8939 175.5763 55 V 4.3310 7.9198 114.5959 59.2934 36.2307 174.3049 56 R 4.9096 8.1762 122.2759 53.9752 32.4156 174.4533 57 C 5.4002 8.8079 122.2088 58.2298 32.9626 172.8804 58 S 5.6199 8.7021 116.4215 57.5381 66.1853 172.5050 59 H 5.6169 9.3156 115.5774 54.9831 32.6187 171.9657 60 L 4.9031 9.2743 120.9187 53.1076 44.9388 174.5651 61 L 5.1384 8.7649 128.2288 53.1846 44.9609 174.8943 62 V 4.7723 8.8825 126.1476 61.1551 33.8152 175.2602 63 K 4.7449 9.0059 127.9883 56.0244 33.8214 175.2212 64 H 4.9203 8.9297 116.7830 53.9568 31.6846 174.4450 65 S 4.0792 9.0318 114.4181 61.1913 62.4770 175.3061 66 Q 4.4560 8.1484 117.1645 55.4809 28.9580 175.8678 67 S 4.3231 7.7190 115.1434 58.4813 63.4125 174.3716 68 R 3.9359 8.5811 124.4812 59.0450 29.7622 176.4015 69 R 4.4027 7.5089 116.7255 53.7143 31.3113 173.1238 70 P 4.6073 0.0000 0.0000 60.3559 30.4123 176.1047 71 S 4.8100 7.3208 110.9896 58.2870 65.8060 173.0193 72 S 4.6064 8.6687 120.4346 56.8429 65.7785 175.1786 73 W 4.3253 8.6825 117.0098 59.1515 27.7782 177.4422 74 R 3.4917 6.6517 117.2241 57.7292 29.9516 176.6826 75 Q 4.2748 7.6092 118.4978 54.8661 31.9201 174.0560 76 E 3.7940 9.0985 127.3363 58.3079 29.8137 176.4967 77 K 4.3895 7.7500 119.1358 54.3777 33.8798 174.8935 78 I 4.2956 8.7647 129.0321 60.7409 37.5432 176.0818 79 T 4.4896 8.2748 114.5034 60.9891 70.2955 174.8465 80 R 4.1803 7.7189 119.8557 56.2915 30.1706 176.3277 81 T 4.3160 9.1253 111.1337 61.0905 70.8372 175.4043 82 K 3.6154 8.5905 122.9288 59.9540 32.0232 178.2730 83 E 3.9228 8.1406 118.5612 59.5304 29.5998 178.5393 84 E 3.9400 8.2648 118.3059 59.1675 29.3833 179.1479 85 A 3.9278 8.2527 121.1408 55.1245 18.4446 179.4261 86 L 3.8419 8.2022 119.0661 58.3802 42.1620 179.0895 87 E 3.9887 8.2779 118.5309 59.1132 29.3118 179.3964 88 L 3.5063 7.7493 119.1410 57.5585 41.6454 179.2878 89 I 3.6749 7.7248 120.0122 64.6849 37.1146 178.1355 90 N 4.4050 8.5010 117.5521 56.2937 38.3594 177.7094 91 G 3.4942 7.8892 107.0385 47.9105 0.0000 175.4408 92 Y 4.4180 7.6651 119.0993 60.9552 37.9190 178.3900 93 I 3.8007 8.0140 120.7955 64.6101 37.1642 178.4102 94 Q 4.0425 8.1950 118.6404 59.1168 28.6412 179.2339 95 K 4.0967 8.2352 119.3804 59.3453 32.1557 179.6680 96 I 4.3339 8.0725 121.7392 64.0324 36.8995 178.7027 97 K 4.1368 8.4505 118.7067 59.2813 31.9769 179.2582 98 S 4.3703 8.4197 113.7251 59.3713 63.0659 175.4364 99 G 3.9699 7.7741 110.0803 45.5628 0.0000 174.1183 100 E 4.1381 7.8546 121.3420 58.3171 30.0883 176.7628 101 E 4.8079 8.2792 116.6935 53.7067 33.9527 174.2312 102 D 5.1023 8.3016 120.8544 51.9040 42.8191 177.1134 103 F 3.9924 8.8674 122.4625 62.0629 39.2862 177.5087 104 E 4.2633 8.4295 117.2626 59.2706 29.4289 179.0657 105 S 4.1135 8.1787 112.9677 61.0852 62.4440 176.1892 106 L 3.9515 7.8078 121.4596 57.3887 41.3149 179.2412 107 A 3.7350 8.0626 121.1762 55.1204 17.8837 179.8339 108 S 4.2202 7.9372 113.6005 61.9827 62.6828 177.0180 109 Q 3.9423 7.4702 118.9256 57.7101 28.4725 176.8538 110 F 4.9679 7.8434 114.5757 56.5378 41.0806 175.2740 111 S 4.4151 8.1138 116.4112 58.5401 62.5369 173.3783 112 D 4.4679 8.9607 126.6721 54.5795 40.9934 175.9005 113 C 4.7051 7.7484 120.6884 57.9396 33.0546 174.5431 114 S 4.2061 8.7096 120.6246 60.9387 62.5456 176.3517 115 S 4.2350 8.2615 117.3518 60.3161 62.6812 175.5474 116 A 3.9440 8.2179 125.5921 55.7168 17.8028 179.5931 117 K 3.8670 7.7873 114.9273 57.9065 32.4223 177.5483 118 A 4.6639 7.6779 122.5269 52.0627 19.5821 176.5841 119 R 3.6427 8.1784 114.2580 57.6021 28.5392 178.2451 120 G 4.1841 8.4471 105.4865 46.3566 0.0000 173.8917 121 D 4.9123 7.7730 119.5499 53.9926 41.4855 175.8259 122 L 4.4116 8.9537 125.8342 54.0239 42.3455 177.6523 123 G 3.8211 8.6588 108.4169 44.4637 0.0000 172.2432 124 A 4.7466 8.2454 119.6960 51.3523 20.3950 176.8753 125 F 5.1079 8.5978 114.2423 56.0354 41.7232 173.0028 126 S 5.5298 9.2501 114.0777 55.3201 66.3592 173.7115 127 R 4.2429 8.2479 118.7577 57.5033 30.1177 177.5416 128 G 4.0619 9.1089 109.3305 45.4404 0.0000 174.4297 129 Q 4.3366 7.5289 117.0699 56.8700 30.0014 175.8261 130 M 4.4173 7.5904 115.3053 53.0514 34.4729 175.9431 131 Q 4.0302 8.3497 118.4193 56.6092 30.5156 178.4655 132 K 4.0192 8.6950 124.2728 59.3660 32.5210 177.5237 133 P 4.3743 0.0000 0.0000 65.2234 31.1853 178.4925 134 F 3.9685 8.1911 119.3100 61.1500 39.3664 176.7011 135 E 4.2970 8.8587 119.4129 59.4896 29.2837 178.2968 136 D 4.4356 8.6350 117.7386 57.4487 41.3727 178.4485 137 A 4.0787 7.8493 120.5885 55.2897 18.5474 179.5673 138 S 3.9385 8.1741 113.9575 62.0087 62.8329 176.8592 139 F 4.1037 8.4928 117.1997 58.8276 38.9179 176.8033 140 A 4.3895 7.5908 119.1242 52.2164 19.5057 177.6580 141 L 4.2683 6.7939 116.2683 54.6778 42.4664 177.3524 142 R 4.2788 9.0420 121.5799 55.4395 31.0169 176.4505 143 T 3.9416 8.1961 116.9126 65.6110 68.7549 174.7942 144 G 3.9305 9.2132 115.2129 44.9531 0.0000 173.0907 145 E 4.4945 8.2186 121.1242 55.4438 31.4687 174.5162 146 M 5.1995 8.4129 123.9497 53.6623 34.8227 175.4758 147 S 4.4107 9.0010 120.7560 57.9011 64.7421 174.0679 148 G 4.1440 7.9546 107.6378 44.6135 0.0000 171.1319 149 P 4.5735 0.0000 0.0000 62.8633 32.0689 176.1686 150 V 4.5125 8.8572 125.4896 61.0823 34.0035 174.0556 151 F 5.3365 9.1865 126.5655 56.1370 41.0640 175.0635 152 T 4.8850 8.9870 112.3635 59.6629 72.1289 174.4811 153 D 4.5479 8.4456 119.2467 57.1174 40.8738 179.4805 154 S 4.1668 8.0321 115.1274 59.4888 63.9474 175.1414 155 G 3.8147 6.3841 109.0899 45.4091 0.0000 171.5912 156 I 4.6890 8.1462 124.4755 59.7696 39.9986 174.8288 157 H 5.5734 9.4867 123.9630 54.1360 32.5266 173.0403 158 I 4.8480 8.6331 121.1743 59.7535 39.8687 174.6841 159 I 4.9524 8.8349 127.8904 59.3254 40.2376 174.2387 160 L 4.8416 8.8667 128.7078 53.0171 44.6484 175.0192 161 R 4.6614 8.7320 128.0576 56.2310 30.5136 176.4526 162 T 4.5970 8.9608 116.7374 61.8952 70.9429 174.6030 163 E 4.1447 7.6562 126.7873 56.7035 30.6936 174.6861 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 L 8.18 4.19 0.00 1.73 1.66 1.10 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.33 0.00 2.53 2.07 0.00 3.42 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 9 P 0.00 4.29 0.00 2.06 2.05 0.00 3.72 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 2.07 2.15 0.00 10 G 9.03 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.57 4.77 0.00 3.31 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 12 E 9.49 4.77 0.00 1.16 1.66 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 2.01 2.25 0.00 13 K 8.67 4.35 0.00 1.80 1.65 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 0.85 7.81 14 A 8.43 4.68 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 15 M 8.35 4.84 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 16 S 9.54 4.59 0.00 4.24 4.20 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 17 R 8.74 4.50 0.00 1.98 2.06 0.00 3.07 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 18 S 8.27 4.37 0.00 3.96 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 19 S 7.77 4.44 0.00 3.94 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 20 G 8.13 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 0.00 0.00 0.00 21 R 7.83 4.31 0.00 1.74 1.96 0.00 2.86 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 22 V 8.58 4.30 2.14 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 0.56 0.00 0.00 0.94 0.00 0.00 23 Y 8.84 5.09 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 24 Y 9.35 5.29 0.00 3.04 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 25 F 9.54 5.69 0.00 3.19 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 26 N 8.85 4.99 0.00 1.44 1.73 0.00 0.00 7.24 8.63 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 27 H 8.75 4.65 0.00 3.20 3.57 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.98 4.08 1.80 0.00 0.00 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 1.32 0.36 0.92 0.00 0.00 29 T 7.71 4.19 4.13 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 1.08 0.00 0.00 30 N 8.45 4.13 0.00 3.10 2.99 0.00 0.00 6.75 7.16 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 31 A 7.54 4.39 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 32 S 8.51 5.55 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.13 4.57 0.00 2.43 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 34 W 8.83 4.51 0.00 3.44 3.39 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 35 E 8.18 4.33 0.00 1.94 1.87 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 2.36 2.44 0.00 36 R 8.29 2.57 0.00 1.47 1.59 0.00 3.12 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.00 37 P 0.00 4.00 0.00 1.12 0.49 0.00 2.67 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.00 38 S 8.22 3.73 0.00 3.91 3.71 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 *51 E 8.64 4.09 0.00 2.03 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 2.21 2.45 0.00 52 P 0.00 4.58 0.00 2.42 2.03 0.00 4.04 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 53 A 8.59 4.27 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 54 R 7.79 5.18 0.00 1.62 1.72 0.00 3.17 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 55 V 7.92 4.33 1.62 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 -0.24 0.00 0.00 -0.44 0.00 0.00 56 R 8.18 4.91 0.00 1.76 1.72 0.00 3.06 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 57 C 8.81 5.40 0.00 3.29 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 58 S 8.70 5.62 0.00 3.77 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 59 H 9.32 5.62 0.00 3.74 3.81 0.00 5.22 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.27 4.90 0.00 1.35 1.52 0.48 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.76 5.14 0.00 1.75 1.44 0.77 0.52 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 62 V 8.88 4.77 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 0.92 0.00 0.00 1.07 0.00 0.00 63 K 9.01 4.74 0.00 1.77 1.65 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.33 7.81 64 H 8.93 4.92 0.00 3.37 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.03 4.08 0.00 3.96 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 0.00 66 Q 8.15 4.46 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 67 S 7.72 4.32 0.00 3.80 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 68 R 8.58 3.94 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 69 R 7.51 4.40 0.00 1.74 1.77 0.00 3.29 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 70 P 0.00 4.61 0.00 2.24 2.19 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 71 S 7.32 4.81 0.00 3.79 3.71 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 72 S 8.67 4.61 0.00 3.98 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 73 W 8.68 4.33 0.00 3.54 3.25 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 74 R 6.65 3.49 0.00 1.33 1.46 0.00 2.92 0.00 0.00 2.92 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.61 4.27 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 76 E 9.10 3.79 0.00 1.96 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 2.29 2.31 0.00 77 K 7.75 4.39 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 78 I 8.76 4.30 1.86 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 1.50 0.73 0.88 0.00 0.00 79 T 8.27 4.49 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 80 R 7.72 4.18 0.00 2.09 2.08 0.00 3.11 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 81 T 9.13 4.32 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 82 K 8.59 3.62 0.00 1.63 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.42 7.81 83 E 8.14 3.92 0.00 2.06 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 2.36 2.53 0.00 84 E 8.26 3.94 0.00 2.21 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 2.29 2.30 0.00 85 A 8.25 3.93 1.41 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 0.00 0.00 86 L 8.20 3.84 0.00 1.84 1.88 0.97 1.41 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 87 E 8.28 3.99 0.00 1.95 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 2.40 2.45 0.00 88 L 7.75 3.51 0.00 1.67 1.22 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.72 3.67 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.89 0.00 0.00 90 N 8.50 4.40 0.00 2.77 2.83 0.00 0.00 6.98 7.26 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 91 G 7.89 3.49 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 0.00 92 Y 7.67 4.42 0.00 3.17 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 93 I 8.01 3.80 2.06 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 1.62 0.71 0.96 0.00 0.00 94 Q 8.19 4.04 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 95 K 8.24 4.10 0.00 2.05 1.94 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.77 7.81 96 I 8.07 4.33 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.44 1.06 0.00 0.00 97 K 8.45 4.14 0.00 1.80 1.94 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.63 7.81 98 S 8.42 4.37 0.00 4.03 4.09 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 99 G 7.77 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 0.00 100 E 7.85 4.14 0.00 1.97 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 2.36 2.31 0.00 101 E 8.28 4.81 0.00 2.07 1.80 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 2.28 2.46 0.00 102 D 8.30 5.10 0.00 2.98 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 0.00 103 F 8.87 3.99 0.00 3.25 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 0.00 104 E 8.43 4.26 0.00 2.30 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 2.50 2.66 0.00 105 S 8.18 4.11 0.00 3.91 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 0.00 106 L 7.81 3.95 0.00 1.59 1.30 0.95 0.78 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 0.00 107 A 8.06 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.94 4.22 0.00 3.90 3.81 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 0.00 109 Q 7.47 3.94 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 110 F 7.84 4.97 0.00 2.70 2.90 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 0.00 111 S 8.11 4.42 0.00 3.82 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 0.00 112 D 8.96 4.47 0.00 2.60 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 0.00 113 C 7.75 4.71 0.00 3.02 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 0.00 114 S 8.71 4.21 0.00 4.06 4.19 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 0.00 115 S 8.26 4.23 0.00 4.30 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 0.00 116 A 8.22 3.94 1.55 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 0.00 0.00 117 K 7.79 3.87 0.00 1.58 1.70 0.00 1.23 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.27 7.81 118 A 7.68 4.66 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 0.00 119 R 8.18 3.64 0.00 2.03 2.06 0.00 3.17 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 120 G 8.45 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 0.00 0.00 0.00 121 D 7.77 4.91 0.00 2.72 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 0.00 122 L 8.95 4.41 0.00 1.99 1.74 0.77 1.21 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 0.00 123 G 8.66 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 0.00 0.00 0.00 124 A 8.25 4.75 1.19 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 0.00 0.00 125 F 8.60 5.11 0.00 3.18 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 0.00 126 S 9.25 5.53 0.00 4.03 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 0.00 127 R 8.25 4.24 0.00 1.60 1.80 0.00 2.84 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 128 G 9.11 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 0.00 0.00 0.00 129 Q 7.53 4.34 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 130 M 7.59 4.42 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 131 Q 8.35 4.03 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 132 K 8.69 4.02 0.00 1.89 1.84 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.63 7.81 133 P 0.00 4.37 0.00 2.39 2.17 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 134 F 8.19 3.97 0.00 3.03 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 0.00 135 E 8.86 4.30 0.00 2.23 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 0.00 2.49 2.71 0.00 136 D 8.64 4.44 0.00 2.76 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 0.00 137 A 7.85 4.08 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.17 3.94 0.00 4.27 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 0.00 139 F 8.49 4.10 0.00 3.16 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 0.00 140 A 7.59 4.39 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 0.00 141 L 6.79 4.27 0.00 1.77 1.56 0.87 0.86 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 0.00 142 R 9.04 4.28 0.00 2.06 1.83 0.00 3.26 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 143 T 8.20 3.94 4.20 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 1.16 0.00 0.00 144 G 9.21 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 0.00 145 E 8.22 4.49 0.00 2.29 1.83 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 2.34 2.31 0.00 146 M 8.41 5.20 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 147 S 9.00 4.41 0.00 4.02 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 0.00 148 G 7.95 4.14 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 0.00 149 P 0.00 4.57 0.00 1.98 1.85 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 150 V 8.86 4.51 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 0.96 0.00 0.00 0.94 0.00 0.00 151 F 9.19 5.34 0.00 2.95 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 0.00 152 T 8.99 4.88 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 1.35 0.00 0.00 153 D 8.45 4.55 0.00 2.95 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 0.00 154 S 8.03 4.17 0.00 3.91 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 0.00 155 G 6.38 3.81 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 0.00 0.00 0.00 156 I 8.15 4.69 1.72 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 0.81 0.62 0.35 0.00 0.00 157 H 9.49 5.57 0.00 3.12 3.47 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.63 4.85 2.14 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 1.35 0.83 1.22 0.00 0.00 159 I 8.83 4.95 1.70 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.58 0.64 0.00 0.00 160 L 8.87 4.84 0.00 0.79 0.57 0.78 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.73 4.66 0.00 1.80 1.85 0.00 3.04 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 162 T 8.96 4.60 4.19 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 1.13 0.00 0.00 163 E 7.66 4.14 0.00 1.90 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 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.