NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8661 8.0544 114.0345 61.1068 32.9497 173.9921 2 E 4.4016 7.9810 121.5547 53.5464 31.9620 173.5847 3 W 5.1071 8.3378 124.8125 54.8043 33.0748 175.9022 4 T 4.4045 9.8428 114.9852 61.3621 70.9066 175.4185 5 D 4.4854 8.5063 119.7470 56.7885 40.9456 178.9406 6 K 3.9818 8.0321 119.9857 59.3813 32.2585 178.5558 7 E 4.0264 8.6661 119.2316 59.6803 29.3859 179.3532 8 R 3.7281 7.8279 117.6469 59.4387 29.9999 179.1335 9 S 4.0661 8.2204 112.7080 61.2210 62.4132 176.2134 10 I 3.6806 7.7620 122.4774 64.5529 36.9177 178.3897 11 I 3.8239 7.6517 120.5212 64.5521 36.9788 178.4961 12 S 4.0356 7.7878 113.7245 61.2430 62.3200 175.7159 13 D 4.1999 8.3640 120.9589 57.3557 40.7970 177.8906 14 I 3.6207 8.0174 119.2656 64.8550 37.3510 178.1009 15 F 4.2501 8.4439 118.4479 60.4314 38.5033 177.9798 16 S 4.2158 7.9757 112.7551 61.2943 63.0313 175.4767 17 H 4.5099 7.9570 117.2717 55.7986 29.1716 175.0127 18 M 4.1299 7.1213 121.5715 54.8072 33.0461 175.7096 19 D 4.6204 8.3498 124.8248 52.8778 41.9374 176.2231 20 Y 4.3878 8.3639 126.0563 61.4775 37.8114 178.3230 21 D 4.4590 8.0492 117.8089 56.1736 41.1861 177.2089 22 D 4.6732 7.9748 117.8122 56.1629 42.2773 178.1256 23 I 3.9105 7.8826 120.3962 64.2873 37.1496 178.1316 24 G 3.7789 8.3597 106.7348 47.9302 0.0000 173.7629 25 P 4.2803 0.0000 0.0000 64.7479 31.4619 179.0569 26 K 3.9323 7.7572 115.7698 59.2792 32.0119 179.3137 27 A 3.9716 8.1150 121.1472 55.0534 18.2537 179.5180 28 L 3.8527 7.7428 118.3861 58.2209 41.6971 179.1768 29 S 3.9880 7.8985 115.1595 61.7359 62.7567 176.7337 30 R 3.8201 7.9468 121.1730 59.5227 29.7729 178.1117 31 C 4.1613 8.0044 118.4415 62.4837 31.3625 175.5963 32 L 4.0185 8.0288 121.9802 56.8271 40.8790 179.3174 33 I 3.7910 7.2801 119.1181 63.7265 37.4220 178.0206 34 V 3.5365 7.7412 118.5772 64.1438 32.8658 175.7287 35 Y 3.7786 7.1873 115.8829 53.7915 37.9021 173.8589 36 P 4.4210 0.0000 0.0000 64.6217 31.6431 177.3200 37 W 4.5241 7.7326 113.3903 58.5262 28.1967 177.4804 38 T 4.3071 7.6987 110.7555 63.7625 68.5729 176.5636 39 Q 4.2047 8.1567 121.7757 58.7259 28.7535 178.5678 40 R 4.0294 7.9769 115.8954 58.8892 29.5808 177.8979 41 H 4.3267 7.7590 112.9731 57.0366 28.5280 175.4960 42 F 4.8074 7.9966 117.9855 57.3752 39.8898 176.5959 43 S 4.5851 8.0780 118.5092 55.0360 61.0151 175.2697 44 G 4.7156 7.7081 126.6276 46.3922 0.0000 171.5379 *53 A 4.2539 6.7578 122.6255 52.0547 21.4598 179.6962 54 I 3.5934 7.4764 114.1797 63.6377 38.0949 179.0211 55 I 3.7123 7.2896 119.5374 63.2698 36.9817 176.8810 56 G 3.8351 7.3631 106.2210 45.3296 0.0000 173.5485 57 N 4.4395 7.8671 119.5022 53.0037 39.6265 175.2405 58 A 4.0570 8.6773 130.6127 55.3061 18.5591 178.9018 59 N 4.3764 8.7842 115.6218 56.3775 38.5445 177.7878 60 V 3.3100 8.0327 118.9700 65.7162 31.5785 177.5577 61 A 3.9298 8.0060 120.2269 55.2613 18.2621 179.1832 62 A 3.9694 8.3799 119.5003 55.9739 18.5168 179.4509 63 H 4.3915 8.4521 116.4625 59.0294 29.9737 177.7061 64 G 3.6072 8.3329 108.2362 47.8670 0.0000 175.7940 65 I 3.9166 8.1276 122.6617 64.0606 37.1293 178.7388 66 K 4.1223 8.0786 119.3784 59.2446 31.7185 179.6102 67 V 3.6038 7.6826 118.6496 65.9249 31.4595 178.1506 68 L 3.8490 7.4751 117.3491 58.1159 41.2340 179.2392 69 H 4.3547 8.2013 116.2122 58.6390 28.3694 178.2070 70 G 3.7213 8.2531 107.8508 47.8292 0.0000 175.9494 71 L 4.4984 8.2915 122.9583 56.8527 41.3673 179.0417 72 D 4.1124 7.9899 117.6968 57.2213 41.3058 177.8075 73 R 4.0868 7.8041 119.3677 59.5310 30.0413 178.7731 74 G 3.7462 7.8582 104.0563 47.7691 0.0000 175.8863 75 V 3.2291 7.3360 119.4082 65.1455 31.4956 177.3305 76 K 4.3072 7.3659 115.5766 56.3713 33.2275 176.8595 77 N 5.0316 7.8290 117.3644 52.2380 39.6451 176.0403 78 M 4.1117 7.9742 117.7328 57.7806 32.5127 177.5762 79 D 5.0213 7.9916 116.3236 54.2154 40.7811 176.0480 80 N 5.0884 8.1346 118.7045 51.7185 39.5404 175.9888 81 I 3.7688 8.0978 122.2611 64.5866 37.8955 177.6269 82 A 4.0479 8.2089 120.9154 55.5253 18.2684 179.4357 83 A 4.0480 7.5580 116.4793 55.4081 18.2348 179.9750 84 T 3.8647 7.5602 112.9946 65.7340 68.5385 174.8987 85 Y 4.6524 7.2567 115.7028 57.4496 39.0510 177.0172 86 A 4.0707 7.8580 123.4394 55.3557 18.3493 179.7994 87 D 4.2815 8.0750 116.7629 56.9315 39.4422 178.6803 88 L 4.1123 8.0083 120.6673 57.0099 41.5287 179.3360 89 S 4.0390 8.4676 113.4510 61.8492 62.4348 176.3036 90 T 3.8708 7.8686 118.3378 66.4513 68.2406 176.3363 91 L 3.9288 8.0126 122.0885 58.7398 42.1343 178.9281 92 H 4.2741 8.5358 116.1492 59.3386 28.5005 176.6157 93 S 4.4250 8.7460 116.4043 60.5769 61.8488 175.5443 94 E 3.9347 8.5976 125.6248 58.3951 30.0902 178.1424 95 K 4.2626 7.8961 117.4395 56.4491 33.3443 176.3682 96 L 4.3714 7.5441 116.5359 53.9345 43.3201 175.7849 97 H 4.1430 7.4744 114.3909 56.6689 26.3166 175.2060 98 V 3.8733 7.9123 119.0291 61.3178 32.4637 174.9755 99 D 4.4755 8.5901 127.1727 53.5805 41.7492 175.2221 100 P 4.5321 0.0000 0.0000 65.9792 31.2638 178.2409 101 D 4.3387 8.6445 118.1342 57.1237 41.0987 177.7120 102 N 4.2995 8.0301 117.0971 56.0852 38.3754 177.2357 103 F 4.2966 7.5297 119.6193 60.0472 38.9943 177.6902 104 K 3.9553 8.0071 118.9612 59.4111 31.9495 178.7095 105 L 3.7056 7.5924 118.7521 57.7698 41.6171 179.3603 106 L 3.9878 7.9813 120.1477 58.0036 42.0185 178.9318 107 S 4.1138 8.1589 113.3175 61.5830 62.3932 175.9796 108 D 4.5031 8.1513 121.4088 57.4984 40.4980 178.5323 109 C 4.2851 8.0107 117.3442 62.4505 28.1133 176.1844 110 I 3.7708 7.8123 121.4898 64.5675 36.6432 178.3787 111 T 4.0979 7.9980 116.3966 67.0634 68.4396 176.7659 112 I 3.6540 7.8974 121.4894 64.2105 37.1582 178.8046 113 V 3.5074 7.9256 119.2999 65.7611 31.3136 177.8861 114 L 3.6937 8.2236 120.3310 57.8154 41.8100 178.7728 115 A 2.9494 7.6278 120.8072 54.8193 18.0493 179.5473 116 A 3.9056 7.4971 117.9156 54.6895 18.4159 179.4608 117 K 3.9932 7.3996 117.4530 59.6396 32.7772 178.4780 118 M 4.2312 8.2851 117.7884 55.5131 32.4937 177.8150 119 G 3.6403 8.3386 108.8146 46.6393 0.0000 176.5419 120 H 4.3454 8.8280 119.9931 57.8674 28.5981 175.8997 121 A 4.1951 8.0130 121.3384 53.4908 18.9084 177.9775 122 F 4.6186 7.9395 120.9273 56.7590 37.9324 175.4122 123 T 4.0878 7.3407 115.2501 61.0227 71.1073 174.9490 124 A 3.9003 8.4519 123.0268 55.4315 18.4029 179.5544 125 E 3.8353 8.0327 117.0767 59.7981 29.7771 179.0509 126 T 3.8216 7.6895 115.7892 66.5173 68.3419 176.4694 127 Q 3.5439 7.9676 122.0740 58.7498 29.0092 178.5530 128 G 3.6146 8.3089 106.8192 47.9038 0.0000 175.6056 129 A 4.2259 7.9951 123.4997 54.6472 18.3604 179.5257 130 F 4.4238 8.4281 119.3036 61.7908 39.5050 177.4918 131 Q 4.0242 8.6906 118.0301 58.6988 28.4765 178.6505 132 K 3.9843 8.2668 120.8964 59.3169 32.2663 178.6891 133 F 4.6412 8.6305 120.9995 61.5964 39.3636 177.1646 134 L 3.6047 8.0479 118.4141 57.3532 41.3045 179.3359 135 A 3.8994 8.1000 120.9543 55.1962 18.3797 179.8704 136 V 3.4827 7.7524 116.7037 66.1102 31.6311 178.4284 137 V 3.2594 7.3543 118.0023 65.7888 31.2717 178.1911 138 V 3.3231 7.9412 118.4506 65.9165 31.0760 178.2311 139 S 4.0663 7.8064 114.0193 61.4744 62.7177 176.2156 140 A 4.0948 7.4918 122.1273 54.9620 18.1924 179.3478 141 L 3.9462 7.6023 116.7779 56.2805 41.8616 178.3566 142 G 4.2493 7.7277 105.4370 45.2529 0.0000 173.5975 143 K 4.4107 7.8462 118.5511 57.3202 35.3290 175.4504 144 Q 4.1937 8.0795 122.7110 56.3829 28.5644 176.7408 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 1 V 8.05 3.87 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 0.67 0.00 0.00 0.50 0.00 0.00 2 E 7.98 4.40 0.00 1.82 1.65 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 2.14 2.44 0.00 3 W 8.34 5.11 0.00 3.29 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 4 T 9.84 4.40 4.30 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 1.33 0.00 0.00 5 D 8.51 4.49 0.00 2.77 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 6 K 8.03 3.98 0.00 1.89 1.84 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.63 7.81 7 E 8.67 4.03 0.00 2.45 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 2.50 2.48 0.00 8 R 7.83 3.73 0.00 1.99 1.90 0.00 3.29 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.90 0.00 9 S 8.22 4.07 0.00 3.89 4.08 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 10 I 7.76 3.68 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.94 0.00 0.00 11 I 7.65 3.82 1.62 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.32 0.00 0.00 12 S 7.79 4.04 0.00 3.77 4.02 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 13 D 8.36 4.20 0.00 2.77 2.81 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 14 I 8.02 3.62 2.14 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 1.46 0.77 0.50 0.00 0.00 15 F 8.44 4.25 0.00 3.09 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 16 S 7.98 4.22 0.00 4.09 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 17 H 7.96 4.51 0.00 3.13 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.12 4.13 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 19 D 8.35 4.62 0.00 2.71 2.54 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 20 Y 8.36 4.39 0.00 2.97 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 21 D 8.05 4.46 0.00 2.78 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 22 D 7.97 4.67 0.00 2.69 2.75 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 0.00 0.00 0.00 23 I 7.88 3.91 1.88 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 1.62 0.66 0.86 0.00 0.00 24 G 8.36 3.78 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 0.00 0.00 0.00 25 P 0.00 4.28 0.00 2.16 2.10 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 26 K 7.76 3.93 0.00 1.94 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.59 7.81 27 A 8.11 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.85 0.00 1.74 1.57 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.90 3.99 0.00 4.05 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 30 R 7.95 3.82 0.00 1.93 2.07 0.00 3.06 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 31 C 8.00 4.16 0.00 3.17 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 32 L 8.03 4.02 0.00 1.75 1.62 0.66 0.75 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 33 I 7.28 3.79 1.76 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 1.34 0.57 0.82 0.00 0.00 34 V 7.74 3.54 1.49 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 -0.02 0.00 0.00 0.74 0.00 0.00 35 Y 7.19 3.78 0.00 2.61 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 36 P 0.00 4.42 0.00 2.27 2.16 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 37 W 7.73 4.52 0.00 3.44 3.34 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 38 T 7.70 4.31 4.31 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 1.11 0.00 0.00 39 Q 8.16 4.20 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 40 R 7.98 4.03 0.00 1.95 2.21 0.00 3.06 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.29 0.00 41 H 7.76 4.33 0.00 2.83 2.94 0.00 5.59 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 42 F 8.00 4.81 0.00 3.15 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 43 S 8.08 4.59 0.00 3.93 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 44 G 7.71 4.72 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 *53 A 6.76 4.25 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 54 I 7.48 3.59 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.82 0.00 0.00 55 I 7.29 3.71 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.07 0.88 0.00 0.00 56 G 7.36 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 0.00 0.00 0.00 57 N 7.87 4.44 0.00 2.92 2.81 0.00 0.00 7.03 7.92 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 58 A 8.68 4.06 1.34 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 59 N 8.78 4.38 0.00 2.94 2.99 0.00 0.00 6.56 7.40 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 60 V 8.03 3.31 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 0.92 0.00 0.00 0.65 0.00 0.00 61 A 8.01 3.93 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 62 A 8.38 3.97 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 63 H 8.45 4.39 0.00 3.46 3.56 0.00 5.60 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 64 G 8.33 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.13 3.92 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 1.09 0.00 0.00 66 K 8.08 4.12 0.00 1.98 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.73 7.81 67 V 7.68 3.60 2.24 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 1.12 0.00 0.00 0.92 0.00 0.00 68 L 7.48 3.85 0.00 1.72 0.66 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.20 4.35 0.00 3.33 3.45 0.00 5.81 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 70 G 8.25 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 71 L 8.29 4.50 0.00 2.11 2.13 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.99 4.11 0.00 2.92 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 73 R 7.80 4.09 0.00 1.89 2.00 0.00 2.80 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 74 G 7.86 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.34 3.23 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 0.50 0.00 0.00 -0.49 0.00 0.00 76 K 7.37 4.31 0.00 1.79 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.53 7.81 77 N 7.83 5.03 0.00 2.62 2.66 0.00 0.00 6.97 8.34 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 78 M 7.97 4.11 0.00 1.24 1.82 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.21 0.00 79 D 7.99 5.02 0.00 2.70 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 80 N 8.13 5.09 0.00 2.76 2.65 0.00 0.00 7.19 7.41 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 81 I 8.10 3.77 2.02 0.00 0.00 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 1.75 1.14 1.12 0.00 0.00 82 A 8.21 4.05 1.34 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 83 A 7.56 4.05 1.32 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 0.00 0.00 0.00 84 T 7.56 3.86 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 0.68 0.00 0.00 85 Y 7.26 4.65 0.00 3.14 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 86 A 7.86 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.28 0.00 2.90 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 88 L 8.01 4.11 0.00 1.99 1.86 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.47 4.04 0.00 4.01 4.03 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 90 T 7.87 3.87 4.26 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 1.22 0.00 0.00 91 L 8.01 3.93 0.00 1.78 1.88 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.54 4.27 0.00 3.47 3.58 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.75 4.42 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 94 E 8.60 3.93 0.00 1.97 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 0.00 2.33 2.29 0.00 95 K 7.90 4.26 0.00 1.71 1.92 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.40 7.81 96 L 7.54 4.37 0.00 1.87 1.60 0.84 0.84 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 97 H 7.47 4.14 0.00 3.29 3.39 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.91 3.87 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 0.21 0.00 0.00 0.70 0.00 0.00 99 D 8.59 4.48 0.00 2.82 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 0.00 100 P 0.00 4.53 0.00 2.38 2.42 0.00 3.77 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 2.10 2.07 0.00 101 D 8.64 4.34 0.00 2.85 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 0.00 102 N 8.03 4.30 0.00 2.55 2.63 0.00 0.00 6.91 8.21 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 0.00 103 F 7.53 4.30 0.00 3.13 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 0.00 104 K 8.01 3.96 0.00 1.80 1.86 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.47 7.81 105 L 7.59 3.71 0.00 1.64 1.03 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.98 3.99 0.00 1.78 1.78 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.16 4.11 0.00 4.10 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 0.00 108 D 8.15 4.50 0.00 2.99 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 0.00 109 C 8.01 4.29 0.00 3.14 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 0.00 110 I 7.81 3.77 2.17 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 1.58 0.85 1.15 0.00 0.00 111 T 8.00 4.10 4.59 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 1.53 0.00 0.00 112 I 7.90 3.65 1.88 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 1.43 0.96 0.88 0.00 0.00 113 V 7.93 3.51 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 0.92 0.00 0.00 0.95 0.00 0.00 114 L 8.22 3.69 0.00 1.55 1.23 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.63 2.95 1.05 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 0.00 0.00 116 A 7.50 3.91 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 0.00 117 K 7.40 3.99 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 118 M 8.29 4.23 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 119 G 8.34 3.64 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 0.00 120 H 8.83 4.35 0.00 3.19 3.37 0.00 5.70 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 0.00 121 A 8.01 4.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.62 0.00 2.86 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 0.00 123 T 7.34 4.09 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 1.26 0.00 0.00 124 A 8.45 3.90 1.32 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 0.00 0.00 0.00 125 E 8.03 3.84 0.00 2.03 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 2.37 2.41 0.00 126 T 7.69 3.82 4.08 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 1.10 0.00 0.00 127 Q 7.97 3.54 0.00 1.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 128 G 8.31 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.00 4.23 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 0.00 130 F 8.43 4.42 0.00 3.31 3.42 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 0.00 131 Q 8.69 4.02 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 132 K 8.27 3.98 0.00 2.03 2.21 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.36 7.81 133 F 8.63 4.64 0.00 3.26 3.26 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 0.00 134 L 8.05 3.60 0.00 1.56 1.53 0.72 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.10 3.90 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 0.00 136 V 7.75 3.48 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 1.08 0.00 0.00 1.01 0.00 0.00 137 V 7.35 3.26 1.69 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 0.16 0.00 0.00 0.17 0.00 0.00 138 V 7.94 3.32 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 0.97 0.00 0.00 0.92 0.00 0.00 139 S 7.81 4.07 0.00 4.00 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 0.00 140 A 7.49 4.09 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 0.00 141 L 7.60 3.95 0.00 0.70 0.31 0.20 0.32 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 0.00 142 G 7.73 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 0.00 0.00 0.00 0.00 143 K 7.85 4.41 0.00 1.92 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.40 7.81 144 Q 8.08 4.19 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.32 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.