NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.6177 8.5445 117.3699 54.5148 29.5779 177.8916 4 M 4.2815 8.7346 123.9659 55.4938 33.4815 175.2352 5 K 3.9591 9.2347 118.4475 61.6134 32.6097 177.6641 6 H 4.0578 8.1374 115.5284 59.2889 28.5677 177.6598 7 T 3.8376 7.8282 116.6124 66.7287 68.4039 176.0694 8 E 3.9104 8.2056 120.4241 59.5521 29.6746 179.4825 9 L 3.8740 8.0609 118.8529 58.1025 41.7058 179.9601 10 R 4.0144 8.0652 117.5146 58.9683 29.8513 179.0961 11 A 3.9134 8.2299 120.6429 54.9991 18.3312 179.1679 12 A 3.9428 7.9590 119.2963 55.4814 18.4217 179.9749 13 V 3.4762 7.2825 114.9799 66.2198 31.6697 178.0710 14 L 3.9584 8.2226 119.0340 57.9980 41.1015 179.3899 15 D 4.1966 8.6974 118.9691 57.2960 40.8566 178.7317 16 A 3.9767 8.1732 121.4513 55.1530 18.0974 179.7298 17 L 4.1014 8.4905 120.4329 58.4894 41.4639 180.1082 18 E 3.7466 7.7293 119.7305 60.8755 29.8957 182.1294 19 K 4.4142 7.5476 122.2374 59.9664 31.5903 182.6381 20 H 4.4648 7.9148 114.7699 55.4892 30.3952 174.6737 21 D 4.4095 8.4210 120.7159 55.5837 37.5208 176.2572 22 T 3.8921 7.7806 111.9904 62.2592 68.9026 177.6535 23 G 3.9860 8.2555 105.7100 46.8288 0.0000 172.8022 24 A 4.8113 7.2756 118.9118 49.9959 22.4496 177.6809 25 T 4.1987 8.1720 115.9866 62.3941 68.4905 175.0789 26 F 4.6854 8.5528 124.9682 57.3741 40.3780 175.0578 27 F 4.6916 9.5090 120.4264 55.8581 42.5239 173.8461 28 D 4.9083 9.0116 124.7071 56.6815 40.6451 175.9873 29 G 4.0385 9.1971 112.8408 44.2877 0.0000 171.8288 30 R 3.5951 7.8614 120.1922 54.9195 30.0294 174.7381 31 P 3.9019 0.0000 0.0000 62.3604 31.2236 175.1196 32 A 3.8993 7.3840 125.5037 53.4580 19.4657 178.8178 33 V 4.1499 6.9579 113.2080 58.9973 33.6984 177.4380 34 F 5.0262 8.3397 116.9267 56.3549 42.7732 174.1194 35 D 4.9935 9.1575 121.3948 52.1705 43.9715 176.4616 36 E 4.1593 9.1638 125.2271 59.7743 29.6693 179.3772 37 A 4.1303 7.6511 119.6099 54.9168 18.7730 178.5273 38 D 4.4404 7.8586 115.4713 56.8874 40.9379 177.4062 39 F 4.5346 6.0660 115.6807 57.3011 39.6549 173.5692 40 P 4.7083 0.0000 0.0000 62.7021 32.6754 175.1308 41 A 5.1515 8.8265 124.6004 50.2642 22.7863 175.4527 42 V 5.0183 8.4470 117.7083 61.4929 34.9639 173.8472 43 A 5.5779 9.5645 130.2892 50.3451 21.9005 175.2249 44 V 4.8885 8.5271 121.2398 61.3674 34.5025 174.1081 45 Y 5.0871 7.8268 123.8494 56.6739 41.6245 172.7942 46 L 5.3987 8.7664 119.4011 53.4539 44.9182 175.9108 47 T 4.6759 8.7307 110.1022 59.7586 73.0001 173.4887 48 G 4.3236 8.7898 107.6767 46.2865 0.0000 174.1496 49 A 4.7925 8.1869 121.8878 51.4470 18.9030 177.8217 50 E 4.6191 9.4858 120.4476 54.9726 33.3046 174.8829 51 Y 2.5934 7.2539 122.8998 57.0175 39.7707 175.4395 52 T 4.0437 7.8522 115.4013 60.6868 70.0875 172.7239 53 G 3.8528 5.3800 107.8531 43.3048 0.0000 172.5633 54 E 5.0010 8.2804 118.6621 55.1929 31.6948 176.3072 55 E 4.6805 8.8522 119.6619 55.7247 30.5444 175.3129 56 L 3.3841 7.9306 113.0459 56.6949 39.4816 176.7746 *58 S 4.2709 7.9593 119.1863 59.4685 64.0596 174.9251 59 D 5.4248 8.5780 127.5237 52.3833 41.4755 173.2066 60 T 4.9213 9.5345 115.3030 59.2169 71.5696 173.7139 61 W 5.1387 9.3281 122.8399 55.0115 34.0788 173.8368 62 Q 5.1043 9.0352 121.3225 54.9539 32.4361 173.5002 63 A 4.8976 9.0050 125.3642 51.4640 24.1326 174.5331 64 E 4.9327 8.7550 119.7473 54.4609 31.8866 174.6914 65 L 4.6650 8.9265 131.1695 54.9845 43.0677 175.7579 66 H 5.0343 9.4098 124.8048 54.8392 31.8132 174.9267 67 I 4.5109 8.0598 120.0068 61.0375 40.6585 173.1660 68 E 4.7982 9.3611 129.5639 54.1121 32.3612 174.7037 69 V 4.5522 8.1578 126.6067 61.4924 33.9365 174.3659 70 F 5.0725 9.0598 125.8012 55.6434 42.0369 174.2655 71 L 4.9213 8.9394 122.8389 51.7257 45.9042 174.0694 72 P 4.0618 0.0000 0.0000 63.1550 31.8095 177.1221 *74 Q 4.0022 8.6452 123.0354 54.6724 28.7686 171.1033 75 V 4.6258 7.8506 122.0716 57.6232 34.9443 173.6518 76 P 4.3355 0.0000 0.0000 62.8748 31.6790 177.2969 77 D 4.4913 8.8119 123.3682 57.9959 40.5100 179.8354 78 S 4.1878 8.0400 119.1915 63.2567 62.3056 180.6468 79 E 4.2328 8.3978 122.9014 59.0093 29.3389 178.8787 80 L 4.0992 7.9281 118.6148 58.0808 41.7058 178.9906 81 D 5.0097 8.9334 120.0924 57.0296 40.7879 178.7919 82 A 4.1401 8.4748 121.4772 54.8283 18.2879 179.6030 83 W 3.9194 8.4565 127.0468 61.5905 30.8198 177.2872 84 M 4.1220 8.8161 120.8959 59.1669 31.0460 178.5706 85 E 4.7105 8.6014 123.7314 61.1963 30.3329 180.8687 86 S 4.6073 7.5378 109.8829 60.6940 62.7863 174.7923 87 R 4.3833 7.9087 117.2790 55.7020 32.1587 176.9112 88 I 4.0098 7.8731 119.6078 63.3425 37.2774 177.3130 89 Y 4.4621 7.7116 116.6359 61.2560 37.6745 177.3081 90 P 4.3120 0.0000 0.0000 66.0125 31.6749 178.2645 91 V 3.6354 7.8501 117.1620 65.8636 31.2237 177.6243 92 M 3.9956 8.2281 121.8160 59.3581 31.9674 179.0170 93 S 4.5914 7.8211 118.0460 62.6640 62.7373 178.1198 94 D 4.4585 8.1733 119.4426 52.7714 42.2099 174.8153 95 I 4.3169 7.7580 128.0728 57.8151 38.0371 173.7927 96 P 4.1715 0.0000 0.0000 66.0887 30.7225 177.7282 97 A 3.9095 8.0086 119.3361 54.5687 18.4506 178.9396 98 L 4.0448 7.9102 120.3976 58.8852 41.8670 179.6391 99 S 4.1381 8.1693 118.8892 63.5396 62.0873 177.7272 100 D 4.7422 8.6470 120.4222 55.7092 40.5251 177.5578 101 L 4.5664 7.8948 121.3278 55.3353 43.1129 177.1289 102 I 4.4444 7.0823 115.7612 58.9257 37.0401 178.8293 103 T 4.6516 8.9784 106.3788 62.0969 69.6019 174.1387 104 S 4.9027 7.4319 117.4975 58.9419 65.1935 175.6580 105 M 5.3116 8.5310 120.2600 54.6240 35.1534 174.0181 106 V 4.7484 8.7199 123.5144 60.0380 35.2688 173.7621 107 A 4.3365 8.9508 124.2413 52.9148 18.6832 175.5051 108 S 4.5118 8.7515 111.7999 58.8375 64.3573 174.8199 109 G 4.1530 7.7186 102.4916 45.6958 0.0000 170.0965 110 Y 4.7872 8.4250 119.7319 56.2420 41.5550 173.6888 111 D 5.3335 8.6429 126.6908 52.7450 44.3909 175.0408 112 Y 5.1620 8.6896 119.9956 57.0621 40.7337 176.0014 113 R 5.0281 9.2574 125.4303 56.1103 34.4512 172.5251 114 R 4.7089 8.2483 117.5743 55.8661 33.7996 176.0830 115 D 3.4772 7.4923 123.1127 53.3593 39.9548 176.4886 116 D 4.2920 8.4019 125.7635 56.7045 41.0838 177.4591 117 D 4.4406 7.8110 116.5594 55.1161 41.5705 176.5693 *119 G 4.0239 7.8011 110.2517 45.6373 0.0000 174.6835 120 L 4.1635 7.7028 119.4634 55.8234 41.8642 179.1701 121 W 5.2669 7.1156 115.1188 55.7697 32.0102 174.9809 122 S 5.3517 9.1566 119.3540 57.2382 66.0456 174.0042 123 S 5.3955 9.8411 115.6946 56.0966 67.1862 172.4849 124 A 4.9084 8.0745 120.8754 50.0467 22.3856 174.2944 125 D 4.7580 8.7736 122.5485 52.1280 43.9561 174.5031 126 L 4.3805 8.3162 129.6376 54.2313 43.6059 175.4624 127 T 4.9134 8.0686 115.4952 60.1324 72.1264 172.4427 128 Y 5.1832 8.8198 121.8862 56.2069 42.1984 174.5328 129 V 4.8181 8.9015 122.5241 61.4284 33.4813 174.7547 130 I 5.2914 8.8948 121.3663 59.3039 41.1832 174.4343 131 T 5.3960 8.3527 112.6035 60.5749 72.2147 172.3320 132 Y 4.8618 8.1077 120.6385 56.9374 42.0490 172.1862 133 E 5.2922 8.9188 118.2783 54.0741 32.0785 176.6946 134 M 4.1500 8.6327 122.1915 55.4903 32.2459 175.9519 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 *3 H 8.54 4.62 0.00 2.95 2.23 0.00 7.17 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.73 4.28 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.22 0.00 5 K 9.23 3.96 0.00 1.81 1.80 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.31 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.85 1.46 7.81 6 H 8.14 4.06 0.00 3.16 3.30 0.00 5.70 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 7 T 7.83 3.84 4.39 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 1.19 0.00 0.00 8 E 8.21 3.91 0.00 2.13 1.97 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 2.30 2.58 0.00 9 L 8.06 3.87 0.00 1.68 1.56 0.18 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.07 4.01 0.00 1.87 2.01 0.00 3.42 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 11 A 8.23 3.91 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 12 A 7.96 3.94 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 13 V 7.28 3.48 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 1.02 0.00 0.00 0.89 0.00 0.00 14 L 8.22 3.96 0.00 1.84 1.62 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.70 4.20 0.00 2.80 2.65 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 0.00 0.00 0.00 16 A 8.17 3.98 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 17 L 8.49 4.10 0.00 1.69 1.98 1.09 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.73 3.75 0.00 2.09 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 2.26 2.19 0.00 19 K 7.55 4.41 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 20 H 7.91 4.46 0.00 3.30 3.34 0.00 5.87 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.42 4.41 0.00 2.84 2.67 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 0.00 0.00 0.00 0.00 22 T 7.78 3.89 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 1.21 0.00 0.00 23 G 8.26 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 24 A 7.28 4.81 1.08 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 0.00 0.00 25 T 8.17 4.20 4.27 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 0.87 0.00 0.00 26 F 8.55 4.69 0.00 2.92 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 27 F 9.51 4.69 0.00 2.99 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 28 D 9.01 4.91 0.00 2.72 2.67 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 0.00 0.00 0.00 0.00 29 G 9.20 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 30 R 7.86 3.60 0.00 0.67 1.40 0.00 3.04 0.00 0.00 2.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 0.00 31 P 0.00 3.90 0.00 0.50 0.58 0.00 3.44 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.75 0.00 32 A 7.38 3.90 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 33 V 6.96 4.15 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 0.80 0.00 0.00 0.93 0.00 0.00 34 F 8.34 5.03 0.00 3.19 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 35 D 9.16 4.99 0.00 2.68 2.63 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 36 E 9.16 4.16 0.00 2.13 2.12 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 2.60 2.46 0.00 37 A 7.65 4.13 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 38 D 7.86 4.44 0.00 1.98 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 39 F 6.07 4.53 0.00 3.01 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 40 P 0.00 4.71 0.00 1.61 1.99 0.00 3.72 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 2.18 2.20 0.00 41 A 8.83 5.15 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 42 V 8.45 5.02 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 1.26 0.00 0.00 1.04 0.00 0.00 43 A 9.56 5.58 1.60 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 0.00 0.00 44 V 8.53 4.89 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 1.15 0.00 0.00 1.05 0.00 0.00 45 Y 7.83 5.09 0.00 3.08 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 46 L 8.77 5.40 0.00 1.55 1.64 0.65 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.73 4.68 4.37 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 1.40 0.00 0.00 48 G 8.79 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 0.00 0.00 0.00 0.00 49 A 8.19 4.79 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.49 4.62 0.00 1.81 2.00 0.00 0.00 0.00 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 2.12 0.00 51 Y 7.25 2.59 0.00 1.43 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 0.00 0.00 0.00 0.00 52 T 7.85 4.04 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 1.02 0.00 0.00 53 G 5.38 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 0.00 0.00 0.00 54 E 8.28 5.00 0.00 2.00 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 2.38 2.42 0.00 55 E 8.85 4.68 0.00 1.86 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 2.23 2.25 0.00 56 L 7.93 3.38 0.00 1.81 1.79 0.93 0.92 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 *58 S 7.96 4.27 0.00 3.45 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 59 D 8.58 5.42 0.00 2.36 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.53 4.92 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 1.30 0.00 0.00 61 W 9.33 5.14 0.00 2.35 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.04 5.10 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 63 A 9.01 4.90 1.52 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 64 E 8.75 4.93 0.00 2.11 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 2.09 2.21 0.00 65 L 8.93 4.67 0.00 1.81 1.59 0.89 1.18 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 66 H 9.41 5.03 0.00 1.54 2.52 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.06 4.51 1.78 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 1.13 0.36 0.92 0.00 0.00 68 E 9.36 4.80 0.00 2.12 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 1.47 1.82 0.00 69 V 8.16 4.55 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 0.12 0.00 0.00 1.06 0.00 0.00 70 F 9.06 5.07 0.00 2.79 2.63 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 71 L 8.94 4.92 0.00 1.36 1.37 0.82 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.06 0.00 1.87 1.95 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 *74 Q 8.65 4.00 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 75 V 7.85 4.63 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 0.92 0.00 0.00 0.95 0.00 0.00 76 P 0.00 4.34 0.00 2.24 2.21 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 77 D 8.81 4.49 0.00 2.46 2.37 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 78 S 8.04 4.19 0.00 3.73 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 79 E 8.40 4.23 0.00 2.08 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 0.00 2.44 2.45 0.00 80 L 7.93 4.10 0.00 2.17 1.86 1.16 1.04 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 81 D 8.93 5.01 0.00 3.00 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 82 A 8.47 4.14 1.51 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 83 W 8.46 3.92 0.00 3.69 3.32 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 84 M 8.82 4.12 0.00 1.94 2.37 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.86 0.00 85 E 8.60 4.71 0.00 2.02 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 0.00 2.27 2.21 0.00 86 S 7.54 4.61 0.00 4.05 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 87 R 7.91 4.38 0.00 1.10 1.56 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.15 0.00 88 I 7.87 4.01 1.75 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 1.62 0.87 0.79 0.00 0.00 89 Y 7.71 4.46 0.00 3.05 2.98 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 0.00 0.00 0.00 90 P 0.00 4.31 0.00 1.95 2.16 0.00 3.61 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 2.04 2.20 0.00 91 V 7.85 3.64 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 1.11 0.00 0.00 0.86 0.00 0.00 92 M 8.23 4.00 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.64 0.00 93 S 7.82 4.59 0.00 3.71 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 94 D 8.17 4.46 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 4.32 1.81 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 1.67 0.74 0.89 0.00 0.00 96 P 0.00 4.17 0.00 2.24 2.32 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 97 A 8.01 3.91 1.29 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 0.00 0.00 0.00 0.00 0.00 98 L 7.91 4.04 0.00 1.71 1.80 0.84 0.89 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 99 S 8.17 4.14 0.00 3.76 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 0.00 100 D 8.65 4.74 0.00 2.59 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 0.00 101 L 7.89 4.57 0.00 1.76 1.65 0.90 0.70 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 0.00 102 I 7.08 4.44 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.91 0.00 0.00 103 T 8.98 4.65 4.28 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 1.28 0.00 0.00 104 S 7.43 4.90 0.00 3.94 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 0.00 105 M 8.53 5.31 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 106 V 8.72 4.75 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 0.86 0.00 0.00 1.00 0.00 0.00 107 A 8.95 4.34 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 0.00 108 S 8.75 4.51 0.00 3.83 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 0.00 109 G 7.72 4.15 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 0.00 0.00 0.00 110 Y 8.43 4.79 0.00 2.97 2.61 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 0.00 111 D 8.64 5.33 0.00 2.57 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 0.00 112 Y 8.69 5.16 0.00 2.86 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 0.00 113 R 9.26 5.03 0.00 1.44 1.72 0.00 3.27 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 114 R 8.25 4.71 0.00 1.53 1.65 0.00 3.24 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 115 D 7.49 3.48 0.00 1.58 1.67 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 0.00 0.00 0.00 0.00 116 D 8.40 4.29 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 117 D 7.81 4.44 0.00 2.79 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 *119 G 7.80 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 0.00 0.00 0.00 120 L 7.70 4.16 0.00 1.66 1.60 0.92 0.83 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 0.00 121 W 7.12 5.27 0.00 3.09 2.38 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 0.00 122 S 9.16 5.35 0.00 3.38 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 0.00 123 S 9.84 5.40 0.00 3.10 3.43 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 0.00 124 A 8.07 4.91 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 0.00 125 D 8.77 4.76 0.00 2.59 2.38 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 0.00 126 L 8.32 4.38 0.00 1.32 1.31 0.57 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.07 4.91 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 0.97 0.00 0.00 128 Y 8.82 5.18 0.00 2.95 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 0.00 129 V 8.90 4.82 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 1.04 0.00 0.00 0.97 0.00 0.00 130 I 8.89 5.29 2.00 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 1.44 0.94 0.93 0.00 0.00 131 T 8.35 5.40 4.27 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 1.24 0.00 0.00 132 Y 8.11 4.86 0.00 3.18 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 0.00 133 E 8.92 5.29 0.00 1.92 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 2.44 2.20 0.00 134 M 8.63 4.15 0.00 1.62 1.23 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.