NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3339 8.2549 119.0624 55.6839 30.5094 175.3321 8 P 2.9700 0.0000 0.0000 62.7167 32.2355 173.2738 9 N 4.9049 8.3654 117.9120 52.6135 42.8343 173.9420 10 H 4.4840 9.0034 120.0364 58.4981 30.1718 175.2413 11 T 5.3220 8.6849 115.4007 61.7525 70.4835 173.8278 12 I 4.7881 8.4480 119.3429 59.4096 40.5193 173.7664 13 Y 4.2724 9.0879 127.2723 56.4016 40.2489 173.9297 14 I 4.7605 7.5829 127.9283 59.4428 40.3826 174.6323 15 N 5.5448 8.3177 123.2107 50.0535 41.5097 173.4117 16 N 4.3688 8.6500 113.6308 54.8387 37.0839 173.7818 17 L 4.5976 7.7454 114.6394 52.7235 43.1955 176.2584 18 N 4.3984 8.5784 120.0757 53.8924 39.0996 175.6535 19 E 3.9130 8.6535 125.1499 58.2136 30.0274 177.8186 20 K 4.1112 7.9998 117.1123 57.5496 32.3282 176.8503 21 I 4.0642 6.6964 120.7948 59.2750 38.3952 176.0326 22 K 4.1815 8.2145 123.8767 56.1174 33.5823 177.5747 23 K 3.7702 8.8502 121.5027 60.0173 32.2322 178.2551 24 D 4.4094 8.0479 116.7338 56.6958 41.2224 177.6426 25 E 4.0068 8.1067 119.7215 59.0035 29.6704 178.4131 26 L 4.1690 7.9317 120.2694 58.1236 41.7361 178.7681 27 K 3.9855 7.9005 119.6590 59.5464 31.7214 178.8067 28 K 4.1630 8.2900 118.6923 59.2779 31.8877 179.4975 29 S 4.4017 8.4205 115.4855 61.3027 62.9050 176.6335 30 L 4.1567 8.4845 122.2379 57.9205 41.1396 178.8235 31 H 4.2475 8.2607 117.2968 58.9051 29.5434 177.1261 32 A 3.9205 7.7259 121.6441 54.2865 18.1662 178.5537 33 I 4.0478 6.9384 116.6143 62.7552 38.4988 177.2360 34 F 5.0208 7.9894 116.2051 58.0590 38.6293 177.6285 35 S 4.4440 7.7771 116.1829 60.9718 62.7595 176.5829 36 R 3.6798 7.6782 118.2406 58.7399 29.5612 177.8447 37 F 4.3027 7.5841 117.3247 57.8454 39.0860 175.6036 38 G 4.6463 7.1285 110.0788 44.4247 0.0000 171.8081 39 Q 4.1907 8.0162 118.3421 55.8597 29.2025 175.3589 40 I 4.0761 8.1802 123.7134 60.2841 38.3692 175.7956 41 L 4.1416 8.8272 126.7846 57.3217 41.9424 176.6578 42 D 4.6802 7.4688 115.7792 53.1751 44.7891 173.5639 43 I 4.8162 8.3322 124.4063 59.6509 39.8421 174.9733 44 L 4.5865 8.8637 128.6360 53.3409 43.0213 175.9619 45 V 4.7917 8.4226 123.8181 61.0330 33.8140 174.7075 46 S 4.6840 8.6274 120.5290 56.7918 65.4415 173.6080 47 R 4.5744 8.4918 125.2494 55.9503 30.1744 176.2365 48 S 4.4072 7.4415 111.4535 57.3283 63.7696 174.7144 49 L 3.8883 8.5650 123.2098 58.1036 41.7146 178.1434 50 K 4.2556 7.9639 117.2377 57.7729 32.4853 176.5169 51 M 4.8371 7.2820 115.2534 54.6347 33.5488 176.0501 52 R 4.1961 7.5508 115.7838 56.6071 30.5076 176.6814 53 G 3.9405 8.9158 107.1227 46.2896 0.0000 172.6248 54 Q 4.9301 7.8005 115.8665 53.8489 32.8121 174.5378 55 A 4.7929 8.3312 122.3043 50.6022 23.4445 175.4556 56 F 4.9359 8.9187 119.7431 55.7231 41.4075 174.4349 57 V 4.0130 7.9207 124.1001 61.7774 32.8477 174.7497 58 I 4.4098 8.4184 129.8950 59.8906 38.4006 175.1815 59 F 4.8087 8.8035 126.4294 56.2995 39.7607 176.6903 60 K 4.1626 8.5765 121.7285 58.6351 32.3841 177.2204 61 E 4.8754 7.9805 116.9077 54.3188 32.2913 177.0546 62 V 3.5203 8.2106 120.7103 65.9779 31.7261 178.4015 63 S 4.0983 8.0581 112.6548 61.4890 62.0715 176.1732 64 S 4.1218 7.6721 117.1228 60.9386 62.4572 176.4635 65 A 3.4924 7.4022 123.3283 55.0625 18.3059 179.6569 66 T 3.9209 7.7781 115.6119 66.3706 68.6398 176.7678 67 N 4.2646 7.8900 117.6960 56.1497 38.4951 177.4009 68 A 2.5800 6.9762 122.2837 54.2992 18.1566 179.4684 69 L 3.7477 7.4656 118.0450 58.2331 42.1618 179.1526 70 R 4.0221 7.7430 117.2419 59.0077 30.0884 178.5591 71 S 4.4422 7.6044 113.1900 60.5205 63.5739 175.5595 72 M 4.3201 7.6186 119.0839 53.8596 31.9703 175.6079 73 Q 4.1305 7.5219 121.8273 57.1828 29.6136 176.1617 74 G 3.9360 8.9297 113.0821 45.6836 0.0000 173.1243 75 F 4.2533 7.9581 122.9469 56.9662 39.8105 172.7101 76 P 4.4530 0.0000 0.0000 62.2991 31.0655 175.6753 77 F 4.6140 9.1489 126.2536 57.2452 41.8231 174.1876 78 Y 3.4236 8.4504 127.5475 59.7173 34.7065 170.2132 79 D 4.4463 8.1017 112.9850 54.7858 39.5012 174.1711 80 K 4.7971 7.5698 118.3766 53.6950 36.2035 173.9593 81 P 4.7081 0.0000 0.0000 63.0055 32.1368 176.1165 82 M 4.3976 9.1729 124.4391 55.1735 33.6531 175.3448 83 R 4.9997 8.6776 122.2750 54.8075 32.7962 174.1177 84 I 4.9040 8.8345 127.6668 59.6684 39.5896 175.1820 85 Q 4.6951 9.2728 124.9148 53.8721 33.0225 174.4060 86 Y 4.7386 8.3558 116.9592 57.5553 39.5844 175.1907 87 A 4.3876 8.9623 126.4837 52.5170 18.5680 178.9231 88 K 4.0931 9.0621 124.2775 57.0234 32.0587 175.0274 89 T 4.8333 7.4329 106.5745 59.0479 71.8679 173.1775 90 D 4.5738 8.3916 121.5087 54.3869 41.6636 177.3477 91 S 4.4696 8.3176 117.3881 58.0921 65.1752 175.4843 92 D 4.5491 8.4640 123.0070 57.3163 40.3325 178.7599 93 I 3.8510 7.6515 117.9480 63.1683 38.1310 177.2924 94 I 3.9799 7.4328 119.3117 63.7743 37.5686 177.4728 95 A 4.1799 8.5806 123.0364 54.9723 18.3329 178.1500 96 K 4.1572 7.6804 121.8846 54.6581 32.1887 177.8198 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 R 8.25 4.33 0.00 1.85 1.65 0.00 3.23 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.81 1.47 0.00 3.48 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 9 N 8.37 4.90 0.00 2.67 3.00 0.00 0.00 7.05 7.89 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 10 H 9.00 4.48 0.00 3.27 3.67 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.68 5.32 4.42 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 1.48 0.00 0.00 12 I 8.45 4.79 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.81 0.00 0.00 13 Y 9.09 4.27 0.00 2.94 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 14 I 7.58 4.76 1.57 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.24 0.82 0.00 0.00 15 N 8.32 5.54 0.00 2.63 2.58 0.00 0.00 6.50 7.15 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 16 N 8.65 4.37 0.00 2.87 3.06 0.00 0.00 6.87 7.78 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 17 L 7.75 4.60 0.00 1.71 1.69 0.95 1.38 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 18 N 8.58 4.40 0.00 2.86 2.54 0.00 0.00 7.01 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 19 E 8.65 3.91 0.00 1.97 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 2.37 2.49 0.00 20 K 8.00 4.11 0.00 2.08 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.70 4.06 1.35 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.61 0.00 0.00 22 K 8.21 4.18 0.00 1.91 1.91 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.40 7.81 23 K 8.85 3.77 0.00 1.77 1.88 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.42 7.81 24 D 8.05 4.41 0.00 2.84 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 25 E 8.11 4.01 0.00 2.09 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 2.49 2.42 0.00 26 L 7.93 4.17 0.00 1.84 1.70 1.22 0.53 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 27 K 7.90 3.99 0.00 2.03 2.01 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.62 7.81 28 K 8.29 4.16 0.00 1.94 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.28 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.78 7.81 29 S 8.42 4.40 0.00 4.39 4.33 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 30 L 8.48 4.16 0.00 1.86 1.79 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.26 4.25 0.00 3.44 3.45 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 32 A 7.73 3.92 1.42 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 0.00 0.00 33 I 6.94 4.05 1.33 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.37 0.00 0.00 34 F 7.99 5.02 0.00 3.23 3.35 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 35 S 7.78 4.44 0.00 4.14 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 36 R 7.68 3.68 0.00 1.61 1.84 0.00 2.21 0.00 0.00 2.74 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 37 F 7.58 4.30 0.00 3.21 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 38 G 7.13 4.65 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 0.00 0.00 0.00 39 Q 8.02 4.19 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 40 I 8.18 4.08 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.61 0.73 0.00 0.00 41 L 8.83 4.14 0.00 1.67 1.71 0.93 0.86 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 42 D 7.47 4.68 0.00 2.67 2.43 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 43 I 8.33 4.82 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 1.20 0.74 0.88 0.00 0.00 44 L 8.86 4.59 0.00 1.70 1.64 0.96 0.36 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 45 V 8.42 4.79 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 0.81 0.00 0.00 0.97 0.00 0.00 46 S 8.63 4.68 0.00 3.87 3.67 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 47 R 8.49 4.57 0.00 1.77 1.87 0.00 3.31 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 48 S 7.44 4.41 0.00 4.14 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 49 L 8.57 3.89 0.00 1.61 1.77 0.93 0.59 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 50 K 7.96 4.26 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 51 M 7.28 4.84 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 52 R 7.55 4.20 0.00 1.92 2.18 0.00 3.16 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 53 G 8.92 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 0.00 0.00 0.00 54 Q 7.80 4.93 0.00 2.10 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.08 2.43 0.00 55 A 8.33 4.79 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 56 F 8.92 4.94 0.00 3.03 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 57 V 7.92 4.01 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 0.15 0.00 0.00 0.39 0.00 0.00 58 I 8.42 4.41 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.94 0.00 0.00 59 F 8.80 4.81 0.00 3.18 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 60 K 8.58 4.16 0.00 1.86 1.93 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.45 7.81 61 E 7.98 4.88 0.00 2.05 1.84 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 2.37 2.25 0.00 62 V 8.21 3.52 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 0.95 0.00 0.00 0.67 0.00 0.00 63 S 8.06 4.10 0.00 3.92 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 64 S 7.67 4.12 0.00 3.95 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.40 3.49 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.92 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 1.27 0.00 0.00 67 N 7.89 4.26 0.00 2.72 3.04 0.00 0.00 6.95 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 68 A 6.98 2.58 0.98 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 0.00 0.00 69 L 7.47 3.75 0.00 1.40 1.59 -0.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.74 4.02 0.00 1.76 1.94 0.00 3.19 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 71 S 7.60 4.44 0.00 3.98 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 72 M 7.62 4.32 0.00 1.84 2.11 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.35 0.00 73 Q 7.52 4.13 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 74 G 8.93 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 0.00 0.00 0.00 75 F 7.96 4.25 0.00 3.02 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 76 P 0.00 4.45 0.00 1.71 1.82 0.00 2.62 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 1.76 1.90 0.00 77 F 9.15 4.61 0.00 3.10 3.01 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 78 Y 8.45 3.42 0.00 2.95 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 79 D 8.10 4.45 0.00 2.81 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 80 K 7.57 4.80 0.00 1.71 1.83 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.71 0.00 2.09 2.06 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 82 M 9.17 4.40 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.66 0.00 83 R 8.68 5.00 0.00 1.90 1.99 0.00 3.09 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 84 I 8.83 4.90 1.80 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 1.20 0.78 0.77 0.00 0.00 85 Q 9.27 4.70 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 86 Y 8.36 4.74 0.00 2.98 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 87 A 8.96 4.39 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 88 K 9.06 4.09 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.43 4.83 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 90 D 8.39 4.57 0.00 2.70 2.66 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 0.00 0.00 0.00 91 S 8.32 4.47 0.00 3.87 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 92 D 8.46 4.55 0.00 2.72 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 93 I 7.65 3.85 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.74 0.90 0.00 0.00 94 I 7.43 3.98 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.82 0.00 0.00 95 A 8.58 4.18 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 96 K 7.68 4.16 0.00 1.75 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.