NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6610 8.3493 119.5547 52.1638 41.5878 174.9785 3 P 4.3276 0.0000 0.0000 60.2767 32.0982 174.2610 4 K 4.6618 8.2336 120.6112 55.5848 35.7714 175.9288 5 H 4.8920 7.9829 114.2887 54.6499 31.4782 172.1050 6 G 3.9601 7.7918 107.3878 45.4188 0.0000 171.8791 7 N 4.8811 8.0465 116.3680 51.2549 41.4669 175.0235 8 L 3.8093 8.3027 126.9714 57.3831 42.3064 177.2020 9 F 4.8187 8.0207 115.1621 57.2364 39.3993 175.6427 10 A 4.3626 7.6024 124.5191 52.5095 19.5562 176.9606 11 D 4.2753 8.4745 118.5656 55.4377 38.3744 175.1371 12 V 4.1474 7.5643 117.8491 60.3923 32.1905 173.2030 13 P 4.3182 0.0000 0.0000 62.4248 31.5497 176.2356 14 V 4.0347 8.4042 123.8943 63.0910 32.2167 175.9028 15 G 3.8731 9.3201 114.4358 45.4270 0.0000 173.0592 16 A 4.0938 7.8113 122.1557 51.5154 18.7920 176.8068 17 P 4.3975 0.0000 0.0000 64.6032 31.7422 176.3574 18 D 5.0968 7.6020 115.5233 51.7224 44.0372 175.3626 19 E 4.3657 8.6511 120.3799 56.9066 30.4164 176.4484 20 I 4.6949 8.4307 123.3488 59.5524 40.3189 174.5437 21 F 5.3071 9.0399 124.2557 55.8437 42.0432 174.9084 22 Q 4.6172 9.1026 121.5990 53.5259 32.5334 172.7546 23 P 4.7342 0.0000 0.0000 63.1040 31.7404 175.9982 24 L 4.5941 9.2151 122.4851 55.8027 43.7599 176.9308 25 L 4.7671 7.6619 119.3408 53.4095 45.8518 174.8147 26 E 5.1463 8.8205 124.3160 54.8307 32.6689 175.2746 27 R 4.6347 9.0254 124.8633 54.2180 34.4750 175.4222 28 K 3.9924 8.6529 120.9351 56.4498 32.0066 177.9040 29 G 4.0163 9.5271 111.2232 44.7521 0.0000 172.0385 30 L 5.0829 8.0161 121.1094 53.3647 46.0375 174.5431 31 K 5.1523 9.2123 126.6172 54.9048 36.0060 174.5344 32 I 5.1802 8.9108 128.4032 59.5704 39.8269 174.4949 33 E 5.1724 9.3282 123.7724 54.9883 33.6716 173.8370 34 R 5.0440 8.9438 121.6941 55.1945 32.3425 174.9488 35 I 4.6502 8.5481 125.9803 59.3949 40.7869 174.4531 36 I 4.9513 8.6844 127.5532 59.9032 39.5341 174.8565 37 S 5.2134 9.4949 123.8450 56.3830 65.5676 174.2053 38 N 4.9203 9.1564 118.3090 52.1481 38.9367 175.5531 39 G 4.0193 8.4052 104.8914 45.2115 0.0000 172.6608 40 Q 4.4595 7.7686 118.2341 55.6414 30.2376 174.6816 41 A 5.0061 8.2354 121.5328 49.7692 22.7951 176.0628 42 S 4.1107 8.6447 115.9324 58.0680 63.4999 173.5076 43 P 4.3624 0.0000 0.0000 61.6965 31.8074 173.9249 44 P 4.4297 0.0000 0.0000 64.3630 31.6032 177.0529 45 G 4.0899 8.9046 110.6806 45.4112 0.0000 173.3283 46 F 4.3564 7.7640 122.1225 57.3415 39.9722 174.5295 47 W 4.6834 7.3284 126.4296 54.7856 32.6083 174.7415 48 Y 4.1793 8.8533 121.8639 58.2019 39.3187 174.8608 49 D 4.5291 8.5268 121.6928 53.8901 43.9578 173.6847 50 S 5.1455 8.6255 121.0183 55.7504 65.6086 172.8380 51 P 4.1519 0.0000 0.0000 64.2228 31.6483 176.0181 52 Q 4.7276 7.8909 118.8937 54.3963 31.4297 175.0221 53 D 4.8509 8.9914 121.6071 54.4470 42.5641 175.0883 54 E 5.2423 9.1580 121.2813 54.1981 33.5400 174.0932 55 W 5.3332 9.3175 135.0000 55.6446 33.6934 174.5153 56 V 5.1528 7.7985 125.2636 59.1331 35.5706 174.0240 *58 V 3.5187 8.1164 119.0215 62.9602 31.8454 175.4808 59 V 4.4105 8.7399 127.9738 63.9328 33.3878 175.5244 60 S 4.4309 7.6714 112.9256 57.6352 66.3864 175.1168 61 G 3.8611 9.6692 107.6372 46.0359 0.0000 172.6498 62 S 4.5159 8.0518 114.1555 58.1575 66.7901 174.4006 63 A 4.5524 8.0137 121.3674 51.2982 22.2656 175.5336 64 G 2.8135 7.2306 105.0218 44.8179 0.0000 172.1393 65 I 5.1105 7.9520 123.1422 59.1530 41.5756 173.6422 66 E 4.9573 9.0579 127.2979 54.7218 31.9837 174.2090 67 C 5.2690 8.6477 124.2920 57.9295 30.5139 173.0244 68 E 4.0219 8.9918 124.9111 57.7311 29.6146 177.2584 69 G 3.9933 8.8116 113.7184 45.4508 0.0000 173.4949 70 D 4.6528 7.5934 118.9888 53.9536 41.5583 176.6827 71 T 3.9839 8.4592 116.0184 64.8636 67.6778 173.8873 72 A 4.6688 7.4374 121.1348 50.0637 22.0362 173.5468 73 P 4.7021 0.0000 0.0000 63.0465 32.5683 176.2300 74 R 4.6230 8.7460 121.3677 54.4829 32.3133 177.0527 75 V 4.2863 8.3003 123.6973 62.8800 33.0779 174.4841 *77 R 4.0499 8.2935 119.4911 54.8016 31.0092 173.2490 78 P 4.4683 0.0000 0.0000 64.7963 31.4921 176.3867 79 G 4.1643 9.1696 111.7532 45.5938 0.0000 173.8155 80 D 4.4043 7.8318 120.0576 53.7063 41.2631 175.6395 81 W 5.0901 7.8053 119.5471 54.4473 31.5708 174.1044 82 L 4.7061 8.5515 120.6939 53.8489 45.2471 174.0780 83 H 5.3377 9.2460 126.1015 54.9126 31.4119 174.1233 84 V 4.1675 8.9481 127.1363 60.3726 32.7118 173.2389 85 P 4.8847 0.0000 0.0000 61.9091 32.7320 176.0811 86 A 4.3831 8.4848 124.5185 53.6376 18.5973 178.3830 87 H 4.9990 8.8095 117.8347 56.5481 27.7193 174.8418 88 C 4.3239 7.8711 120.7297 58.9199 32.0572 172.8109 89 R 5.4207 8.6251 125.8269 55.2635 31.8667 174.9513 90 H 5.9508 8.8839 116.5756 54.9910 32.3951 171.9776 91 R 4.7877 8.9765 114.6003 54.7598 33.4446 174.2194 92 V 4.3136 8.7821 121.0654 61.9651 31.8213 176.4544 93 A 4.2401 8.6153 131.8275 54.7121 19.0805 176.9744 94 W 4.9449 7.2670 109.8171 56.1913 31.1142 173.6154 95 T 5.1807 8.1672 107.6543 59.3393 71.7033 173.1113 96 D 4.4425 8.8531 122.3251 55.4286 41.1851 176.9507 97 G 3.9111 9.1204 113.5034 46.1770 0.0000 173.9185 98 G 4.0461 8.6036 108.0839 45.4435 0.0000 172.9461 99 E 4.6873 7.8425 115.3578 54.0794 32.2757 172.8185 100 P 4.6076 0.0000 0.0000 63.4187 32.4379 176.1175 101 T 4.5290 8.9366 120.1399 61.9967 70.6999 173.3899 102 V 4.8541 8.1838 126.8654 61.0691 33.6836 174.7343 103 W 5.1559 9.5093 127.3036 54.7368 33.2039 174.0356 104 L 5.3463 8.6538 122.7728 53.3774 44.4552 174.8564 105 A 5.2391 9.3698 127.6802 50.1343 22.6828 174.6429 106 V 4.8498 9.2948 121.4714 61.3991 34.9062 173.8463 107 H 5.5272 9.3139 125.4379 54.2425 31.4342 173.1790 108 C 5.4854 8.7961 116.6168 57.0027 33.6003 173.1419 109 D 4.6824 8.6856 118.6335 54.4576 40.8006 177.2638 110 A 4.2609 8.4983 124.3330 54.5771 18.9031 177.6633 111 A 4.1768 7.9331 122.7734 52.5636 18.4301 177.1597 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 2 D 8.35 4.66 0.00 2.71 2.53 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 0.00 3 P 0.00 4.33 0.00 2.26 2.08 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 4 K 8.23 4.66 0.00 2.11 1.82 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 0.96 7.81 5 H 7.98 4.89 0.00 3.19 3.26 0.00 5.76 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 6 G 7.79 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 7 N 8.05 4.88 0.00 2.69 2.63 0.00 0.00 6.54 6.66 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 8 L 8.30 3.81 0.00 1.16 0.75 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.02 4.82 0.00 3.20 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 10 A 7.60 4.36 1.30 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 0.00 0.00 11 D 8.47 4.28 0.00 2.82 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 12 V 7.56 4.15 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 0.87 0.00 0.00 1.04 0.00 0.00 13 P 0.00 4.32 0.00 2.10 2.00 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 14 V 8.40 4.03 2.09 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 0.79 0.00 0.00 0.94 0.00 0.00 15 G 9.32 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 0.00 0.00 0.00 16 A 7.81 4.09 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 17 P 0.00 4.40 0.00 2.06 2.13 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 18 D 7.60 5.10 0.00 2.64 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 19 E 8.65 4.37 0.00 1.95 1.68 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 0.00 2.37 2.37 0.00 20 I 8.43 4.69 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.94 0.00 0.00 21 F 9.04 5.31 0.00 2.79 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 22 Q 9.10 4.62 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 23 P 0.00 4.73 0.00 2.18 2.08 0.00 3.77 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 2.01 2.02 0.00 24 L 9.22 4.59 0.00 1.51 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.66 4.77 0.00 1.71 1.44 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.82 5.15 0.00 1.84 1.81 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 2.21 2.31 0.00 27 R 9.03 4.63 0.00 1.78 1.74 0.00 3.30 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 28 K 8.65 3.99 0.00 1.77 1.64 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.03 7.81 29 G 9.53 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 30 L 8.02 5.08 0.00 1.73 1.46 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.21 5.15 0.00 1.84 1.62 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.44 7.81 32 I 8.91 5.18 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.95 0.00 0.00 33 E 9.33 5.17 0.00 2.22 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 0.00 2.48 2.39 0.00 34 R 8.94 5.04 0.00 1.91 1.83 0.00 3.18 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 35 I 8.55 4.65 1.67 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 0.81 0.50 -0.02 0.00 0.00 36 I 8.68 4.95 1.86 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 1.21 1.27 0.94 0.00 0.00 37 S 9.49 5.21 0.00 3.92 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 38 N 9.16 4.92 0.00 2.75 2.73 0.00 0.00 7.12 7.69 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 39 G 8.41 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 40 Q 7.77 4.46 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 41 A 8.24 5.01 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 42 S 8.64 4.11 0.00 3.74 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 43 P 0.00 4.36 0.00 2.17 2.10 0.00 3.24 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 44 P 0.00 4.43 0.00 2.07 2.05 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 45 G 8.90 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 0.00 0.00 0.00 46 F 7.76 4.36 0.00 2.87 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 47 W 7.33 4.68 0.00 2.87 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 48 Y 8.85 4.18 0.00 2.80 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 49 D 8.53 4.53 0.00 2.69 2.51 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 50 S 8.63 5.15 0.00 3.93 3.66 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 51 P 0.00 4.15 0.00 2.22 2.19 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 52 Q 7.89 4.73 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 53 D 8.99 4.85 0.00 2.84 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 54 E 9.16 5.24 0.00 1.97 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 2.09 2.09 0.00 55 W 9.32 5.33 0.00 3.39 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 56 V 7.80 5.15 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 1.04 0.00 0.00 1.01 0.00 0.00 *58 V 8.12 3.52 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 0.58 0.00 0.00 0.10 0.00 0.00 59 V 8.74 4.41 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 1.02 0.00 0.00 1.00 0.00 0.00 60 S 7.67 4.43 0.00 3.75 3.77 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 61 G 9.67 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 0.00 0.00 0.00 62 S 8.05 4.52 0.00 3.94 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 63 A 8.01 4.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.23 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 0.00 0.00 0.00 65 I 7.95 5.11 1.86 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 1.26 0.88 1.03 0.00 0.00 66 E 9.06 4.96 0.00 2.07 1.79 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 2.50 2.40 0.00 67 C 8.65 5.27 0.00 3.15 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 68 E 8.99 4.02 0.00 1.47 1.63 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 2.01 1.59 0.00 69 G 8.81 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 70 D 7.59 4.65 0.00 2.93 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 71 T 8.46 3.98 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 72 A 7.44 4.67 1.28 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 0.00 0.00 0.00 73 P 0.00 4.70 0.00 2.26 2.06 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 74 R 8.75 4.62 0.00 1.84 1.78 0.00 3.22 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 75 V 8.30 4.29 2.16 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 0.86 0.00 0.00 1.19 0.00 0.00 *77 R 8.29 4.05 0.00 1.87 1.86 0.00 3.38 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 78 P 0.00 4.47 0.00 2.01 2.18 0.00 3.60 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 1.98 2.12 0.00 79 G 9.17 4.16 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 0.00 0.00 0.00 80 D 7.83 4.40 0.00 2.70 2.48 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 81 W 7.81 5.09 0.00 2.63 2.64 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 82 L 8.55 4.71 0.00 1.65 1.42 0.90 1.18 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 83 H 9.25 5.34 0.00 3.58 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.95 4.17 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 0.88 0.00 0.00 0.70 0.00 0.00 85 P 0.00 4.88 0.00 2.10 1.97 0.00 3.61 0.00 0.00 3.82 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 86 A 8.48 4.38 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 87 H 8.81 5.00 0.00 3.35 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.87 4.32 0.00 2.96 3.02 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 89 R 8.63 5.42 0.00 1.60 1.94 0.00 3.40 0.00 0.00 3.38 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.35 0.00 90 H 8.88 5.95 0.00 3.42 3.48 0.00 5.43 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.98 4.79 0.00 1.45 1.35 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 92 V 8.78 4.31 2.09 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 1.09 0.00 0.00 0.89 0.00 0.00 93 A 8.62 4.24 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 0.00 0.00 94 W 7.27 4.94 0.00 3.38 3.29 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 95 T 8.17 5.18 4.36 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 1.53 0.00 0.00 96 D 8.85 4.44 0.00 2.95 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 97 G 9.12 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 0.00 0.00 0.00 98 G 8.60 4.05 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 0.00 99 E 7.84 4.69 0.00 2.02 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 2.33 2.30 0.00 100 P 0.00 4.61 0.00 1.98 2.06 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 101 T 8.94 4.53 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 0.61 0.00 0.00 102 V 8.18 4.85 2.26 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 1.07 0.00 0.00 1.06 0.00 0.00 103 W 9.51 5.16 0.00 3.12 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 0.00 104 L 8.65 5.35 0.00 1.83 1.67 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.37 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.29 4.85 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 1.11 0.00 0.00 1.07 0.00 0.00 107 H 9.31 5.53 0.00 3.09 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.80 5.49 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.68 0.00 2.69 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 0.00 110 A 8.50 4.26 1.30 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 0.00 0.00 111 A 7.93 4.18 1.25 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 * Residues marked with a * may have inaccurate shift predictions.