NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6872 8.3644 120.3213 52.4078 42.0525 175.4977 5 V 4.1215 7.7690 114.3647 62.4914 35.3203 176.3642 6 L 4.1491 9.0507 120.7899 57.6421 42.3515 178.8523 7 K 3.9657 7.9619 117.2588 59.6656 31.9984 179.1109 8 N 4.3946 8.1413 116.1007 56.3353 38.4766 177.4097 9 I 3.7958 7.7727 120.5101 64.2252 37.1467 178.1832 10 A 4.0207 8.6434 121.8687 55.5332 18.2183 179.3034 11 D 4.3476 8.4908 117.6058 58.0379 40.9096 179.4159 12 T 3.9488 8.1131 116.1400 66.3976 68.1847 176.8745 13 L 4.1264 7.9746 120.2748 58.0914 42.1887 179.0748 14 E 4.0129 8.6023 118.5923 59.1489 29.0790 179.1851 15 A 4.0412 8.0179 120.4544 55.0059 18.5388 179.1727 16 R 4.4451 7.5481 111.5563 56.3958 30.0571 177.8183 17 R 3.5223 7.4300 120.6784 59.1852 30.9216 177.1988 18 E 4.6297 7.9103 114.0389 55.3468 30.0482 174.3826 19 A 4.6021 7.4516 121.8361 50.5378 22.1974 176.6910 20 A 4.2163 8.2843 118.5681 51.5232 19.0719 177.3328 21 P 4.2404 0.0000 0.0000 65.4193 31.4883 177.5366 22 Q 4.3381 7.8505 114.2998 56.3081 29.5421 176.5040 23 S 4.2244 7.9046 113.3122 60.8818 62.6435 173.6037 24 S 4.6273 7.4967 111.3106 56.2561 65.6300 173.6662 25 Y 4.1570 8.7887 120.9391 60.9129 38.5613 177.4927 26 V 3.1368 7.9498 118.4520 65.8177 31.5619 177.7000 27 A 4.1988 7.9468 120.3539 55.0903 18.3410 179.5511 28 S 4.1863 7.8914 112.5511 61.4882 62.9364 176.6485 29 L 3.7612 7.5844 122.4560 57.6820 41.1493 179.2985 30 F 4.5121 7.4463 116.2184 61.2753 38.9404 177.0966 31 H 4.4598 8.1947 116.8317 59.1238 29.7470 177.2053 32 K 4.1242 7.9631 119.8567 59.1291 32.2224 175.7944 33 G 3.7394 8.1845 103.7283 43.6015 0.0000 174.1090 34 E 3.1420 8.8066 118.5170 59.2429 29.2449 178.2820 35 D 4.2743 8.0086 117.8809 57.5496 40.8600 178.5974 36 A 3.9585 7.9217 120.4309 55.2240 18.2892 179.6520 37 I 3.7134 7.2990 118.2159 64.4345 37.1553 178.6066 38 L 4.0138 8.1081 120.1085 57.4234 41.2697 179.6324 39 K 3.8867 8.3143 119.0171 59.4013 31.9597 179.1668 40 K 3.8560 7.5948 118.2980 59.3740 32.0927 178.8409 41 V 3.5786 7.8293 118.2525 66.0721 31.4827 177.8416 42 A 3.9906 8.1832 120.5437 54.9928 18.1308 179.0576 43 E 3.8620 8.4523 118.1047 59.7642 29.7898 179.0853 44 E 3.9549 8.5553 118.4956 59.1776 29.4856 179.3153 45 A 4.0262 8.0585 120.8944 55.0527 18.2273 179.5853 46 A 3.9565 7.8954 118.3324 55.2948 18.5591 179.2288 47 E 4.0272 8.2571 117.0024 59.5712 29.9289 178.8519 48 T 4.0603 7.9199 116.0432 66.3778 68.4428 176.7798 49 L 4.1554 7.5160 116.1297 55.6549 41.1133 178.6717 *51 A 4.2854 7.8807 124.0520 52.3723 20.6882 179.7431 52 S 4.0907 8.2142 110.3528 61.3408 62.6855 176.2975 53 K 3.9296 8.0944 120.2346 59.6088 31.9015 177.1533 54 D 4.5279 8.0815 114.8889 54.0597 40.8901 176.2300 55 K 3.8659 7.7874 117.0834 57.3773 30.6742 176.8616 56 D 4.6466 7.5261 120.3625 52.8315 37.9595 176.2984 57 K 3.8444 8.1505 123.3107 59.1636 32.3012 178.3231 58 L 4.0162 7.9083 118.8306 57.8843 41.6472 178.6359 59 H 4.2569 8.3744 117.8231 58.7381 29.6780 176.9367 60 L 3.8508 8.0560 122.5122 58.3615 41.9966 179.2775 61 V 3.4976 7.4500 117.9211 65.9391 31.4064 178.2033 62 R 3.8695 7.7159 118.0255 59.1052 29.8946 178.9607 63 E 3.8932 8.3045 118.5723 59.4590 29.4767 179.3322 64 V 3.6775 8.0449 118.4219 66.0232 31.3504 177.9937 65 A 3.7269 7.7838 120.3468 55.0936 18.1968 179.1359 66 D 4.4839 8.1260 116.6073 57.2380 41.1443 178.1674 67 L 4.0729 8.5345 121.4221 58.0019 42.0035 178.6970 68 W 4.3762 8.5695 118.1278 59.9273 29.1753 177.8562 69 F 4.3962 8.6569 119.4493 62.0611 39.0892 176.8361 70 H 4.1415 8.7237 115.4592 58.6275 28.2657 178.0697 71 T 4.2092 7.9223 115.5809 64.1823 68.0064 176.2352 *73 V 3.8309 7.7380 122.9987 62.8743 33.6368 177.2068 74 L 3.9477 8.0774 121.0800 58.2288 41.8458 178.6375 75 L 4.0550 8.1509 119.1424 58.5396 41.6406 179.8426 76 T 4.0291 8.0111 114.7723 66.8811 68.2001 175.8969 77 Y 4.0636 8.1191 120.5921 60.2568 38.7768 176.6486 78 H 4.8394 7.8683 115.0640 54.7582 29.2349 175.1542 79 G 3.8751 7.7036 107.5754 46.5700 0.0000 173.7731 80 L 4.9080 7.7620 120.7732 53.1269 44.8007 175.6410 81 R 4.5814 9.0677 113.0527 54.4596 32.3725 174.6246 82 P 4.0811 0.0000 0.0000 65.8057 31.2334 178.1899 83 E 3.9315 8.2791 115.6024 59.7680 29.3445 178.9039 84 D 4.4908 8.1789 118.2537 57.4281 41.1420 178.7702 85 V 3.7200 7.5472 118.1124 65.7981 31.5155 178.3913 86 V 3.7491 7.7855 114.2068 64.0625 30.5115 176.8204 *88 E 4.2101 8.1224 120.0278 55.8164 31.0259 177.8736 89 L 4.0089 8.1076 118.9823 57.9714 41.9920 178.8657 90 H 4.2578 8.4274 117.6444 59.1529 29.9389 176.2605 91 R 3.9256 8.0521 117.9595 59.1992 29.9699 176.7843 92 R 3.8769 7.2284 115.8027 57.9845 29.7799 176.5285 93 E 3.9772 6.7133 123.9395 58.5117 30.2406 177.6427 94 G 4.0487 8.8057 112.3315 45.6734 0.0000 172.4864 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.77 4.12 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 1.04 0.00 0.00 0.96 0.00 0.00 6 L 9.05 4.15 0.00 1.79 1.78 1.04 1.18 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 7 K 7.96 3.97 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.78 7.81 8 N 8.14 4.39 0.00 2.90 2.90 0.00 0.00 7.12 7.43 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 9 I 7.77 3.80 2.15 0.00 0.00 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 1.57 0.95 1.18 0.00 0.00 10 A 8.64 4.02 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 11 D 8.49 4.35 0.00 2.87 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 12 T 8.11 3.95 4.49 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 1.29 0.00 0.00 13 L 7.97 4.13 0.00 1.89 1.94 0.84 1.08 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 14 E 8.60 4.01 0.00 2.12 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 2.53 0.00 15 A 8.02 4.04 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 16 R 7.55 4.45 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 17 R 7.43 3.52 0.00 1.61 1.95 0.00 2.21 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 18 E 7.91 4.63 0.00 1.90 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 2.12 2.12 0.00 19 A 7.45 4.60 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 20 A 8.28 4.22 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 21 P 0.00 4.24 0.00 1.98 1.99 0.00 3.63 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 1.82 1.87 0.00 22 Q 7.85 4.34 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 23 S 7.90 4.22 0.00 3.82 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 24 S 7.50 4.63 0.00 3.91 3.74 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 25 Y 8.79 4.16 0.00 3.09 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 26 V 7.95 3.14 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 0.84 0.00 0.00 1.19 0.00 0.00 27 A 7.95 4.20 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 28 S 7.89 4.19 0.00 4.13 4.29 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 29 L 7.58 3.76 0.00 1.34 1.28 0.50 0.78 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 30 F 7.45 4.51 0.00 3.26 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 31 H 8.19 4.46 0.00 3.31 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.96 4.12 0.00 1.90 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.64 7.81 33 G 8.18 3.74 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 0.00 0.00 0.00 34 E 8.81 3.14 0.00 1.82 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 2.27 2.28 0.00 35 D 8.01 4.27 0.00 2.68 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 36 A 7.92 3.96 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 37 I 7.30 3.71 1.78 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.79 0.00 0.00 38 L 8.11 4.01 0.00 1.77 1.69 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.31 3.89 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.60 7.81 40 K 7.59 3.86 0.00 1.86 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.12 1.20 7.81 41 V 7.83 3.58 2.23 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 0.98 0.00 0.00 0.99 0.00 0.00 42 A 8.18 3.99 1.37 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 0.00 0.00 43 E 8.45 3.86 0.00 2.14 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 0.00 2.31 2.36 0.00 44 E 8.56 3.95 0.00 2.05 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 2.58 2.72 0.00 45 A 8.06 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 3.96 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 47 E 8.26 4.03 0.00 2.10 2.07 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 2.36 2.38 0.00 48 T 7.92 4.06 4.45 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 1.23 0.00 0.00 49 L 7.52 4.16 0.00 1.93 1.68 0.99 0.81 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 *51 A 7.88 4.29 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 52 S 8.21 4.09 0.00 3.88 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 53 K 8.09 3.93 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.53 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 55 K 7.79 3.87 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.53 4.65 0.00 2.67 2.59 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 57 K 8.15 3.84 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 58 L 7.91 4.02 0.00 1.73 1.70 0.91 1.01 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 59 H 8.37 4.26 0.00 3.46 3.39 0.00 5.62 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 60 L 8.06 3.85 0.00 1.78 1.82 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.45 3.50 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 0.86 0.00 0.00 0.92 0.00 0.00 62 R 7.72 3.87 0.00 1.93 1.92 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 63 E 8.30 3.89 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 2.23 2.22 0.00 64 V 8.04 3.68 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 0.70 0.00 0.00 0.93 0.00 0.00 65 A 7.78 3.73 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 66 D 8.13 4.48 0.00 3.02 2.96 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 67 L 8.53 4.07 0.00 1.95 1.99 1.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.57 4.38 0.00 3.43 3.37 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 69 F 8.66 4.40 0.00 3.09 3.37 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 70 H 8.72 4.14 0.00 3.36 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.92 4.21 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 *73 V 7.74 3.83 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 0.38 0.00 0.00 0.21 0.00 0.00 74 L 8.08 3.95 0.00 1.86 1.92 0.93 0.94 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 75 L 8.15 4.06 0.00 1.72 1.74 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.01 4.03 4.69 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 1.18 0.00 0.00 77 Y 8.12 4.06 0.00 3.29 3.22 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 78 H 7.87 4.84 0.00 3.38 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.70 3.88 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 0.00 0.00 0.00 80 L 7.76 4.91 0.00 1.71 1.75 0.93 0.69 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 81 R 9.07 4.58 0.00 1.94 1.97 0.00 3.01 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 82 P 0.00 4.08 0.00 2.20 2.13 0.00 3.63 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 2.14 2.24 0.00 83 E 8.28 3.93 0.00 1.91 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 2.33 2.50 0.00 84 D 8.18 4.49 0.00 2.70 2.71 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 85 V 7.55 3.72 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 0.94 0.00 0.00 0.85 0.00 0.00 86 V 7.79 3.75 2.19 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 1.01 0.00 0.00 0.96 0.00 0.00 *88 E 8.12 4.21 0.00 2.16 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 0.00 2.24 2.37 0.00 89 L 8.11 4.01 0.00 2.02 1.69 0.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.43 4.26 0.00 3.07 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.05 3.93 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 92 R 7.23 3.88 0.00 2.02 1.75 0.00 3.20 0.00 0.00 3.22 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 93 E 6.71 3.98 0.00 2.00 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 2.36 2.31 0.00 94 G 8.81 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 * Residues marked with a * may have inaccurate shift predictions.