NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 Q 4.3739 8.2033 119.1188 54.7094 29.8692 175.3664 4 E 4.0998 8.4685 120.6598 57.7786 29.2395 174.1059 5 V 3.5567 8.4422 119.6376 66.0799 32.0173 177.4472 6 E 3.9760 8.0043 117.8151 59.0011 29.1875 177.9931 7 E 4.2444 8.0832 117.6203 57.6287 29.6608 177.7449 8 T 4.2214 7.2668 113.7734 66.0240 69.7144 176.3057 9 L 3.9604 7.8894 120.5625 57.4591 41.7405 178.0395 10 K 4.2471 7.5783 117.4572 58.3406 32.5259 178.3390 11 R 4.0434 7.5682 117.0571 58.4831 30.1555 178.5336 12 I 4.0330 7.5092 119.3622 63.6432 37.5813 177.5434 13 Q 4.2409 7.5657 117.8935 58.0766 28.9320 176.8680 14 S 4.6909 7.7521 109.7545 58.1689 63.8605 173.5181 15 H 4.2267 8.7350 122.2493 56.2357 30.0680 174.3002 16 K 3.9557 8.2139 124.3843 58.3937 31.5940 176.5337 17 G 3.9076 9.1937 112.4792 45.0910 0.0000 172.1803 18 V 4.2507 7.3358 119.1612 61.8688 32.6746 175.1831 19 V 4.1599 8.8845 126.7492 64.2460 33.0247 175.3470 20 G 4.2744 7.6023 104.8988 45.3066 0.0000 171.0720 21 T 5.1102 8.0090 114.2032 62.4920 73.0675 173.3871 22 I 5.0450 8.8143 125.2879 59.7640 42.2834 174.0911 23 V 4.8364 8.6966 124.5228 61.2343 34.5255 174.5504 24 V 5.0733 8.7204 125.9423 61.2966 35.8279 173.8438 25 N 5.4542 8.5435 121.8872 51.4645 39.7108 176.1745 26 N 4.0634 9.3193 118.1381 56.1919 37.1979 175.9605 27 E 4.1479 8.0642 115.4803 56.4723 29.9437 176.8570 28 G 3.9149 8.5639 107.5462 46.0716 0.0000 173.2696 29 I 4.4985 7.7309 119.6492 58.1229 39.3736 173.9235 30 P 4.5803 0.0000 0.0000 62.6638 31.2236 174.9450 31 V 3.8955 8.4755 123.5394 61.9968 32.8452 175.3837 32 K 4.5309 7.1944 118.3535 54.9107 34.8381 175.4165 33 S 4.8522 7.9323 112.9449 58.2542 64.6920 175.5860 34 T 4.4897 8.6406 118.2840 61.5995 68.9183 174.0993 35 L 4.7483 7.2902 120.7455 52.3926 45.4725 176.7702 36 D 4.4316 8.4956 120.5347 54.0909 40.7162 177.3330 37 N 4.3040 8.7993 120.9566 56.8945 38.8712 177.2010 38 T 3.9239 7.8246 110.2139 65.0386 69.2136 176.3334 39 T 4.0909 8.1962 118.2013 66.8350 68.4225 176.8674 40 T 3.9365 8.2195 117.8804 66.8198 68.4046 176.5656 41 V 3.6659 8.0662 120.1302 66.7651 31.6652 177.7609 42 Q 3.7602 8.0271 116.4828 59.6183 28.5657 179.4223 43 Y 3.8700 8.2812 116.3381 61.1859 38.2083 178.2529 44 A 4.1255 7.8113 120.3405 55.5735 18.4766 179.5067 45 G 3.7231 8.0846 103.5256 48.2515 0.0000 175.7228 46 L 3.9511 7.9867 121.7143 57.5481 41.7622 179.6263 47 M 4.1447 8.5542 118.9549 58.3394 31.7831 178.7764 48 S 4.0878 8.2490 113.2645 61.4703 62.5711 176.0063 49 Q 3.9633 7.9575 120.5200 58.9996 28.5018 178.4612 50 L 3.8994 8.3696 121.1996 58.5103 42.0039 178.9397 51 A 4.0209 8.6409 120.5665 55.5177 18.1638 178.9525 52 D 4.2826 8.4152 117.4795 57.1757 40.7913 178.4756 53 K 3.7667 8.3349 119.5245 59.9184 32.2392 178.1974 54 A 4.2671 8.0838 120.4767 55.6262 18.2508 179.4046 55 R 4.0104 8.2400 116.6241 59.7028 29.9760 179.0144 56 S 4.0876 8.3117 115.0986 61.3816 63.0506 176.2697 57 V 3.5386 8.5287 122.2339 66.4249 31.0187 178.1561 58 V 3.6188 8.3173 117.8065 66.2184 31.0842 178.2102 59 R 4.1863 7.5267 117.8201 58.4239 29.9149 178.0935 60 D 4.5895 7.7533 117.6976 56.4203 41.2543 178.5372 61 L 4.2420 7.9504 118.8601 56.3735 41.7294 177.0186 62 D 4.3403 7.2035 114.9615 52.9847 44.5545 174.6390 63 P 4.3839 0.0000 0.0000 65.0280 31.6616 177.0676 64 S 4.6305 9.3633 113.2313 57.8680 63.0061 173.1573 65 N 5.0776 7.8948 117.9805 52.1936 41.4109 173.1819 66 D 4.8494 8.3479 122.8463 52.2966 44.3617 175.4286 67 M 4.2628 8.7413 123.8642 55.8856 32.9101 175.6117 68 T 4.5307 8.2279 113.5628 62.2896 71.0801 174.2169 69 F 5.1487 7.7270 121.1731 57.1853 42.5399 172.9729 70 L 4.8489 9.0457 127.6954 53.2711 45.7338 175.3369 71 R 4.9935 8.1435 120.3937 55.0603 32.3475 174.2560 72 V 4.3823 8.7026 117.2746 59.3542 34.2913 174.7521 73 R 4.8065 8.5882 125.2896 54.7411 31.3984 175.6878 74 S 4.7306 9.0127 122.5952 56.7296 65.0408 174.2660 75 K 4.1553 8.3750 119.4949 59.0113 31.9921 178.7830 76 K 4.1530 7.7612 117.3330 58.3362 32.7315 175.4951 77 H 4.5474 6.9996 112.2187 55.4225 31.5353 172.3693 78 E 5.1491 8.8213 119.0755 54.5595 32.6706 174.4642 79 I 5.0275 8.8657 127.6624 59.8670 39.6091 174.6779 80 M 5.2267 9.0153 123.6659 53.7807 35.2948 175.3429 81 V 4.7442 8.6773 118.9389 62.3266 34.7749 173.1029 82 A 5.1109 8.9598 132.3003 50.0912 19.9805 173.3649 83 P 5.1254 0.0000 0.0000 61.5426 33.1315 176.3236 84 D 4.6910 8.7140 124.0016 53.3229 41.9860 174.8044 85 K 4.5683 8.8842 128.7045 56.1134 30.7905 176.0041 86 D 4.7482 7.7086 113.7137 52.4044 41.6256 174.2202 87 F 5.6554 7.9190 117.5028 56.0217 43.9768 173.4658 88 I 5.0621 9.0518 115.2126 59.2491 41.3864 173.7361 89 L 4.9002 8.7389 128.3348 53.8150 43.3763 175.0824 90 I 4.8388 8.5802 128.2495 60.6375 39.1679 175.6708 91 V 4.8715 8.8977 118.7467 59.9687 36.3274 174.1242 92 I 4.7025 8.2212 125.6225 60.1595 38.9319 174.6748 93 Q 4.9473 9.2278 127.1157 54.4645 33.0399 174.0677 94 N 5.0195 9.4714 123.0528 51.0093 39.0080 173.3199 95 P 4.5044 0.0000 0.0000 63.2093 31.8686 176.9246 96 T 4.4569 8.0901 113.4812 63.2323 67.9940 173.9035 *97 D 4.4530 8.2427 124.0438 52.9339 40.5341 178.1364 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 Q 8.20 4.37 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 4 E 8.47 4.10 0.00 2.06 2.03 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 2.39 2.27 0.00 5 V 8.44 3.56 2.05 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 1.09 0.00 0.00 0.89 0.00 0.00 6 E 8.00 3.98 0.00 2.08 1.95 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 2.37 2.39 0.00 7 E 8.08 4.24 0.00 1.97 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 0.00 2.29 2.33 0.00 8 T 7.27 4.22 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 1.17 0.00 0.00 9 L 7.89 3.96 0.00 1.72 1.68 0.86 0.78 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 10 K 7.58 4.25 0.00 1.97 1.79 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 11 R 7.57 4.04 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 12 I 7.51 4.03 1.85 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 1.48 0.56 0.90 0.00 0.00 13 Q 7.57 4.24 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 14 S 7.75 4.69 0.00 3.98 3.89 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 15 H 8.74 4.23 0.00 3.17 3.26 0.00 5.64 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 16 K 8.21 3.96 0.00 1.60 1.69 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 17 G 9.19 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 18 V 7.34 4.25 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 0.83 0.00 0.00 1.08 0.00 0.00 19 V 8.88 4.16 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 0.76 0.00 0.00 0.95 0.00 0.00 20 G 7.60 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 0.00 0.00 0.00 0.00 21 T 8.01 5.11 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 22 I 8.81 5.04 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.92 0.00 0.00 23 V 8.70 4.84 1.99 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 0.79 0.00 0.00 0.86 0.00 0.00 24 V 8.72 5.07 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 1.11 0.00 0.00 0.98 0.00 0.00 25 N 8.54 5.45 0.00 2.82 3.23 0.00 0.00 7.08 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 26 N 9.32 4.06 0.00 2.69 3.09 0.00 0.00 7.01 7.54 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 27 E 8.06 4.15 0.00 1.99 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 2.30 2.29 0.00 28 G 8.56 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 29 I 7.73 4.50 2.08 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 1.32 1.77 0.94 0.00 0.00 30 P 0.00 4.58 0.00 2.05 2.01 0.00 3.68 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 2.05 2.10 0.00 31 V 8.48 3.90 2.01 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 0.67 0.00 0.00 1.03 0.00 0.00 32 K 7.19 4.53 0.00 1.74 1.57 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.35 7.81 33 S 7.93 4.85 0.00 3.78 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 34 T 8.64 4.49 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 1.28 0.00 0.00 35 L 7.29 4.75 0.00 1.48 1.50 0.59 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.50 4.43 0.00 2.95 2.82 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 0.00 0.00 0.00 0.00 37 N 8.80 4.30 0.00 2.86 2.86 0.00 0.00 6.96 7.22 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 38 T 7.82 3.92 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 39 T 8.20 4.09 4.53 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 1.35 0.00 0.00 40 T 8.22 3.94 4.40 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 1.22 0.00 0.00 41 V 8.07 3.67 2.25 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 1.06 0.00 0.00 1.00 0.00 0.00 42 Q 8.03 3.76 0.00 2.51 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 43 Y 8.28 3.87 0.00 3.05 3.05 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 44 A 7.81 4.13 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 45 G 8.08 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 46 L 7.99 3.95 0.00 1.64 1.67 0.80 0.80 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 47 M 8.55 4.14 0.00 2.04 2.27 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 2.77 2.97 0.00 48 S 8.25 4.09 0.00 4.27 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 49 Q 7.96 3.96 0.00 2.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 50 L 8.37 3.90 0.00 1.79 1.86 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.64 4.02 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.42 4.28 0.00 2.97 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 53 K 8.33 3.77 0.00 1.86 1.97 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 54 A 8.08 4.27 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 55 R 8.24 4.01 0.00 2.28 1.97 0.00 3.11 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 56 S 8.31 4.09 0.00 4.10 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 57 V 8.53 3.54 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 0.99 0.00 0.00 0.96 0.00 0.00 58 V 8.32 3.62 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 0.99 0.00 0.00 0.95 0.00 0.00 59 R 7.53 4.19 0.00 2.03 1.98 0.00 3.33 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 60 D 7.75 4.59 0.00 2.67 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 61 L 7.95 4.24 0.00 1.76 1.73 0.92 0.76 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 62 D 7.20 4.34 0.00 2.58 2.46 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 63 P 0.00 4.38 0.00 2.08 2.09 0.00 3.72 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 2.02 2.07 0.00 64 S 9.36 4.63 0.00 3.84 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 65 N 7.89 5.08 0.00 2.64 2.78 0.00 0.00 6.92 8.47 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 66 D 8.35 4.85 0.00 2.66 2.52 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 67 M 8.74 4.26 0.00 2.00 1.99 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 2.62 2.64 0.00 68 T 8.23 4.53 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 1.26 0.00 0.00 69 F 7.73 5.15 0.00 2.85 2.93 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 0.00 70 L 9.05 4.85 0.00 1.74 1.44 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.14 4.99 0.00 1.89 1.52 0.00 2.21 0.00 0.00 2.66 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 72 V 8.70 4.38 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 0.70 0.00 0.00 0.95 0.00 0.00 73 R 8.59 4.81 0.00 1.74 1.80 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 74 S 9.01 4.73 0.00 3.81 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 75 K 8.37 4.16 0.00 1.72 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 76 K 7.76 4.15 0.00 1.52 1.81 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 77 H 7.00 4.55 0.00 3.43 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.82 5.15 0.00 2.04 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 0.00 2.20 2.43 0.00 79 I 8.87 5.03 1.93 0.00 0.00 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 1.44 0.89 0.99 0.00 0.00 80 M 9.02 5.23 0.00 2.13 2.54 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 81 V 8.68 4.74 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 0.93 0.00 0.00 0.99 0.00 0.00 82 A 8.96 5.11 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 83 P 0.00 5.13 0.00 2.12 2.11 0.00 3.95 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 84 D 8.71 4.69 0.00 2.67 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 85 K 8.88 4.57 0.00 1.75 2.19 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.31 7.81 86 D 7.71 4.75 0.00 1.92 2.49 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 0.00 87 F 7.92 5.66 0.00 2.97 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 88 I 9.05 5.06 1.94 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 1.19 0.93 0.97 0.00 0.00 89 L 8.74 4.90 0.00 1.78 1.62 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.58 4.84 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.96 0.00 0.00 91 V 8.90 4.87 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 0.77 0.00 0.00 0.95 0.00 0.00 92 I 8.22 4.70 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.57 0.73 0.00 0.00 93 Q 9.23 4.95 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 94 N 9.47 5.02 0.00 2.66 2.79 0.00 0.00 6.96 7.90 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 95 P 0.00 4.50 0.00 2.05 2.06 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 96 T 8.09 4.46 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 1.21 0.00 0.00 *97 D 8.24 4.45 0.00 2.48 2.47 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 * Residues marked with a * may have inaccurate shift predictions.