NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 I 4.1497 8.0249 118.5341 59.5946 37.2701 173.8168 2 Q 4.6354 8.4586 116.6092 56.7223 29.4066 174.5844 3 R 4.8258 9.5347 122.9233 54.6563 35.1170 173.9586 4 T 4.9895 8.7911 116.6239 59.4236 68.7006 172.6666 5 P 4.8521 0.0000 0.0000 63.1274 32.4014 175.3888 6 K 4.7530 9.2513 121.4175 54.9321 34.7867 175.3363 7 I 5.0759 8.3791 123.8420 59.5660 40.3801 174.4643 8 Q 4.7067 9.2253 128.1415 54.3330 31.7180 173.9198 9 V 5.1563 8.5457 126.6286 61.6448 33.4210 174.1403 10 Y 5.2814 8.7162 124.1290 56.2841 41.4825 173.4855 11 S 4.6644 9.0476 115.7909 57.4826 64.2025 173.9230 12 R 4.1636 9.4086 124.1725 59.4805 30.1972 176.2050 13 H 5.3019 8.3785 113.2337 52.7889 32.4944 172.3723 14 P 4.2480 0.0000 0.0000 62.9242 31.6139 176.3282 15 A 4.2070 8.7940 126.2125 52.4187 18.8015 176.9367 16 E 4.4795 8.6435 123.0877 54.9919 32.1816 174.4915 17 N 4.7232 8.1929 121.2357 54.4563 38.9440 175.7343 18 G 4.0439 9.0854 110.2530 45.0725 0.0000 173.1442 19 K 4.8612 7.0377 119.4438 55.6322 34.4887 175.0979 20 S 4.3881 7.4637 112.9060 58.3592 65.9993 174.2729 21 N 4.0864 6.7757 115.9245 53.3340 41.9750 173.0173 22 F 5.4059 8.1998 114.8970 55.9520 43.4381 173.9330 23 L 3.8560 8.4540 124.5801 53.7622 43.2791 175.0339 24 N 5.3697 8.9597 124.0729 51.4297 42.3614 172.7545 25 C 5.3622 9.6835 122.3181 55.1945 46.3050 172.0086 26 Y 5.4194 9.5119 129.4387 56.4606 40.1778 174.4466 27 V 5.0888 8.8420 121.6538 59.9303 34.0917 175.4927 28 S 4.9796 9.0296 118.5712 57.8869 66.9978 174.4830 29 G 4.2869 8.7062 106.5898 47.0574 0.0000 173.3140 30 F 5.3968 7.4767 113.6854 55.4354 41.3250 173.7942 31 H 5.3316 9.0552 118.7590 54.7582 33.7394 171.8751 32 P 4.9350 0.0000 0.0000 62.1655 32.3457 176.2225 33 S 3.7803 8.4179 113.3544 60.7435 63.0073 174.3971 34 D 4.3094 7.9217 120.6715 54.7694 41.2115 174.8154 35 I 4.4366 7.6703 123.8523 60.1354 41.1858 172.6334 36 E 4.5930 8.9333 128.3053 54.3026 32.4763 174.5860 37 V 4.6439 8.0298 125.7006 61.0769 34.5835 174.0831 38 D 4.9252 9.1640 126.8557 52.4465 45.0727 174.4720 39 L 4.9606 8.4245 121.9960 53.4588 43.8059 175.3655 40 L 5.1935 9.2206 123.9208 52.7169 45.3029 175.4975 41 K 4.2563 8.8108 124.1966 54.5136 34.3411 175.7463 42 N 4.1188 9.6580 127.7117 54.3768 36.5813 175.8875 43 G 3.9436 8.4508 104.4540 45.4115 0.0000 173.6558 44 E 4.6610 7.6693 119.4439 54.0606 31.6399 175.6827 45 R 4.3663 8.3191 121.5966 56.0991 30.7012 176.7469 46 I 4.0106 8.6160 124.9628 60.9693 37.8813 176.1529 47 E 4.0561 8.9247 125.0630 59.1384 29.5854 177.5094 48 K 4.1747 7.8455 119.1031 55.7115 32.9044 176.4222 49 V 4.2377 7.8832 122.2781 61.5413 32.4925 172.3196 50 E 4.3801 8.5794 127.3410 55.8081 31.5750 174.9049 51 H 5.4951 7.7755 114.4375 55.2467 31.0303 173.4608 52 S 4.5679 8.5132 115.1613 57.8411 64.5346 173.0145 53 D 4.5068 8.4328 119.7732 53.2274 41.3385 176.1714 54 L 3.9696 8.5336 125.2022 56.1102 42.7362 175.6637 55 S 4.7663 8.0279 120.6104 56.5477 66.5545 171.8921 56 F 5.2486 7.4633 114.6165 55.6302 40.9108 174.4086 57 S 4.6689 8.8916 116.7828 56.9552 64.3231 175.1537 58 K 3.5035 8.5616 121.8703 59.7774 31.6060 176.7957 59 D 4.3626 7.7954 115.0760 52.8010 39.3660 177.2186 60 W 3.4972 7.8561 119.1086 56.9689 28.2158 174.6583 61 S 4.3288 7.7318 114.0896 58.1332 64.0018 174.2461 62 F 5.0223 8.6912 121.8970 57.5501 40.3231 173.9445 63 Y 5.4778 8.1064 117.0225 55.9487 41.5890 173.9588 64 L 5.1773 9.6994 121.4893 53.1119 46.8566 174.8329 65 L 5.4835 8.9952 124.6575 53.7750 44.5818 174.4268 66 Y 5.0631 9.5749 124.8234 56.3884 40.5925 174.5067 67 Y 5.6988 8.2684 121.0073 55.5894 42.2280 173.7419 68 T 5.0796 8.3051 113.4318 60.8008 71.1028 172.2105 69 E 4.2194 9.0650 128.8425 56.2723 30.1349 175.4932 70 F 4.8639 8.9727 119.6813 56.3016 41.9811 173.5383 71 T 4.1462 8.2185 116.9559 60.6643 68.9565 172.5774 72 P 4.4584 0.0000 0.0000 62.7589 31.8857 175.9625 73 T 4.9596 8.3398 111.3059 59.8529 72.2404 173.5872 74 E 4.1494 8.9141 119.9003 59.7928 29.6798 179.0303 75 K 4.1083 8.1273 116.2253 59.1641 32.4714 177.4346 76 D 4.2988 7.7728 118.3735 54.9282 41.0996 175.6481 77 E 4.7495 9.1803 125.9146 55.4377 31.7092 174.4688 78 Y 5.3662 8.6739 121.2399 56.6793 42.6166 174.0023 79 A 5.0567 8.8373 122.4029 51.4491 24.0048 174.2796 80 C 5.2039 9.1212 118.7823 54.9980 43.2137 172.5640 81 R 5.0398 9.1331 127.9053 54.8998 31.6480 175.0166 82 V 4.7971 9.1687 126.2913 60.9983 34.9104 173.5364 83 N 5.3339 9.1600 125.4429 52.1746 42.1680 172.3898 84 H 5.0763 8.6319 123.5748 54.7688 32.9275 174.3897 85 V 3.6446 8.5098 124.2908 64.9938 30.9437 177.2043 86 T 4.1691 7.8081 108.6153 62.3686 69.2907 173.7786 87 L 4.8491 7.9130 122.7623 53.2614 43.9246 176.6942 88 S 4.4209 8.5476 117.2579 60.6091 63.4382 174.8598 89 Q 4.5357 7.5705 116.3417 52.9601 32.4749 172.6289 90 P 4.4121 0.0000 0.0000 62.9544 31.9334 176.0570 91 K 4.2346 8.8449 127.2492 56.2681 33.4411 175.5962 92 I 5.0332 8.3319 127.0031 59.4584 40.4875 174.8380 93 V 4.4412 8.5361 126.0825 60.9716 34.0822 174.6860 94 K 4.8477 8.7591 127.4261 55.5710 33.2157 176.4932 95 W 4.5122 9.2561 135.0000 57.3532 31.5663 174.8835 96 D 4.4367 8.4920 126.4430 51.8509 42.2004 176.4101 97 R 3.7141 7.4968 123.8170 58.5946 29.3482 177.0138 98 D 4.6693 8.0717 117.1162 54.9508 41.1568 176.2926 99 M 4.3986 8.1043 124.9804 55.5849 33.0759 174.8535 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 *1 I 8.02 4.15 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 1.41 1.21 0.91 0.00 0.00 2 Q 8.46 4.64 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 3 R 9.53 4.83 0.00 1.85 1.92 0.00 3.17 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 4 T 8.79 4.99 4.31 0.00 0.00 0.00 0.00 0.00 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 5 P 0.00 4.85 0.00 2.00 1.74 0.00 3.82 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 6 K 9.25 4.75 0.00 1.84 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.62 7.81 7 I 8.38 5.08 1.91 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 1.20 0.61 0.95 0.00 0.00 8 Q 9.23 4.71 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 9 V 8.55 5.16 2.33 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 1.02 0.00 0.00 1.12 0.00 0.00 10 Y 8.72 5.28 0.00 3.15 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 11 S 9.05 4.66 0.00 4.37 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 12 R 9.41 4.16 0.00 1.94 2.28 0.00 3.00 0.00 0.00 3.60 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 13 H 8.38 5.30 0.00 3.12 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.25 0.00 2.10 2.09 0.00 3.76 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 2.08 2.18 0.00 15 A 8.79 4.21 1.65 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 16 E 8.64 4.48 0.00 2.00 1.85 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 2.33 2.50 0.00 17 N 8.19 4.72 0.00 2.72 2.80 0.00 0.00 7.56 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 18 G 9.09 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 19 K 7.04 4.86 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.42 7.81 20 S 7.46 4.39 0.00 3.72 3.61 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 21 N 6.78 4.09 0.00 2.83 2.92 0.00 0.00 7.09 8.00 0.00 0.00 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 F 8.20 5.41 0.00 2.93 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 23 L 8.45 3.86 0.00 0.27 0.69 -0.60 0.11 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 24 N 8.96 5.37 0.00 1.44 2.13 0.00 0.00 6.04 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 25 C 9.68 5.36 0.00 2.92 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 26 Y 9.51 5.42 0.00 3.37 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 V 8.84 5.09 1.92 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 0.56 0.00 0.00 0.99 0.00 0.00 28 S 9.03 4.98 0.00 3.94 3.52 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 29 G 8.71 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 0.00 0.00 0.00 30 F 7.48 5.40 0.00 2.92 3.15 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 31 H 9.06 5.33 0.00 3.32 3.49 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.93 0.00 2.15 2.18 0.00 3.89 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 2.03 2.00 0.00 33 S 8.42 3.78 0.00 3.40 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 34 D 7.92 4.31 0.00 2.61 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 35 I 7.67 4.44 1.52 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.59 0.73 0.00 0.00 36 E 8.93 4.59 0.00 1.95 1.64 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 2.08 2.14 0.00 37 V 8.03 4.64 0.67 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 0.43 0.00 0.00 0.43 0.00 0.00 38 D 9.16 4.93 0.00 2.46 2.44 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 39 L 8.42 4.96 0.00 1.56 1.59 0.87 0.62 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 40 L 9.22 5.19 0.00 1.52 1.61 0.91 0.69 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 41 K 8.81 4.26 0.00 1.68 1.56 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.09 0.74 7.81 42 N 9.66 4.12 0.00 2.76 2.81 0.00 0.00 7.15 7.26 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 43 G 8.45 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 44 E 7.67 4.66 0.00 2.12 1.83 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 2.22 2.22 0.00 45 R 8.32 4.37 0.00 1.79 1.87 0.00 3.19 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 46 I 8.62 4.01 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 1.03 0.00 0.00 47 E 8.92 4.06 0.00 1.97 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 0.00 2.32 2.25 0.00 48 K 7.85 4.17 0.00 1.72 1.74 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 49 V 7.88 4.24 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 0.72 0.00 0.00 1.08 0.00 0.00 50 E 8.58 4.38 0.00 1.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 51 H 7.78 5.50 0.00 2.03 1.60 0.00 5.33 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.51 4.57 0.00 4.00 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 53 D 8.43 4.51 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.53 3.97 0.00 1.64 1.64 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.03 4.77 0.00 3.65 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 56 F 7.46 5.25 0.00 2.82 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 57 S 8.89 4.67 0.00 4.14 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 58 K 8.56 3.50 0.00 1.58 1.73 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.23 7.81 59 D 7.80 4.36 0.00 2.80 2.68 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 0.00 0.00 0.00 60 W 7.86 3.50 0.00 3.22 2.92 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 0.00 0.00 0.00 0.00 61 S 7.73 4.33 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.69 5.02 0.00 1.51 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 63 Y 8.11 5.48 0.00 2.78 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 64 L 9.70 5.18 0.00 1.86 1.85 1.19 0.48 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 65 L 9.00 5.48 0.00 2.21 1.79 1.26 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.57 5.06 0.00 3.02 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 67 Y 8.27 5.70 0.00 2.86 3.14 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 0.00 0.00 0.00 0.00 68 T 8.31 5.08 4.31 0.00 0.00 0.00 0.00 0.00 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 69 E 9.07 4.22 0.00 1.81 1.74 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 1.96 1.51 0.00 70 F 8.97 4.86 0.00 2.94 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 71 T 8.22 4.15 4.19 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 0.00 0.00 0.00 1.14 0.00 0.00 72 P 0.00 4.46 0.00 2.35 2.01 0.00 3.11 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 73 T 8.34 4.96 4.30 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 1.26 0.00 0.00 74 E 8.91 4.15 0.00 2.01 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 2.34 2.36 0.00 75 K 8.13 4.11 0.00 1.76 1.88 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.54 7.81 76 D 7.77 4.30 0.00 2.91 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 77 E 9.18 4.75 0.00 2.07 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 2.32 2.36 0.00 78 Y 8.67 5.37 0.00 3.23 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 79 A 8.84 5.06 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 80 C 9.12 5.20 0.00 2.99 2.94 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 81 R 9.13 5.04 0.00 1.84 1.71 0.00 3.05 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 82 V 9.17 4.80 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 0.70 0.00 0.00 0.78 0.00 0.00 83 N 9.16 5.33 0.00 2.64 2.52 0.00 0.00 6.45 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 84 H 8.63 5.08 0.00 3.08 3.03 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.51 3.64 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 0.68 0.00 0.00 0.90 0.00 0.00 86 T 7.81 4.17 4.31 0.00 0.00 0.00 0.00 0.00 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 87 L 7.91 4.85 0.00 1.60 1.74 0.90 0.75 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 88 S 8.55 4.42 0.00 3.86 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 89 Q 7.57 4.54 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 90 P 0.00 4.41 0.00 1.91 1.98 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 K 8.84 4.23 0.00 1.85 1.65 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 92 I 8.33 5.03 1.88 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 1.22 0.96 0.92 0.00 0.00 93 V 8.54 4.44 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 1.06 0.00 0.00 0.97 0.00 0.00 94 K 8.76 4.85 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.48 7.81 95 W 9.26 4.51 0.00 3.23 3.42 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 96 D 8.49 4.44 0.00 2.59 2.41 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 97 R 7.50 3.71 0.00 1.87 1.19 0.00 2.99 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.47 0.00 98 D 8.07 4.67 0.00 2.75 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 99 M 8.10 4.40 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.