NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.5348 8.1801 120.5931 54.4943 43.0147 176.2683 6 A 4.1379 8.6678 126.3077 51.6048 19.6894 174.5289 7 D 5.3517 8.5098 120.3472 53.4300 43.2791 174.9517 8 V 4.4993 8.5373 120.4290 60.0149 34.9877 174.3988 9 C 4.6851 8.8812 122.8775 56.6183 35.8729 174.4636 10 R 3.7513 8.9173 125.1161 59.7392 29.7147 178.7395 11 T 3.9861 7.5016 106.3974 63.5261 68.8863 175.0479 12 K 4.2897 7.4152 119.7884 56.2348 32.7517 176.8458 13 L 3.8332 7.2750 119.0096 53.3922 42.3715 175.7906 14 P 4.2893 0.0000 0.0000 62.4678 33.2045 177.9135 15 S 4.1150 8.7137 116.4052 61.8428 62.5797 176.9740 16 Q 4.2039 8.0147 120.9414 58.5730 28.7494 177.8623 17 A 4.0308 7.8152 121.4103 55.2046 18.3173 179.5414 18 Q 3.9137 7.9268 116.4449 58.8696 28.8144 178.2883 19 D 4.3703 8.0505 120.0241 57.7991 40.8754 179.0765 20 T 3.9545 8.0474 116.0255 66.6793 68.4592 176.6897 21 L 3.9205 7.8898 120.4420 57.7577 41.4452 179.5433 22 A 3.9816 8.0855 120.7521 54.9818 18.3180 179.6229 23 L 3.8915 7.9212 117.5474 57.9801 41.6859 179.8520 24 I 3.7950 8.1450 120.8075 63.8573 36.8183 178.3227 25 A 4.0309 7.7187 120.1965 54.7854 18.2125 179.0269 26 K 4.0785 7.5638 114.9021 55.9495 33.0006 176.3113 27 N 4.1652 8.7786 115.8945 54.2504 36.8616 175.2418 28 G 2.8750 8.0051 107.0952 43.9498 0.0000 171.8266 29 P 4.0553 0.0000 0.0000 62.6936 32.1604 175.2686 30 Y 4.7050 8.0420 118.3233 56.2808 39.0347 175.1227 31 P 4.0819 0.0000 0.0000 64.7193 32.0968 176.0987 32 Y 4.9168 7.8308 115.9385 55.7309 40.1441 175.9677 33 N 4.1589 9.0215 122.6857 57.0705 39.2277 175.8089 34 R 4.3954 8.0026 114.1423 55.8886 30.6549 175.9072 35 D 4.4444 8.0244 119.7238 56.0549 41.0191 177.0605 36 G 3.3335 7.6853 112.7953 44.7331 0.0000 173.9625 37 V 3.8374 7.3969 113.6405 60.6162 32.9300 175.9276 38 V 3.8814 8.4179 123.3720 63.9338 32.3530 175.1082 39 F 4.6405 9.3584 131.0738 56.9543 39.4486 176.2119 40 E 3.7051 8.3837 126.7655 57.1656 29.9574 176.5548 41 N 3.5788 6.0656 114.6139 54.4573 37.5417 176.0888 42 R 3.9823 7.6232 116.7068 58.4491 29.2981 177.7909 43 E 4.1378 8.0236 115.6485 56.3616 29.7111 176.6817 44 S 3.7994 7.4907 114.0703 59.5304 61.1314 173.8956 45 R 4.1863 7.5709 118.3460 57.9441 30.4607 177.4393 46 L 4.2558 7.4472 116.6273 51.7915 43.2713 174.4617 47 P 4.1713 0.0000 0.0000 62.8029 31.6621 176.5094 48 K 3.9741 8.6409 123.8497 56.7599 32.4419 175.7541 49 K 4.4461 8.2933 124.0854 53.9191 36.2769 175.6953 50 G 3.8350 8.1702 108.5303 45.3758 0.0000 172.4980 51 N 4.3422 8.5751 118.1752 54.7065 39.3217 174.5411 52 G 3.9878 8.7698 111.3459 46.7441 0.0000 174.2285 53 Y 3.9743 7.7136 122.2545 59.2217 39.2584 174.8462 54 Y 5.8344 7.7004 116.3328 55.6697 41.2116 174.6571 55 H 5.5402 8.6479 118.6701 53.9149 32.8002 172.5302 56 E 5.3358 8.9407 119.3427 54.7782 32.8179 174.8605 57 F 5.2052 9.1179 119.0920 56.1526 43.6592 174.2093 58 T 4.5523 9.4957 119.7646 63.3588 69.3579 174.2449 59 V 4.5200 8.0718 125.2285 60.6744 33.5399 175.7394 60 V 3.4670 8.6939 127.6718 63.4990 31.8368 174.8093 61 T 4.3602 8.3131 122.0364 60.1054 68.0090 173.5547 62 P 4.4885 0.0000 0.0000 61.5560 30.1963 175.8860 *67 R 3.9094 7.6709 119.3971 55.0659 32.4080 176.0892 68 G 3.8229 7.9855 105.3475 44.7869 0.0000 171.8513 69 T 4.3045 7.9489 105.8688 62.0712 71.7058 174.9328 70 R 4.1927 7.7683 121.9953 56.3109 31.3251 175.9940 71 R 5.0843 8.3880 121.0885 54.5903 35.2644 173.9890 72 V 5.1261 8.8956 121.1546 61.2812 34.5552 174.3560 73 V 5.1430 8.8888 127.3661 61.4136 34.0321 174.4301 74 T 5.3017 9.3591 117.7973 60.1630 72.0137 173.3814 75 G 4.2992 9.0121 110.0182 44.0174 0.0000 174.7111 76 G 3.2302 5.8656 107.7435 47.3624 0.0000 174.1074 77 Y 4.4910 8.2196 115.8947 57.7376 38.5004 176.3243 78 G 4.0844 8.1787 108.3202 44.9371 0.0000 174.0204 79 E 4.1920 8.1776 119.1231 56.4190 30.9175 175.8779 80 Q 5.0402 8.2399 120.5236 54.4125 33.1941 173.7173 81 Y 5.2738 9.3327 120.7178 55.9682 41.9778 174.1798 82 W 5.4633 9.8417 133.2703 55.9019 33.7871 174.7751 83 S 4.1649 8.0284 120.8179 55.6054 63.9600 172.4296 84 P 3.8337 0.0000 0.0000 63.6307 31.6142 176.3074 85 D 4.4970 6.5856 119.5650 53.2456 39.9356 174.1718 86 H 3.3388 8.0540 113.7277 58.6843 28.0935 174.4692 87 Y 3.0206 7.8369 113.3418 58.2043 36.5848 171.2248 88 A 4.0709 7.5319 124.5359 54.7129 18.5352 177.8822 89 T 4.6944 7.5236 103.1663 60.1026 72.1485 172.9149 90 F 5.1846 8.3669 118.8823 56.1391 43.1637 174.1623 91 Q 4.9984 9.3486 121.7914 54.0242 32.1614 174.3812 92 E 4.4507 9.2073 125.1853 55.9087 31.0191 175.4465 93 I 4.5110 8.4266 129.0216 61.0111 38.1471 175.1259 94 D 4.7371 9.7335 129.6066 52.3909 41.3997 175.1682 95 P 4.4300 0.0000 0.0000 64.3164 31.8676 177.8246 96 R 4.0997 8.0584 118.6122 58.4072 30.4115 174.1299 97 C 4.5622 7.9428 116.7583 55.4117 42.9589 173.5616 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 5 L 8.18 4.53 0.00 1.66 1.85 1.05 0.68 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 6 A 8.67 4.14 1.33 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 0.00 0.00 7 D 8.51 5.35 0.00 2.60 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 8 V 8.54 4.50 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 0.91 0.00 0.00 0.91 0.00 0.00 9 C 8.88 4.69 0.00 2.98 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 10 R 8.92 3.75 0.00 1.87 2.01 0.00 3.18 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 11 T 7.50 3.99 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 1.22 0.00 0.00 12 K 7.42 4.29 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.36 7.81 13 L 7.27 3.83 0.00 1.46 0.98 0.70 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.29 0.00 2.03 1.92 0.00 2.72 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 15 S 8.71 4.11 0.00 4.01 4.11 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 0.00 0.00 0.00 16 Q 8.01 4.20 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 17 A 7.82 4.03 0.77 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 0.00 0.00 18 Q 7.93 3.91 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 19 D 8.05 4.37 0.00 2.93 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 20 T 8.05 3.95 4.46 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 1.32 0.00 0.00 21 L 7.89 3.92 0.00 1.83 1.68 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.09 3.98 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 23 L 7.92 3.89 0.00 1.99 1.83 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.14 3.79 1.82 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 -0.01 0.97 0.74 0.00 0.00 25 A 7.72 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.08 0.00 1.76 1.85 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.64 7.81 27 N 8.78 4.17 0.00 2.84 2.91 0.00 0.00 7.03 7.82 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 28 G 8.01 2.87 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 29 P 0.00 4.06 0.00 2.10 1.96 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 30 Y 8.04 4.70 0.00 3.25 3.25 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 31 P 0.00 4.08 0.00 1.09 1.86 0.00 4.11 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 32 Y 7.83 4.92 0.00 3.34 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 33 N 9.02 4.16 0.00 2.76 2.96 0.00 0.00 7.02 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 34 R 8.00 4.40 0.00 1.92 1.94 0.00 3.38 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 35 D 8.02 4.44 0.00 2.87 2.60 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 0.00 0.00 0.00 0.00 36 G 7.69 3.33 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 0.00 0.00 0.00 37 V 7.40 3.84 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 0.69 0.00 0.00 0.95 0.00 0.00 38 V 8.42 3.88 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 0.75 0.00 0.00 0.91 0.00 0.00 39 F 9.36 4.64 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 40 E 8.38 3.71 0.00 1.80 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 2.25 2.21 0.00 41 N 6.07 3.58 0.00 2.90 2.82 0.00 0.00 7.04 7.53 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 42 R 7.62 3.98 0.00 1.70 1.88 0.00 3.13 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 43 E 8.02 4.14 0.00 2.04 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 0.00 2.36 2.26 0.00 44 S 7.49 3.80 0.00 3.99 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 45 R 7.57 4.19 0.00 2.08 2.24 0.00 3.53 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 46 L 7.45 4.26 0.00 1.09 0.76 -0.68 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.17 0.00 2.14 2.07 0.00 3.54 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 2.19 2.16 0.00 48 K 8.64 3.97 0.00 1.68 1.71 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.50 7.81 49 K 8.29 4.45 0.00 1.25 0.77 0.00 1.02 0.00 0.00 1.38 0.00 0.00 2.59 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 0.21 7.81 50 G 8.17 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 0.00 0.00 0.00 51 N 8.58 4.34 0.00 2.69 2.74 0.00 0.00 6.95 7.98 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 52 G 8.77 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 53 Y 7.71 3.97 0.00 3.10 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 54 Y 7.70 5.83 0.00 3.48 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 55 H 8.65 5.54 0.00 3.22 2.94 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.94 5.34 0.00 2.28 2.20 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 2.31 2.31 0.00 57 F 9.12 5.21 0.00 3.01 2.98 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 58 T 9.50 4.55 4.47 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 1.00 0.00 0.00 59 V 8.07 4.52 2.31 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 0.94 0.00 0.00 1.16 0.00 0.00 60 V 8.69 3.47 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 1.14 0.00 0.00 61 T 8.31 4.36 4.22 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 1.18 0.00 0.00 62 P 0.00 4.49 0.00 2.23 2.09 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *67 R 7.67 3.91 0.00 1.75 1.95 0.00 3.28 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.36 0.00 68 G 7.99 3.82 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 0.00 0.00 0.00 69 T 7.95 4.30 4.17 0.00 0.00 0.00 0.00 0.00 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 70 R 7.77 4.19 0.00 2.03 2.11 0.00 3.13 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.65 0.00 71 R 8.39 5.08 0.00 1.16 1.58 0.00 3.27 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 72 V 8.90 5.13 2.31 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 1.18 0.00 0.00 1.20 0.00 0.00 73 V 8.89 5.14 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 0.67 0.00 0.00 0.61 0.00 0.00 74 T 9.36 5.30 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 1.31 0.00 0.00 75 G 9.01 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 0.00 0.00 0.00 0.00 76 G 5.87 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.22 4.49 0.00 3.21 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 78 G 8.18 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.18 4.19 0.00 2.20 1.70 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 2.61 2.53 0.00 80 Q 8.24 5.04 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 81 Y 9.33 5.27 0.00 2.97 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 82 W 9.84 5.46 0.00 3.33 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.16 0.00 3.16 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 84 P 0.00 3.83 0.00 2.07 2.05 0.00 3.18 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 85 D 6.59 4.50 0.00 2.71 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 86 H 8.05 3.34 0.00 3.18 3.26 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.84 3.02 0.00 3.22 3.30 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 88 A 7.53 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 4.69 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 90 F 8.37 5.18 0.00 2.89 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 91 Q 9.35 5.00 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 92 E 9.21 4.45 0.00 2.19 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 2.17 1.93 0.00 93 I 8.43 4.51 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.87 0.00 0.00 94 D 9.73 4.74 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.43 0.00 2.20 2.13 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 96 R 8.06 4.10 0.00 2.18 2.02 0.00 3.10 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 97 C 7.94 4.56 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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.