NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3516 0.0000 0.0000 61.2719 32.3927 177.3829 5 E 4.7514 8.1336 127.3460 56.1803 31.0568 172.6358 6 T 4.5599 8.8397 107.8043 60.7816 72.0115 174.7207 7 R 4.0155 8.4064 119.4604 55.7129 30.6679 174.7852 8 P 2.9700 0.0000 0.0000 62.8324 31.8444 175.1016 9 N 4.7569 7.0778 116.2291 52.7801 41.6941 174.3200 10 H 4.4858 8.9554 119.4070 58.3596 30.1128 175.2086 11 T 5.2782 8.9321 116.0478 61.7646 70.9701 173.7237 12 I 4.8592 8.7556 119.4232 59.3911 40.5029 173.7078 13 Y 4.5882 9.2429 127.4740 56.2086 40.2951 174.0139 14 I 4.8529 8.0816 128.3083 59.5937 40.0111 174.7235 15 N 5.2151 8.5897 123.0732 51.7742 40.9766 173.1057 16 N 4.2739 8.7029 113.7919 54.8241 36.6233 173.6932 17 L 4.5071 7.5897 115.5504 52.6612 42.9826 175.8851 18 N 4.4438 8.6990 120.1561 54.0603 38.7682 175.5457 19 E 4.0582 8.6558 125.8400 58.5824 29.8118 178.3173 20 K 4.1150 8.4915 117.6417 57.6588 32.4470 177.0833 21 I 3.9248 6.8862 120.6821 59.8919 37.9559 176.7094 22 K 4.0938 8.3209 124.2368 55.9044 33.9539 177.8083 23 K 3.8214 8.5931 122.4519 60.1247 32.0714 178.5491 24 D 4.3535 8.0642 117.4723 57.2699 41.0660 177.7540 25 E 3.9535 8.0759 119.3338 59.1014 29.9547 178.0703 26 L 4.0713 8.0016 120.4471 58.2703 42.2170 178.9631 27 K 3.9931 8.1286 118.1579 59.6357 32.0752 179.4511 28 K 4.0838 7.9632 118.0455 59.7557 32.0650 179.7668 29 S 4.3937 8.6403 115.4056 61.3026 62.6724 176.8262 30 L 4.2426 8.0921 121.8291 57.9369 41.3716 178.7149 31 H 4.1929 8.3389 117.5916 59.1867 29.5883 176.9319 32 A 4.0262 7.9988 121.4281 55.5760 18.2794 179.4077 33 I 3.6785 7.5659 116.3233 63.5880 37.4879 177.7223 34 F 5.0612 8.6816 117.5164 57.9714 39.5173 177.9492 35 S 4.2003 8.4506 115.1795 61.2783 62.2887 176.6425 36 R 3.9056 7.8479 118.4233 58.7579 29.3322 177.9603 37 F 4.4620 8.3627 117.0683 58.0195 39.3361 175.4284 38 G 4.3841 7.1272 104.7455 44.0612 0.0000 172.0947 39 Q 4.2679 8.3196 121.2185 56.2203 30.2906 174.8885 40 I 4.6720 8.2344 126.0283 59.6616 38.7887 175.6337 41 L 4.1798 9.1583 128.3513 57.4669 42.3286 176.5246 42 D 4.4037 7.2170 115.7567 53.9566 44.7013 174.9188 43 I 5.0250 8.3505 121.4549 59.4941 40.5906 174.8586 44 L 4.7614 8.8730 127.4516 53.0233 43.7392 175.8520 45 V 4.8038 8.3796 122.8584 61.2209 34.8965 174.3208 46 S 4.7122 8.6270 120.2175 56.6137 66.1391 174.0127 47 R 4.5978 8.5091 123.1464 55.7913 30.3649 176.4083 48 S 4.3567 7.3925 112.4691 57.7445 63.5175 174.0819 49 L 4.0455 8.4929 122.4910 58.2270 41.7315 177.5732 50 K 4.3505 7.4391 116.0535 56.5280 31.7579 176.6447 *52 R 4.1609 7.2207 114.6655 57.3219 30.4493 176.2271 53 G 3.9010 8.7517 106.6975 45.7326 0.0000 172.6593 54 Q 4.9461 7.3283 117.0498 54.0754 32.7084 174.6303 55 A 4.8068 8.1961 121.3183 50.8643 23.5026 175.2685 56 F 5.0533 8.9750 119.2564 55.7239 41.8995 174.7130 57 V 4.2723 8.4985 124.8015 61.1752 33.4010 174.7480 58 I 4.4819 8.3226 130.4887 60.2693 36.7084 175.1988 59 F 5.0980 9.0837 126.9331 56.1557 40.3299 177.4549 60 K 4.3428 8.9187 123.3202 58.6492 32.9234 177.0033 61 E 4.7606 7.9851 117.2565 53.5421 32.9609 176.6728 62 V 3.5873 8.4839 122.7290 66.2050 31.3197 178.3653 63 S 4.0949 7.9999 113.5308 61.3016 62.3304 176.6033 64 S 3.9832 7.9826 118.5139 61.3400 62.5784 176.4032 65 A 3.4318 7.5036 122.7899 55.2879 18.1036 179.6606 66 T 3.9266 8.1032 115.8318 66.2225 68.4617 176.5344 67 N 4.2437 8.2617 118.8768 56.5901 38.8230 176.8342 68 A 2.0000 7.3893 121.3895 54.3158 18.3458 179.0800 69 L 3.8923 7.3393 118.2188 58.0977 42.1611 179.1581 70 R 4.0909 7.3977 116.8363 59.1499 30.1330 178.6335 71 S 4.2170 7.6713 110.3775 59.2234 62.1944 173.6298 *73 Q 3.8891 8.0024 121.3150 57.1688 29.2023 175.2261 74 G 3.9275 9.0630 112.7311 45.4844 0.0000 172.7814 75 F 4.0515 8.1010 121.9021 57.3341 39.6532 172.8386 76 P 4.3644 0.0000 0.0000 62.5456 30.9389 175.3566 77 F 4.8990 8.9914 126.4985 57.5058 41.5239 174.7226 78 Y 3.4638 8.8941 125.8619 59.3585 35.3151 171.0494 79 D 4.6309 8.4730 114.6379 54.5309 38.7265 174.2916 80 K 4.6710 7.8878 118.5188 53.8258 35.7348 175.6887 81 P 4.7865 0.0000 0.0000 62.2190 32.6128 175.0164 *83 R 4.3538 8.3076 116.4911 56.9536 31.4717 174.9239 84 I 5.0619 8.7575 124.2703 59.7785 40.3214 174.8745 85 Q 4.5721 8.9230 123.3610 54.4812 33.7178 173.6992 86 Y 4.7628 8.4391 117.5625 57.7399 39.2871 175.4463 87 A 4.3420 8.9688 125.0829 51.9374 18.6805 178.4049 88 K 4.1060 8.8798 120.2435 58.9697 32.5247 177.6111 89 T 4.7700 7.4633 112.6752 61.1905 72.2765 173.3211 90 D 4.5633 8.4470 123.0513 54.5092 41.7646 177.2903 91 S 4.4744 8.3173 117.9192 57.8504 65.2679 175.2511 92 D 4.3683 8.5734 124.0219 57.9201 40.3468 179.3865 93 I 3.4564 7.6535 118.7165 64.4068 37.1474 178.0266 94 I 3.8700 7.5778 119.1886 64.1018 37.2185 177.7730 95 A 4.1831 7.7663 120.7869 54.5818 18.2364 179.4873 96 K 3.8744 8.3241 115.6056 57.0928 31.7269 176.7952 *98 K 4.0990 8.0544 122.1307 56.2221 32.3746 175.6835 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 P 0.00 4.35 0.00 2.06 1.48 0.00 3.73 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 1.92 2.08 0.00 5 E 8.13 4.75 0.00 2.21 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 2.05 2.41 0.00 6 T 8.84 4.56 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 1.22 0.00 0.00 7 R 8.41 4.02 0.00 1.75 1.80 0.00 3.37 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 8 P 0.00 2.97 0.00 1.73 1.54 0.00 3.52 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 9 N 7.08 4.76 0.00 2.59 2.89 0.00 0.00 7.06 7.89 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 10 H 8.96 4.49 0.00 3.24 3.67 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.93 5.28 4.41 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 1.47 0.00 0.00 12 I 8.76 4.86 1.80 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.96 0.00 0.00 13 Y 9.24 4.59 0.00 2.85 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 14 I 8.08 4.85 1.62 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.27 0.91 0.00 0.00 15 N 8.59 5.22 0.00 2.54 2.37 0.00 0.00 6.98 7.79 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 16 N 8.70 4.27 0.00 2.90 3.10 0.00 0.00 6.88 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 17 L 7.59 4.51 0.00 1.81 1.64 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.70 4.44 0.00 2.73 2.54 0.00 0.00 7.09 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 19 E 8.66 4.06 0.00 1.98 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 2.38 2.49 0.00 20 K 8.49 4.12 0.00 1.81 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.37 7.81 21 I 6.89 3.92 1.38 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 0.55 0.00 0.00 22 K 8.32 4.09 0.00 1.77 1.71 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 23 K 8.59 3.82 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.53 7.81 24 D 8.06 4.35 0.00 2.83 2.66 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 25 E 8.08 3.95 0.00 2.10 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 0.00 2.52 2.46 0.00 26 L 8.00 4.07 0.00 1.84 1.85 1.16 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.13 3.99 0.00 2.09 1.90 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.28 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.63 7.81 28 K 7.96 4.08 0.00 2.01 1.93 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.60 7.81 29 S 8.64 4.39 0.00 4.30 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 0.00 30 L 8.09 4.24 0.00 2.07 1.85 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.34 4.19 0.00 3.34 3.52 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.00 4.03 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 33 I 7.57 3.68 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 -0.05 -0.15 0.00 0.00 34 F 8.68 5.06 0.00 3.13 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 35 S 8.45 4.20 0.00 3.94 3.95 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 36 R 7.85 3.91 0.00 1.68 1.91 0.00 2.21 0.00 0.00 2.74 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.00 37 F 8.36 4.46 0.00 3.32 3.11 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 38 G 7.13 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 4.27 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 40 I 8.23 4.67 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.98 0.79 0.00 0.00 41 L 9.16 4.18 0.00 1.58 1.71 0.94 1.05 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 42 D 7.22 4.40 0.00 2.72 2.43 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 0.00 0.00 0.00 0.00 43 I 8.35 5.02 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.96 0.00 0.00 44 L 8.87 4.76 0.00 1.65 1.60 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.38 4.80 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 0.80 0.00 0.00 0.97 0.00 0.00 46 S 8.63 4.71 0.00 3.92 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 47 R 8.51 4.60 0.00 1.82 1.90 0.00 3.25 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 48 S 7.39 4.36 0.00 4.03 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 49 L 8.49 4.05 0.00 1.61 1.76 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.44 4.35 0.00 1.63 1.85 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.44 7.81 *52 R 7.22 4.16 0.00 2.01 2.38 0.00 3.21 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 53 G 8.75 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 0.00 0.00 0.00 54 Q 7.33 4.95 0.00 1.95 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 55 A 8.20 4.81 1.11 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 0.00 0.00 56 F 8.98 5.05 0.00 3.00 2.97 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 0.00 0.00 0.00 57 V 8.50 4.27 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 0.21 0.00 0.00 0.49 0.00 0.00 58 I 8.32 4.48 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 1.26 0.40 0.93 0.00 0.00 59 F 9.08 5.10 0.00 3.16 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 60 K 8.92 4.34 0.00 1.87 1.94 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.47 7.81 61 E 7.99 4.76 0.00 2.03 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 2.27 2.28 0.00 62 V 8.48 3.59 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 1.11 0.00 0.00 0.61 0.00 0.00 63 S 8.00 4.09 0.00 4.07 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 64 S 7.98 3.98 0.00 3.72 3.53 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 65 A 7.50 3.43 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 66 T 8.10 3.93 4.41 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 1.27 0.00 0.00 67 N 8.26 4.24 0.00 2.95 2.90 0.00 0.00 7.13 7.66 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 68 A 7.39 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.34 3.89 0.00 1.38 1.67 0.75 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.40 4.09 0.00 1.77 1.94 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 71 S 7.67 4.22 0.00 3.98 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 *73 Q 8.00 3.89 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.06 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 74 G 9.06 3.93 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 0.00 0.00 0.00 75 F 8.10 4.05 0.00 2.92 2.97 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 0.00 0.00 0.00 76 P 0.00 4.36 0.00 1.72 1.86 0.00 2.66 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 77 F 8.99 4.90 0.00 3.09 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 78 Y 8.89 3.46 0.00 2.99 2.83 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 79 D 8.47 4.63 0.00 2.87 2.83 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 80 K 7.89 4.67 0.00 1.86 1.69 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.41 7.81 81 P 0.00 4.79 0.00 2.06 2.05 0.00 3.73 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 2.10 0.00 *83 R 8.31 4.35 0.00 2.05 1.97 0.00 3.09 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 84 I 8.76 5.06 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.81 0.00 0.00 85 Q 8.92 4.57 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 86 Y 8.44 4.76 0.00 2.93 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 87 A 8.97 4.34 1.60 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 0.00 0.00 88 K 8.88 4.11 0.00 1.76 1.89 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.38 7.81 89 T 7.46 4.77 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 90 D 8.45 4.56 0.00 2.66 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 91 S 8.32 4.47 0.00 3.85 3.71 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 92 D 8.57 4.37 0.00 2.71 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 93 I 7.65 3.46 1.85 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 1.60 0.71 0.90 0.00 0.00 94 I 7.58 3.87 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.75 0.00 0.00 95 A 7.77 4.18 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 96 K 8.32 3.87 0.00 1.92 1.80 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *98 K 8.05 4.10 0.00 1.80 1.75 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.