NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6313 8.3649 120.3235 53.1525 40.6052 174.9499 5 L 4.2653 8.3416 117.5116 54.6471 41.9953 176.0839 6 S 4.1698 7.9843 115.3066 59.3102 63.7274 174.1226 7 G 4.0173 8.9570 112.3133 44.6767 0.0000 172.6965 8 T 3.8445 7.9833 114.2512 63.9864 69.0199 173.5140 9 W 4.9228 8.6951 125.5768 55.3495 31.8464 174.8083 10 Y 5.1165 9.1560 122.3261 56.7018 39.5334 175.3226 11 V 5.1433 8.8670 117.4295 59.4802 36.0365 174.7409 12 L 5.2273 8.6492 120.8237 54.0149 43.7620 175.6086 13 E 5.0615 9.0227 121.9969 55.6806 33.1743 173.4668 14 G 4.1686 8.8432 111.6639 45.9708 0.0000 175.8141 15 D 4.5539 6.9545 121.8226 52.7982 41.8570 173.8690 16 P 4.1499 0.0000 0.0000 64.6044 31.5253 176.5667 17 G 3.8112 8.9524 111.4958 46.4778 0.0000 172.6152 18 E 4.4874 7.9066 120.3113 54.5657 31.6405 175.1728 19 H 5.2478 8.6411 120.8766 54.0476 29.9451 170.0250 20 L 3.6149 8.2265 127.4605 54.6857 39.6111 172.9901 21 V 4.8005 8.1158 124.8608 60.7900 34.0470 174.9035 22 V 4.3965 9.1214 126.8289 60.1240 34.4098 174.6309 23 E 5.2652 9.2294 124.2096 54.0401 29.1683 174.0941 24 A 4.4670 8.3284 125.9479 51.8473 20.1683 176.0249 25 L 3.7599 8.5282 122.3737 56.1545 38.4468 176.9461 26 G 4.0066 8.3752 108.8596 45.4684 0.0000 174.3077 27 E 4.3391 7.5783 120.0990 55.6149 30.9461 176.1696 28 R 4.5805 9.1786 124.4623 55.8943 31.1907 175.6529 29 L 5.3533 9.1764 123.8951 52.0731 45.9796 175.7036 30 S 4.8397 8.2672 114.6531 56.8298 66.5408 172.2073 31 G 3.6809 8.4334 105.5942 44.4292 0.0000 172.1752 32 I 4.6550 6.9820 120.2005 58.9528 41.8868 174.3020 33 W 5.3543 9.1422 123.7181 55.3250 33.0802 176.3055 34 T 4.5994 9.6914 112.2355 62.3388 68.7716 175.2210 35 S 4.5969 7.7279 116.7927 55.9098 67.5779 174.6430 36 R 3.3153 7.3677 122.1707 59.2266 29.9245 178.2052 37 E 3.8631 7.8584 118.6945 59.2515 29.4937 178.4552 38 L 4.0831 7.6925 120.2369 57.8279 42.1234 178.8607 39 A 2.6355 7.3802 120.2002 54.6472 18.2938 179.5018 40 E 3.8019 8.5262 117.2883 59.3160 29.2656 179.3644 41 A 3.9062 8.1621 120.4032 55.1130 18.5002 179.1583 42 F 4.2034 7.7876 119.1640 61.2443 39.4118 177.1691 43 L 3.8283 7.9190 119.8372 58.0106 41.6640 178.5647 44 A 3.9707 8.3268 120.1153 55.5308 18.3519 178.6589 45 H 4.4322 7.5093 111.6416 56.4090 30.1866 175.7888 46 H 4.6063 7.9229 118.1983 53.1967 28.6913 171.1326 47 P 4.4319 0.0000 0.0000 62.2009 33.0624 176.3610 48 H 4.3512 8.5783 112.6641 56.7792 25.6861 175.7520 49 L 4.5179 7.3990 117.7255 53.5702 42.6270 175.8673 50 G 3.6749 7.7674 109.3928 45.5216 0.0000 172.9277 *52 R 4.1562 7.5011 119.8991 56.2529 31.8477 175.0547 53 V 4.6404 8.2702 120.1745 62.3776 32.4265 175.2288 54 S 5.0202 9.4313 123.8244 56.6826 66.3898 172.7070 55 A 4.9305 8.6340 124.3171 50.2478 21.1881 176.2656 56 L 4.3578 8.7687 122.5348 53.4193 43.1223 177.0641 57 E 3.9029 8.7016 124.2908 58.0341 30.5458 178.0757 58 S 4.4540 7.4435 113.0317 57.4215 65.8449 175.2440 59 R 3.7212 8.2022 120.5693 58.9866 29.7972 178.9658 60 A 3.9877 7.8745 120.2438 55.1087 18.2590 179.5921 61 L 3.8729 7.7599 117.0994 58.0096 41.7263 179.7308 62 K 3.9268 7.5562 118.0570 59.3916 31.7512 178.9754 63 E 3.9212 8.5904 119.6052 59.2521 29.6199 178.6080 64 A 3.9970 7.9513 120.7707 55.3424 18.4399 178.8009 65 Y 4.0386 8.3560 118.1467 61.1220 38.9015 178.5306 66 L 3.8396 8.4957 120.0644 57.8225 41.4621 179.8130 67 R 3.9333 8.2112 117.4444 58.8089 29.9943 178.6680 68 A 4.1129 7.5978 120.2213 54.9910 18.6452 179.2754 69 L 4.1188 7.6353 117.6585 57.7006 41.6887 181.3312 70 G 3.9238 7.9060 104.0838 44.9483 0.0000 174.4867 *72 L 4.0821 7.6948 117.9037 53.2603 43.3145 176.7836 73 Q 3.3535 7.8100 115.9613 57.0107 26.4222 174.4751 74 V 4.1012 7.8030 118.5166 61.3849 31.9248 174.8828 75 E 4.3501 8.2666 126.5350 58.1376 30.9099 176.1060 76 A 4.9491 7.7240 120.5322 50.5426 22.9174 175.1305 77 V 4.8493 8.8420 114.2056 59.7345 35.8188 175.4107 *79 V 3.6146 8.3668 124.9210 65.1180 32.7185 175.6274 80 D 4.3023 8.2089 125.7247 55.5424 38.4695 172.9428 81 Y 4.2450 7.1122 118.8041 57.1264 40.0358 174.7759 82 R 4.3401 7.9772 126.4080 55.4293 32.1780 172.4947 83 P 3.3778 0.0000 0.0000 65.8308 32.2486 176.8720 84 G 3.7751 7.5738 118.0511 45.0972 0.0000 171.9171 85 T 4.3607 7.4316 119.9749 61.3636 70.5261 173.6445 86 H 4.4909 8.3226 118.0927 55.8512 28.3629 173.2997 87 R 3.8224 7.7126 123.5723 55.8884 29.1200 175.3089 88 A 3.9207 8.3207 126.9965 52.3298 18.9366 176.2382 89 Q 4.2962 8.4296 122.6910 55.5472 29.9708 175.1368 90 V 4.5161 8.3134 125.6807 61.4898 33.5744 174.6478 91 A 4.6913 8.9620 127.6544 49.8645 22.6985 175.5668 92 R 4.3194 8.5046 122.3877 55.8715 31.3403 177.3012 93 V 3.5435 9.0019 125.6696 66.2835 31.6858 178.3699 94 K 3.9850 8.1196 117.5926 59.6628 31.8017 178.9425 95 D 4.3297 7.9476 118.4522 57.4903 41.0124 178.6512 96 L 4.1399 8.0333 119.4288 57.6139 41.3227 179.3820 97 L 4.0436 8.3688 120.1603 58.1121 41.7929 178.3597 98 E 4.1085 8.0762 118.8916 59.1167 29.3466 178.6221 99 E 4.0387 8.1291 118.2291 59.1705 29.7279 179.0141 100 V 3.8919 7.7515 116.0051 62.5800 31.9932 176.6350 101 R 4.2694 7.3949 123.8654 56.6602 30.1140 175.1879 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 4.63 0.00 2.85 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 5 L 8.34 4.27 0.00 1.92 2.13 0.77 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.98 4.17 0.00 3.79 4.10 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 7 G 8.96 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.98 3.84 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 9 W 8.70 4.92 0.00 3.00 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 10 Y 9.16 5.12 0.00 3.23 3.02 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 0.00 0.00 0.00 11 V 8.87 5.14 1.96 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 0.23 0.00 0.00 0.79 0.00 0.00 12 L 8.65 5.23 0.00 1.94 1.76 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.02 5.06 0.00 2.07 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 2.27 2.33 0.00 14 G 8.84 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 0.00 0.00 0.00 0.00 15 D 6.95 4.55 0.00 2.72 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 16 P 0.00 4.15 0.00 2.05 2.05 0.00 3.76 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 2.05 2.13 0.00 17 G 8.95 3.81 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 0.00 0.00 0.00 18 E 7.91 4.49 0.00 1.88 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 2.20 2.25 0.00 19 H 8.64 5.25 0.00 3.27 3.59 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.23 3.61 0.00 1.91 1.94 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.12 4.80 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 0.88 0.00 0.00 0.93 0.00 0.00 22 V 9.12 4.40 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 0.70 0.00 0.00 0.92 0.00 0.00 23 E 9.23 5.27 0.00 1.86 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 2.23 2.13 0.00 24 A 8.33 4.47 1.20 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 0.00 0.00 0.00 25 L 8.53 3.76 0.00 1.87 1.92 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.38 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.58 4.34 0.00 1.83 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 2.28 2.41 0.00 28 R 9.18 4.58 0.00 2.00 1.83 0.00 3.04 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 29 L 9.18 5.35 0.00 1.56 1.39 0.84 0.70 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 30 S 8.27 4.84 0.00 3.81 3.63 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 31 G 8.43 3.68 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 0.00 0.00 0.00 32 I 6.98 4.66 1.34 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.43 0.00 0.00 33 W 9.14 5.35 0.00 3.58 3.01 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 0.00 0.00 0.00 0.00 34 T 9.69 4.60 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 1.42 0.00 0.00 35 S 7.73 4.60 0.00 3.90 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 36 R 7.37 3.32 0.00 1.27 1.61 0.00 3.10 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 37 E 7.86 3.86 0.00 1.99 1.86 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 2.33 2.32 0.00 38 L 7.69 4.08 0.00 1.74 1.76 1.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.38 2.64 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 40 E 8.53 3.80 0.00 2.03 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 2.32 2.39 0.00 41 A 8.16 3.91 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 42 F 7.79 4.20 0.00 2.90 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 43 L 7.92 3.83 0.00 1.83 1.74 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.33 3.97 1.26 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 0.00 0.00 0.00 45 H 7.51 4.43 0.00 3.06 3.13 0.00 5.80 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.92 4.61 0.00 2.77 3.11 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.43 0.00 1.61 1.77 0.00 3.58 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 1.93 2.10 0.00 48 H 8.58 4.35 0.00 3.34 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.40 4.52 0.00 1.58 1.72 0.99 0.88 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 50 G 7.77 3.67 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 0.00 0.00 0.00 *52 R 7.50 4.16 0.00 1.95 2.13 0.00 2.98 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 53 V 8.27 4.64 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 0.90 0.00 0.00 0.90 0.00 0.00 54 S 9.43 5.02 0.00 3.80 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 55 A 8.63 4.93 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 56 L 8.77 4.36 0.00 1.34 1.43 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.70 3.90 0.00 1.85 1.91 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 2.22 2.26 0.00 58 S 7.44 4.45 0.00 3.96 3.92 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 59 R 8.20 3.72 0.00 1.79 1.91 0.00 3.08 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 60 A 7.87 3.99 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 61 L 7.76 3.87 0.00 1.76 1.68 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.56 3.93 0.00 1.45 1.12 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.60 1.16 7.81 63 E 8.59 3.92 0.00 2.07 2.10 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 2.32 2.34 0.00 64 A 7.95 4.00 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 65 Y 8.36 4.04 0.00 3.09 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 66 L 8.50 3.84 0.00 1.96 1.75 1.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.21 3.93 0.00 1.93 1.99 0.00 3.16 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 68 A 7.60 4.11 1.38 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 69 L 7.64 4.12 0.00 1.68 1.56 0.60 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.91 3.92 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 0.00 0.00 0.00 *72 L 7.69 4.08 0.00 1.76 1.73 0.94 0.97 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 73 Q 7.81 3.35 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 74 V 7.80 4.10 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 0.78 0.00 0.00 0.89 0.00 0.00 75 E 8.27 4.35 0.00 1.93 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 0.00 2.34 2.56 0.00 76 A 7.72 4.95 1.17 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 0.00 0.00 0.00 77 V 8.84 4.85 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 0.88 0.00 0.00 0.78 0.00 0.00 *79 V 8.37 3.61 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.66 0.00 0.00 80 D 8.21 4.30 0.00 2.72 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 81 Y 7.11 4.24 0.00 2.68 2.85 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 82 R 7.98 4.34 0.00 1.80 1.69 0.00 3.33 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 83 P 0.00 3.38 0.00 2.02 1.88 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 84 G 7.57 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.43 4.36 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 1.21 0.00 0.00 86 H 8.32 4.49 0.00 3.19 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.71 3.82 0.00 1.90 2.18 0.00 3.32 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 88 A 8.32 3.92 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 89 Q 8.43 4.30 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 90 V 8.31 4.52 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 0.76 0.00 0.00 0.87 0.00 0.00 91 A 8.96 4.69 1.05 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 92 R 8.50 4.32 0.00 1.82 1.96 0.00 3.16 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 93 V 9.00 3.54 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 0.92 0.00 0.00 0.89 0.00 0.00 94 K 8.12 3.98 0.00 1.82 1.86 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.53 7.81 95 D 7.95 4.33 0.00 2.86 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 96 L 8.03 4.14 0.00 1.89 1.93 0.67 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.37 4.04 0.00 1.82 1.91 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.08 4.11 0.00 2.11 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 2.31 2.35 0.00 99 E 8.13 4.04 0.00 2.20 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 0.00 2.38 2.67 0.00 100 V 7.75 3.89 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 0.85 0.00 0.00 0.78 0.00 0.00 101 R 7.39 4.27 0.00 2.19 1.84 0.00 3.30 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.