NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6675 0.0000 0.0000 62.2971 33.0173 175.3300 2 L 4.5896 8.7179 121.8590 50.8193 43.5587 174.8643 3 P 4.6089 0.0000 0.0000 61.4990 32.7800 175.1497 4 W 4.2616 7.3811 126.4333 57.6271 33.1519 172.7145 5 C 4.0763 6.2785 116.6605 55.4731 31.9050 172.9717 6 P 3.7957 0.0000 0.0000 64.4227 31.1199 176.4816 7 H 4.6749 7.2564 115.6768 55.9088 29.6331 176.5590 8 L 3.9250 7.2693 121.2443 57.5499 41.0323 179.3277 9 V 3.6673 7.8749 117.8618 64.9204 31.0092 177.6330 10 A 4.2483 7.8851 119.4566 52.6222 18.5424 177.5978 11 V 3.8594 7.3319 118.6610 63.3679 31.8650 175.5535 12 C 4.8923 8.8817 125.9388 57.2917 30.5225 171.9373 13 P 4.4429 0.0000 0.0000 62.6636 31.6213 176.7967 14 I 3.0760 8.2873 123.9328 60.5008 37.7653 174.4244 15 P 4.0994 0.0000 0.0000 62.6102 31.7418 177.2638 16 A 3.9068 8.6157 124.5973 55.2672 18.4070 178.8712 17 A 3.9735 7.8219 117.1183 53.3222 18.8699 178.3363 18 G 3.7795 8.0467 103.9537 44.4291 0.0000 172.5932 19 L 4.7677 8.1374 117.2020 52.8946 44.6977 176.0228 20 D 4.7678 8.1947 119.6453 52.3404 41.8352 176.7154 21 V 2.0000 8.5730 120.6796 62.6624 31.5820 177.5242 22 T 4.3382 7.5910 109.0341 60.9263 68.9908 174.6844 23 Q 4.0181 7.8170 124.2783 55.8661 29.4408 174.5849 24 P 4.6498 0.0000 0.0000 62.0484 32.3705 175.7049 25 C 4.2987 8.8212 121.2928 59.6282 31.7714 175.2622 26 G 3.7215 8.6087 116.3719 47.8537 0.0000 173.8557 27 D 4.7134 8.4603 118.4773 55.6025 41.9789 176.9683 28 C 4.5400 7.9890 111.0779 57.1334 30.9316 175.1380 29 G 4.0131 8.3290 108.6580 45.9878 0.0000 174.0438 30 T 4.2076 7.3341 110.1376 61.6107 69.4421 175.0533 31 I 4.5669 8.0478 121.4886 61.4076 38.0060 177.1921 32 Q 4.1904 8.1182 120.1235 58.6233 29.0328 177.2418 33 E 4.7607 7.7213 118.5087 54.9610 31.0785 173.5586 34 N 5.4728 8.3586 120.3428 51.8269 41.6633 173.8262 35 W 5.0416 9.4318 120.6553 54.7654 33.6888 174.6708 36 V 4.7291 8.3073 121.7945 59.8808 33.7545 174.3365 37 C 4.6141 8.7725 125.2509 59.2388 32.4080 173.6805 38 L 3.5735 8.8761 125.2789 55.8805 41.7809 178.7017 39 S 4.2728 7.9204 115.0711 60.1363 63.4448 174.8777 40 C 4.6080 7.6992 112.4391 57.4185 30.7772 174.1724 41 Y 4.1080 7.7433 116.7289 58.9656 35.6465 169.6670 42 Q 4.2285 7.4372 118.6748 55.7861 30.4186 175.1266 43 V 4.7211 7.7208 120.9163 61.4553 34.2907 173.9610 44 Y 5.3909 8.7163 124.2078 56.3923 42.9763 174.4294 45 C 5.3522 8.4600 116.1244 57.6296 31.8107 173.2978 46 G 4.4751 9.2260 108.7702 45.6355 0.0000 174.6353 47 R 4.0869 8.4420 115.0845 57.7389 29.7374 176.8126 48 Y 4.4345 7.9111 114.9100 58.2008 40.0849 175.6130 49 I 4.0335 8.1016 120.2039 61.7144 35.7769 175.7597 50 N 4.7532 9.2104 125.3936 52.8737 40.4761 175.0888 51 G 3.7462 8.2764 106.5815 47.1912 0.0000 176.1244 52 H 4.2487 7.5046 116.6287 58.2834 28.5549 177.2108 53 M 4.0898 8.3282 120.5577 58.3703 32.0143 177.9024 54 L 3.4799 7.7555 120.0923 57.9976 42.2742 178.4578 55 Q 3.7598 7.9230 119.3917 59.4253 28.8785 177.8396 56 H 3.8767 8.0193 119.3447 59.3759 29.8433 176.4714 57 H 3.8504 8.2581 120.4937 59.2608 29.2900 177.3392 58 G 3.4785 7.6220 106.0157 47.8297 0.0000 174.9832 59 N 4.4562 7.8445 117.9598 54.9370 38.7383 176.7563 60 S 4.4376 7.9107 114.1623 57.3369 64.4915 175.6211 61 G 3.8890 8.1775 108.9733 43.2469 0.0000 173.3164 62 H 4.3933 7.9077 118.0308 55.6580 29.2503 173.5326 63 P 4.4246 0.0000 0.0000 64.1515 33.2682 175.6801 64 L 5.2416 7.8901 119.7540 52.7414 44.5816 176.2303 65 V 4.9753 8.7258 115.7186 59.5249 36.5205 174.0265 66 L 5.2645 9.0804 125.6698 53.2769 44.8847 175.3339 67 S 3.1160 8.5465 121.8506 57.9389 62.8628 174.0688 68 Y 4.6777 8.2574 124.3326 59.7928 37.7848 177.1461 69 I 3.9158 7.5871 120.8865 63.5779 37.4841 176.6086 70 D 4.7287 7.2958 114.4198 52.0183 40.0086 175.1660 71 L 3.7584 7.7048 117.2541 56.2167 39.8559 174.4787 72 S 4.6728 7.7989 113.7756 58.0004 64.5676 173.0798 73 A 5.4552 8.8731 125.0456 50.1301 21.5017 174.9894 74 W 4.8603 9.4720 133.3191 55.6068 33.5769 173.9611 75 C 4.6814 7.7008 127.7072 57.7432 31.9614 174.0129 76 Y 4.0545 8.4111 125.5551 61.3075 37.9654 177.6077 77 Y 4.3620 7.4633 117.0348 61.1961 38.2015 177.4546 78 C 4.1787 7.8526 114.9805 60.4544 28.8751 173.2155 79 Q 2.9252 7.3025 117.6827 55.7123 26.3256 172.7711 80 A 3.9933 5.8000 116.0973 50.5475 23.3098 176.6178 81 Y 4.7462 8.4588 117.5026 57.9880 39.4253 174.9452 82 V 5.0291 8.8659 123.7337 61.2440 34.2959 174.3300 83 H 5.1247 9.0192 123.0897 54.2473 31.4236 171.8906 84 H 4.8831 8.5843 119.2411 54.1721 32.8307 174.4724 85 Q 4.0478 8.6684 122.4178 58.5079 28.3166 178.7742 86 A 4.2118 8.4186 120.7371 54.2356 18.7429 178.2539 87 L 4.5101 8.0926 116.4065 54.6074 42.1498 178.0953 88 L 3.9592 7.7181 122.1515 58.3701 41.9567 178.5946 89 D 4.3808 8.0977 118.3101 57.4057 40.8636 178.9895 90 V 3.7191 7.8301 119.1459 64.9223 31.3400 178.3674 91 K 4.0553 8.1792 119.2292 59.1346 31.7861 179.1375 92 N 4.3740 8.4226 116.8803 56.3695 38.4957 177.5212 93 I 3.7001 8.1935 121.3334 64.2216 37.1652 178.3340 94 A 3.9475 8.2569 121.6632 55.4586 18.2970 179.0227 95 H 4.0018 8.4995 117.0492 59.5942 29.6816 177.2155 96 Q 3.9140 8.2103 120.4320 59.1668 28.9502 177.3779 97 N 4.3801 7.8827 117.2866 56.3536 39.0208 176.5610 98 K 3.9920 7.9075 120.5392 58.4579 32.3896 176.5748 *99 F 4.2735 7.8347 121.4218 57.3571 38.8702 175.0362 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 P 0.00 4.67 0.00 2.19 2.20 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.23 0.00 2 L 8.72 4.59 0.00 1.63 1.73 0.81 0.70 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 3 P 0.00 4.61 0.00 2.25 2.21 0.00 3.50 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 4 W 7.38 4.26 0.00 3.23 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 5 C 6.28 4.08 0.00 2.76 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 6 P 0.00 3.80 0.00 1.92 2.12 0.00 3.32 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 7 H 7.26 4.67 0.00 3.19 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.27 3.92 0.00 1.41 1.63 0.56 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.87 3.67 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 0.82 0.00 0.00 0.96 0.00 0.00 10 A 7.89 4.25 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 11 V 7.33 3.86 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 0.86 0.00 0.00 0.95 0.00 0.00 12 C 8.88 4.89 0.00 3.23 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 13 P 0.00 4.44 0.00 1.92 2.00 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 14 I 8.29 3.08 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.38 0.78 0.00 0.00 15 P 0.00 4.10 0.00 2.03 1.87 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 16 A 8.62 3.91 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 17 A 7.82 3.97 1.27 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 18 G 8.05 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 19 L 8.14 4.77 0.00 1.63 1.66 1.13 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.19 4.77 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.57 2.00 1.52 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 0.31 0.00 0.00 0.73 0.00 0.00 22 T 7.59 4.34 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 1.14 0.00 0.00 23 Q 7.82 4.02 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 24 P 0.00 4.65 0.00 2.10 2.17 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 25 C 8.82 4.30 0.00 3.26 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 26 G 8.61 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 27 D 8.46 4.71 0.00 2.28 2.45 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 28 C 7.99 4.54 0.00 3.15 3.27 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 29 G 8.33 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 30 T 7.33 4.21 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 31 I 8.05 4.57 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.93 0.00 0.00 32 Q 8.12 4.19 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 7.22 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 33 E 7.72 4.76 0.00 2.01 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 0.00 2.32 2.38 0.00 34 N 8.36 5.47 0.00 2.81 2.83 0.00 0.00 6.76 7.68 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 35 W 9.43 5.04 0.00 3.18 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 36 V 8.31 4.73 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 0.76 0.00 0.00 1.08 0.00 0.00 37 C 8.77 4.61 0.00 3.14 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 38 L 8.88 3.57 0.00 1.66 1.60 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.92 4.27 0.00 3.51 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 40 C 7.70 4.61 0.00 3.20 3.26 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 41 Y 7.74 4.11 0.00 3.24 3.20 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 42 Q 7.44 4.23 0.00 1.82 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 43 V 7.72 4.72 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 1.21 0.00 0.00 1.10 0.00 0.00 44 Y 8.72 5.39 0.00 3.00 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 45 C 8.46 5.35 0.00 3.14 3.31 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 0.00 46 G 9.23 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.09 0.00 1.61 1.81 0.00 2.53 0.00 0.00 2.79 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.00 48 Y 7.91 4.43 0.00 3.03 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 49 I 8.10 4.03 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.98 0.00 0.00 50 N 9.21 4.75 0.00 2.65 2.62 0.00 0.00 6.72 7.95 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 51 G 8.28 3.75 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 0.00 0.00 0.00 52 H 7.50 4.25 0.00 3.35 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 M 8.33 4.09 0.00 2.12 2.38 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.72 0.00 54 L 7.76 3.48 0.00 1.67 1.69 0.67 0.64 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 55 Q 7.92 3.76 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 56 H 8.02 3.88 0.00 2.65 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.26 3.85 0.00 2.19 2.66 0.00 5.84 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 58 G 7.62 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.46 0.00 2.68 2.78 0.00 0.00 6.93 6.99 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 60 S 7.91 4.44 0.00 3.44 3.60 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 61 G 8.18 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 0.00 0.00 0.00 62 H 7.91 4.39 0.00 3.15 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.89 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 4.42 0.00 2.14 2.56 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 64 L 7.89 5.24 0.00 1.58 1.57 0.87 0.88 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 65 V 8.73 4.98 2.30 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 0.95 0.00 0.00 0.60 0.00 0.00 66 L 9.08 5.26 0.00 1.76 1.48 1.00 1.01 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 67 S 8.55 3.12 0.00 2.72 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 68 Y 8.26 4.68 0.00 2.94 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 69 I 7.59 3.92 1.71 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 1.25 0.71 0.85 0.00 0.00 70 D 7.30 4.73 0.00 2.64 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 71 L 7.70 3.76 0.00 1.84 1.81 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.80 4.67 0.00 3.90 3.83 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 73 A 8.87 5.46 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 W 9.47 4.86 0.00 3.14 2.45 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 75 C 7.70 4.68 0.00 2.76 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.41 4.05 0.00 2.26 2.29 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 77 Y 7.46 4.36 0.00 2.72 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 78 C 7.85 4.18 0.00 2.69 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 79 Q 7.30 2.93 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 80 A 5.80 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.46 4.75 0.00 3.09 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 82 V 8.87 5.03 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 0.72 0.00 0.00 0.76 0.00 0.00 83 H 9.02 5.12 0.00 3.21 3.41 0.00 5.35 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.58 4.88 0.00 3.30 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.67 4.05 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 86 A 8.42 4.21 1.42 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 0.00 0.00 87 L 8.09 4.51 0.00 1.86 1.77 0.99 0.58 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 88 L 7.72 3.96 0.00 1.83 1.80 0.94 1.27 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 89 D 8.10 4.38 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.83 3.72 2.24 0.00 0.00 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 1.17 0.00 0.00 91 K 8.18 4.06 0.00 1.89 1.94 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.68 7.81 92 N 8.42 4.37 0.00 2.96 2.89 0.00 0.00 7.02 6.77 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 93 I 8.19 3.70 2.03 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 1.77 1.09 0.92 0.00 0.00 94 A 8.26 3.95 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 4.00 0.00 3.31 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.21 3.91 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 97 N 7.88 4.38 0.00 2.72 2.85 0.00 0.00 7.20 6.70 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 98 K 7.91 3.99 0.00 1.79 1.83 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.38 7.81 *99 F 7.83 4.27 0.00 2.35 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.