NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6870 8.3644 120.3211 52.4185 42.0208 175.5073 5 V 4.1228 7.8125 114.3631 62.4968 35.3422 176.3078 6 L 4.1556 9.0328 120.7935 57.6202 42.3607 178.8749 7 K 3.9817 7.9196 117.2009 59.6012 31.9508 179.1072 8 N 4.3835 8.1373 116.1136 56.3718 38.4804 177.3671 9 I 3.7815 7.7601 120.4850 64.2460 37.1387 178.2034 10 A 4.0201 8.6242 121.8433 55.5226 18.2149 179.3402 11 D 4.3428 8.5211 117.6425 57.9759 40.8734 179.3691 12 T 3.9413 8.1569 116.2617 66.4178 68.1971 176.8033 13 L 4.1188 8.0139 120.2721 58.1114 42.1713 179.1133 14 E 4.0261 8.6054 118.5489 59.1420 29.0820 179.2487 15 A 4.0437 8.0343 120.4584 54.9801 18.5529 179.1642 16 R 4.4500 7.5494 111.5893 56.3908 30.0305 177.8069 17 R 3.5075 7.4013 120.4404 59.1747 30.9581 177.1833 18 E 4.6182 7.8999 113.9885 55.3083 29.9812 174.3365 19 A 4.6022 7.4326 121.7713 50.5104 22.1923 176.6336 20 A 4.2118 8.2860 118.6907 51.5248 19.0523 177.3273 21 P 4.2281 0.0000 0.0000 65.4034 31.4888 177.5015 22 Q 4.3427 7.8523 114.2934 56.2666 29.5429 176.4882 23 S 4.2231 7.9329 113.3848 60.8740 62.6279 173.6295 24 S 4.6301 7.4998 111.2976 56.2296 65.6646 173.6970 25 Y 4.1404 8.7887 120.9871 60.9152 38.5295 177.4613 26 V 3.1522 7.9730 118.4597 65.8521 31.4914 177.6940 27 A 4.1752 7.9437 120.2636 55.1419 18.3303 179.5520 28 S 4.1860 7.8878 112.5913 61.4809 62.9266 176.6701 29 L 3.7642 7.6205 122.4319 57.6582 41.1510 179.2776 30 F 4.5249 7.4607 116.2006 61.2730 38.9528 177.0836 31 H 4.4499 8.2396 116.7889 59.1578 29.7429 177.1927 32 K 4.1206 7.9807 119.8314 59.2974 32.2243 175.7829 33 G 3.7623 8.2085 103.6632 43.6129 0.0000 174.0742 34 E 3.1076 8.8450 118.5418 59.2560 29.2427 178.1471 35 D 4.2990 8.0618 117.8695 57.6604 40.8992 178.6929 36 A 3.9480 7.9646 120.2726 55.3293 18.2237 179.6594 37 I 3.7185 7.2875 118.1863 64.4483 37.1792 178.6174 38 L 4.0114 8.1045 120.0994 57.4352 41.2607 179.6774 39 K 3.8977 8.3050 118.9911 59.4195 31.9647 179.2014 40 K 3.8677 7.6064 118.3433 59.3743 32.1311 178.9110 41 V 3.5747 7.7405 118.3317 66.0153 31.4825 177.8867 42 A 3.9874 8.1914 120.5870 54.9679 18.1587 179.0196 43 E 3.8593 8.4388 118.1085 59.7953 29.7971 179.1015 44 E 3.9683 8.5087 118.3234 59.1521 29.4313 179.3688 45 A 4.0217 7.9575 120.8107 55.1035 18.2436 179.5796 46 A 3.9780 7.9181 118.3078 55.2235 18.5233 179.2222 47 E 4.0352 8.2434 117.1695 59.5400 29.9747 178.8318 48 T 4.0532 7.9359 116.0506 66.3882 68.4528 176.7059 49 L 3.9961 7.5125 116.1085 55.7188 41.0972 178.6344 *51 A 4.2939 7.8824 124.2086 52.3562 20.7780 179.7404 52 S 4.0885 8.1693 110.3176 61.3208 62.6776 176.3219 53 K 3.9589 8.0709 120.3154 59.5443 31.9283 177.1201 54 D 4.5424 8.0886 115.0738 53.9627 40.8622 176.1436 55 K 3.8658 7.7570 116.8117 57.3346 30.7055 176.8561 56 D 4.6499 7.5289 120.1951 52.8907 37.6304 176.2395 57 K 3.8389 8.1556 123.3409 59.2476 32.3042 178.2818 58 L 4.0365 7.9095 118.7142 57.8235 41.6422 178.6397 59 H 4.2535 8.3842 117.8586 58.7556 29.7420 176.9428 60 L 3.8452 8.0564 122.4599 58.3517 41.9567 179.2552 61 V 3.5529 7.4015 117.4298 65.9808 31.3877 178.2093 62 R 3.8680 7.7209 117.9373 59.1015 29.8827 178.9582 63 E 3.8873 8.3441 118.6965 59.4031 29.4764 179.3205 64 V 3.6278 8.1234 118.4491 65.9850 31.3298 177.9953 65 A 3.7162 7.7824 120.4542 55.0810 18.2050 179.1450 66 D 4.4168 8.0789 116.6357 57.1814 41.1618 178.2206 67 L 4.0693 8.5560 121.3842 58.0784 42.0175 178.7495 68 W 4.3898 8.5278 117.9879 59.8916 29.1365 177.9776 69 F 4.3850 8.6516 119.6763 61.9417 39.1814 176.8465 70 H 4.1816 8.7187 115.4694 58.5504 28.2640 177.9783 71 T 4.2279 7.8872 115.5355 64.2746 67.9709 176.1706 *73 V 3.8160 7.7416 123.2289 62.8495 33.4880 177.3065 74 L 3.9504 8.0642 121.0460 58.1915 41.8577 178.7313 75 L 4.0547 8.1480 119.1531 58.4567 41.6987 179.7830 76 T 4.0414 8.0108 114.8986 66.8782 68.2035 175.8953 77 Y 4.0817 8.1659 120.5854 60.0987 38.7711 176.5888 78 H 4.8706 7.8005 115.2865 54.7679 29.4057 175.0385 79 G 3.8823 7.6650 107.1939 46.5313 0.0000 173.7885 80 L 4.8896 7.7909 120.5413 53.0606 44.7963 175.5737 81 R 4.5850 8.9877 113.1775 54.2341 32.4503 174.4412 82 P 4.1033 0.0000 0.0000 65.9647 31.1516 178.2429 83 E 3.9882 8.2646 115.3482 59.7161 29.3516 178.8102 84 D 4.4961 8.0760 118.0511 57.4752 41.2140 178.8245 85 V 3.7213 7.5442 118.0797 65.7775 31.4901 178.4013 86 V 3.7026 7.8737 114.4214 63.9887 30.5939 176.8592 *88 E 4.1985 8.1392 120.0710 55.7541 31.3422 177.8647 89 L 4.0632 7.9769 118.8656 57.8809 42.0211 178.8521 90 H 4.3079 8.4836 117.8883 59.1421 29.9442 176.2663 91 R 3.9349 8.0512 117.9630 59.1974 30.0965 176.8376 92 R 3.8520 7.2814 115.3087 57.9955 29.6468 176.6364 93 E 3.9694 6.4939 124.0392 58.6327 30.2400 177.6315 94 G 4.0463 8.8045 112.3361 45.6656 0.0000 172.4674 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 4.69 0.00 2.83 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 5 V 7.81 4.12 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 1.05 0.00 0.00 0.97 0.00 0.00 6 L 9.03 4.16 0.00 1.79 1.77 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.92 3.98 0.00 1.94 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.77 7.81 8 N 8.14 4.38 0.00 2.91 2.90 0.00 0.00 7.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.76 3.78 2.15 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 1.58 1.05 1.18 0.00 0.00 10 A 8.62 4.02 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 D 8.52 4.34 0.00 2.86 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 12 T 8.16 3.94 4.49 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 1.29 0.00 0.00 13 L 8.01 4.12 0.00 1.88 1.94 0.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.61 4.03 0.00 2.12 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 2.31 2.56 0.00 15 A 8.03 4.04 1.43 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 0.00 0.00 16 R 7.55 4.45 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 17 R 7.40 3.51 0.00 1.59 1.95 0.00 2.21 0.00 0.00 2.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 18 E 7.90 4.62 0.00 1.89 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 2.12 2.11 0.00 19 A 7.43 4.60 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 20 A 8.29 4.21 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 21 P 0.00 4.23 0.00 1.98 2.00 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 22 Q 7.85 4.34 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 23 S 7.93 4.22 0.00 3.81 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 24 S 7.50 4.63 0.00 3.90 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 25 Y 8.79 4.14 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 26 V 7.97 3.15 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 0.78 0.00 0.00 1.19 0.00 0.00 27 A 7.94 4.18 1.46 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 0.00 0.00 0.00 28 S 7.89 4.19 0.00 4.13 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 29 L 7.62 3.76 0.00 1.37 1.30 0.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.46 4.52 0.00 3.26 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 31 H 8.24 4.45 0.00 3.22 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.98 4.12 0.00 1.90 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 33 G 8.21 3.76 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 0.00 0.00 0.00 34 E 8.85 3.11 0.00 1.87 1.88 0.00 0.00 0.00 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 2.26 0.00 35 D 8.06 4.30 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.95 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 37 I 7.29 3.72 1.78 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 1.26 0.45 0.79 0.00 0.00 38 L 8.10 4.01 0.00 1.77 1.69 0.90 1.26 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 39 K 8.31 3.90 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.58 7.81 40 K 7.61 3.87 0.00 1.87 1.76 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.10 1.21 7.81 41 V 7.74 3.57 2.22 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 0.98 0.00 0.00 0.97 0.00 0.00 42 A 8.19 3.99 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 43 E 8.44 3.86 0.00 2.14 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 2.31 2.36 0.00 44 E 8.51 3.97 0.00 2.06 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 2.59 2.55 0.00 45 A 7.96 4.02 1.44 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 0.00 0.00 46 A 7.92 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 47 E 8.24 4.04 0.00 2.10 2.06 0.00 0.00 0.00 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 2.39 0.00 48 T 7.94 4.05 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 1.22 0.00 0.00 49 L 7.51 4.00 0.00 1.90 1.68 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *51 A 7.88 4.29 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 52 S 8.17 4.09 0.00 3.93 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 53 K 8.07 3.96 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.09 4.54 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 3.87 0.00 1.90 1.86 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.53 4.65 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.84 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.74 7.81 58 L 7.91 4.04 0.00 1.72 1.70 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.38 4.25 0.00 3.45 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.06 3.85 0.00 1.77 1.80 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.40 3.55 2.01 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 0.86 0.00 0.00 0.93 0.00 0.00 62 R 7.72 3.87 0.00 1.94 1.92 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 63 E 8.34 3.89 0.00 1.98 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 2.19 2.22 0.00 64 V 8.12 3.63 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 0.64 0.00 0.00 0.93 0.00 0.00 65 A 7.78 3.72 1.29 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 66 D 8.08 4.42 0.00 3.03 2.95 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 67 L 8.56 4.07 0.00 1.93 1.96 1.02 1.17 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 68 W 8.53 4.39 0.00 3.44 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 4.39 0.00 3.11 3.36 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 0.00 70 H 8.72 4.18 0.00 3.37 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.89 4.23 4.60 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 1.19 0.00 0.00 *73 V 7.74 3.82 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 0.36 0.00 0.00 0.22 0.00 0.00 74 L 8.06 3.95 0.00 1.88 1.91 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.15 4.05 0.00 1.73 1.73 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.01 4.04 4.68 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 1.19 0.00 0.00 77 Y 8.17 4.08 0.00 3.32 3.24 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 0.00 0.00 0.00 0.00 78 H 7.80 4.87 0.00 3.32 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.66 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.89 0.00 1.71 1.75 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.99 4.58 0.00 1.95 1.97 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 82 P 0.00 4.10 0.00 2.19 2.14 0.00 3.63 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 2.14 2.23 0.00 83 E 8.26 3.99 0.00 1.91 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 0.00 2.33 2.49 0.00 84 D 8.08 4.50 0.00 2.73 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 85 V 7.54 3.72 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 0.85 0.00 0.00 0.85 0.00 0.00 86 V 7.87 3.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 *88 E 8.14 4.20 0.00 2.16 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 2.24 2.37 0.00 89 L 7.98 4.06 0.00 1.93 1.68 0.79 0.77 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 90 H 8.48 4.31 0.00 3.06 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.05 3.93 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 92 R 7.28 3.85 0.00 2.04 1.75 0.00 3.20 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 93 E 6.49 3.97 0.00 2.00 1.94 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 2.36 2.31 0.00 94 G 8.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.