NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.3540 8.1633 120.6072 55.2474 34.4032 174.7665 18 Y 5.1238 8.0254 113.8906 55.7426 41.2747 169.7704 19 V 4.7717 9.3674 114.8409 59.5595 36.7415 174.0085 20 K 5.1521 9.2281 124.2385 54.8761 34.3879 174.8026 21 L 5.3770 9.5183 127.6346 53.2015 44.7335 175.2589 22 I 5.1725 8.9653 125.9047 59.5542 39.5490 176.0870 23 S 5.0486 9.2695 122.6424 57.5119 64.5025 175.4226 24 S 4.1343 9.2017 115.7892 61.5121 62.5365 175.6946 25 D 4.6681 8.1525 117.2497 53.2044 39.4379 176.8158 26 G 3.9428 8.3272 108.1406 45.8714 0.0000 173.5874 27 H 4.0997 8.1315 117.3442 55.4254 29.2071 173.9844 28 E 4.9184 8.3191 123.2067 54.7093 31.3691 175.1743 29 F 4.7863 9.3398 124.5256 55.8397 41.3731 174.8099 30 I 4.9695 8.5776 125.1572 59.9580 38.4340 175.5450 31 V 4.8774 8.8827 119.9295 58.9506 36.4544 175.7207 32 K 3.8599 8.7084 122.1157 56.5535 32.8878 178.0299 33 R 3.8463 9.1569 124.4553 59.5613 29.7059 178.2755 34 E 3.8669 8.0432 117.2972 59.7660 29.8143 178.1768 35 H 4.2264 8.1539 115.1319 58.9506 28.9027 177.3889 36 A 3.1888 7.9286 122.3644 54.9085 17.9209 179.1046 37 L 4.0620 7.3852 114.7836 56.5056 41.6610 178.8283 38 T 4.0224 7.2524 116.3552 65.3531 68.6305 174.2595 39 S 4.4648 7.4804 116.8245 57.3346 62.8998 174.8162 40 G 3.6591 8.5055 115.1444 48.0924 0.0000 175.3578 41 T 3.7892 7.7494 117.5788 66.5833 68.2881 176.6724 42 I 3.7580 7.7344 120.1554 64.2997 37.2635 177.8000 43 K 3.9162 8.1318 119.3087 59.8003 31.9680 178.1681 44 A 4.1283 8.1620 119.9578 55.0761 18.6667 177.5974 45 M 4.4103 8.0608 116.8345 54.8383 35.4178 175.4969 *58 N 4.9125 8.3962 115.5154 52.4953 40.7348 170.1203 59 E 5.2877 8.1862 115.6720 54.4949 33.1387 176.0684 60 V 4.2227 8.8215 121.9944 61.1554 34.9237 173.4842 61 N 4.9899 8.6001 126.6436 52.4026 40.1619 174.4486 62 F 4.7992 9.2312 126.5745 55.8945 38.8964 176.9207 63 R 3.9887 8.7306 123.3363 58.2382 30.2150 177.7743 64 E 4.4950 8.1366 114.6840 55.6916 30.3044 175.3585 65 I 4.3220 7.6273 121.4701 58.3939 39.1826 173.7491 66 P 5.2412 0.0000 0.0000 61.3934 33.7198 177.1724 67 S 4.3431 9.0879 114.0476 61.7093 62.6750 176.1260 68 H 4.2758 8.2774 117.1528 57.4829 28.5134 176.8280 69 V 3.8584 7.1219 120.5731 65.0151 32.0872 177.2223 70 L 3.6508 7.7846 120.3511 57.8162 41.8430 179.0512 71 S 3.3524 7.7336 114.2719 61.2186 62.9186 176.5468 72 K 3.9396 7.7923 123.1568 58.7277 31.9854 178.5931 73 V 3.2952 7.6628 118.7294 66.2278 31.4626 177.8845 74 C 3.9051 7.7600 116.2179 62.9355 27.9315 176.0133 75 M 4.2238 8.0174 120.3161 58.3732 31.4614 178.1254 76 Y 3.8034 8.1400 119.8097 60.5739 38.9593 177.9180 77 F 4.3881 7.9957 118.6653 61.1558 39.0126 177.6775 78 T 3.8534 7.9415 114.5610 66.9470 68.3354 175.8601 79 Y 4.2433 8.1641 121.1530 60.7489 38.6063 178.1929 80 K 3.6063 7.9491 119.6780 59.2978 32.3250 178.7017 81 V 3.5688 7.4092 117.5128 65.9611 31.5164 177.8056 82 R 3.7569 7.8299 117.4131 58.1020 29.9906 176.2318 83 Y 4.7910 7.2909 116.1723 58.1861 38.5484 175.8683 84 T 4.3438 7.5484 113.0188 63.0405 69.3713 174.8769 *89 E 3.9667 8.1172 121.4989 55.7435 30.1934 174.8788 90 I 3.1954 8.1885 128.2054 60.2793 37.4121 174.5930 91 P 4.5188 0.0000 0.0000 62.0530 32.5562 176.1694 92 E 4.1397 8.4394 114.4608 55.6867 30.1203 174.7940 93 F 4.3916 8.4683 124.2324 55.3034 39.6695 173.1384 94 P 4.4602 0.0000 0.0000 62.0187 32.1893 175.8780 95 I 4.3700 7.9395 121.1376 58.9406 40.3326 175.2299 96 A 4.0812 8.4461 128.4449 51.4518 18.9095 176.2817 97 P 4.2831 0.0000 0.0000 65.8904 31.0965 178.7324 98 E 4.0867 8.1924 115.9244 57.9674 29.7126 177.8223 99 I 4.3628 7.6567 111.2642 60.5842 38.4391 177.3143 100 A 3.9526 7.6066 123.9449 55.3703 18.3659 179.6301 101 L 3.9017 7.8012 116.8922 58.0922 41.7565 179.4898 102 E 3.9627 8.0879 118.0188 59.2370 29.4649 178.9887 103 L 3.8419 8.2262 120.7955 57.8565 42.0366 178.7279 104 L 3.8613 8.0680 120.4080 58.4734 41.9816 178.9217 105 M 4.0234 7.9004 117.8648 58.2695 31.8290 178.5960 106 A 3.9619 8.1896 120.7921 55.1569 18.5983 179.4462 107 A 3.8552 8.4179 119.6003 55.3302 18.2704 179.4175 108 N 4.2405 8.4207 115.7062 56.7792 38.8374 176.8689 109 F 4.1534 8.4167 121.4097 61.1491 39.9534 176.4436 110 L 4.0590 8.5426 117.3019 54.1717 42.0955 175.7739 111 D 4.5667 7.8659 118.6954 55.1325 39.8598 173.1514 112 C 4.4296 8.2247 117.8758 58.5842 29.8163 174.0459 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 17 M 8.16 4.35 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 18 Y 8.03 5.12 0.00 2.97 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 19 V 9.37 4.77 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 0.80 0.00 0.00 1.08 0.00 0.00 20 K 9.23 5.15 0.00 1.82 1.70 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 21 L 9.52 5.38 0.00 1.94 2.06 1.29 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.97 5.17 1.92 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 1.33 0.72 0.96 0.00 0.00 23 S 9.27 5.05 0.00 4.20 4.37 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 24 S 9.20 4.13 0.00 4.02 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 0.00 25 D 8.15 4.67 0.00 2.87 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 26 G 8.33 3.94 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 0.00 0.00 0.00 27 H 8.13 4.10 0.00 3.27 2.73 0.00 5.58 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 28 E 8.32 4.92 0.00 1.72 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 2.19 2.35 0.00 29 F 9.34 4.79 0.00 3.18 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 30 I 8.58 4.97 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.82 0.00 0.00 31 V 8.88 4.88 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 0.96 0.00 0.00 1.15 0.00 0.00 32 K 8.71 3.86 0.00 1.39 1.41 0.00 1.14 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.95 1.19 7.81 33 R 9.16 3.85 0.00 1.85 1.85 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 34 E 8.04 3.87 0.00 1.94 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 2.38 0.00 35 H 8.15 4.23 0.00 3.42 3.41 0.00 5.88 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 36 A 7.93 3.19 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 37 L 7.39 4.06 0.00 1.73 1.66 0.88 0.62 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 38 T 7.25 4.02 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 1.44 0.00 0.00 39 S 7.48 4.46 0.00 4.10 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 40 G 8.51 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 0.00 0.00 0.00 41 T 7.75 3.79 4.23 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 0.97 0.00 0.00 42 I 7.73 3.76 2.04 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.69 0.99 0.00 0.00 43 K 8.13 3.92 0.00 1.79 2.03 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 44 A 8.16 4.13 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.06 4.41 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 *58 N 8.40 4.91 0.00 2.46 2.91 0.00 0.00 6.40 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 59 E 8.19 5.29 0.00 1.80 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 0.00 2.22 2.28 0.00 60 V 8.82 4.22 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 0.28 0.00 0.00 0.92 0.00 0.00 61 N 8.60 4.99 0.00 2.70 2.63 0.00 0.00 7.11 7.02 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 62 F 9.23 4.80 0.00 3.14 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 63 R 8.73 3.99 0.00 2.07 2.01 0.00 3.28 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 64 E 8.14 4.50 0.00 1.72 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 0.00 2.12 2.10 0.00 65 I 7.63 4.32 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.75 0.00 0.00 66 P 0.00 5.24 0.00 2.27 2.21 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 67 S 9.09 4.34 0.00 4.26 4.42 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 68 H 8.28 4.28 0.00 3.32 3.47 0.00 5.51 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.12 3.86 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 0.90 0.00 0.00 0.71 0.00 0.00 70 L 7.78 3.65 0.00 1.68 1.38 0.65 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.73 3.35 0.00 4.10 4.18 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 0.00 0.00 0.00 0.00 72 K 7.79 3.94 0.00 1.84 1.91 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.55 1.73 7.81 73 V 7.66 3.30 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 0.26 0.00 0.00 0.72 0.00 0.00 74 C 7.76 3.91 0.00 3.06 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 75 M 8.02 4.22 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 76 Y 8.14 3.80 0.00 2.73 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 77 F 8.00 4.39 0.00 3.36 3.06 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 0.00 0.00 0.00 78 T 7.94 3.85 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 1.30 0.00 0.00 79 Y 8.16 4.24 0.00 3.32 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 80 K 7.95 3.61 0.00 1.09 1.57 0.00 1.83 0.00 0.00 1.55 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.55 7.81 81 V 7.41 3.57 1.75 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 0.70 0.00 0.00 0.82 0.00 0.00 82 R 7.83 3.76 0.00 1.55 1.50 0.00 2.96 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 83 Y 7.29 4.79 0.00 2.70 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 84 T 7.55 4.34 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 1.17 0.00 0.00 *89 E 8.12 3.97 0.00 2.21 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 2.19 1.91 0.00 90 I 8.19 3.20 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.65 0.00 0.00 91 P 0.00 4.52 0.00 2.19 2.00 0.00 2.34 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 92 E 8.44 4.14 0.00 2.01 1.78 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 2.23 1.86 0.00 93 F 8.47 4.39 0.00 2.02 2.74 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 94 P 0.00 4.46 0.00 2.07 1.91 0.00 3.02 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 95 I 7.94 4.37 1.88 0.00 0.00 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 1.48 0.78 0.91 0.00 0.00 96 A 8.45 4.08 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 97 P 0.00 4.28 0.00 2.15 2.12 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 98 E 8.19 4.09 0.00 1.89 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 2.29 2.40 0.00 99 I 7.66 4.36 1.90 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 1.57 1.15 0.96 0.00 0.00 100 A 7.61 3.95 1.36 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 0.00 0.00 101 L 7.80 3.90 0.00 1.69 1.72 0.91 0.95 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 0.00 102 E 8.09 3.96 0.00 2.12 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 2.39 2.37 0.00 103 L 8.23 3.84 0.00 1.86 1.77 0.82 0.66 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 0.00 104 L 8.07 3.86 0.00 1.83 1.81 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.90 4.02 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 106 A 8.19 3.96 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 0.00 107 A 8.42 3.86 1.21 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 0.00 0.00 0.00 108 N 8.42 4.24 0.00 2.76 3.00 0.00 0.00 6.87 8.38 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 0.00 109 F 8.42 4.15 0.00 3.01 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 0.00 110 L 8.54 4.06 0.00 1.78 1.77 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.87 4.57 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 8.22 4.43 0.00 3.32 2.96 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 * Residues marked with a * may have inaccurate shift predictions.