NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3605 8.3149 120.0852 56.3947 33.2254 176.2931 4 I 3.6850 7.7501 121.0758 61.0257 36.7300 173.1368 5 R 4.8583 8.6108 127.7119 54.4066 32.9937 173.7644 6 I 5.5506 8.4457 120.2778 58.5065 39.9588 174.7069 7 K 5.1223 8.6735 125.4448 54.6758 35.3078 175.1111 8 L 5.6016 9.4581 122.9405 52.8771 46.5152 176.0956 9 R 5.4292 8.1064 121.2802 54.8443 32.8444 174.1938 10 G 4.0668 8.4587 112.3659 44.3128 0.0000 171.6031 11 F 5.3271 8.5644 117.1880 57.1079 39.4357 175.5137 12 D 4.4660 7.7791 121.5004 52.8693 42.9158 175.3683 13 H 4.1457 8.7146 120.1524 56.7065 28.2381 174.6103 14 K 4.4001 8.6149 119.7546 58.6576 33.9066 180.4975 15 T 4.3759 7.5259 108.1011 60.7130 67.9766 174.1951 16 L 4.7927 9.7539 124.8625 57.1532 49.8100 175.7838 17 D 4.1798 8.3247 117.2891 57.5660 40.7451 178.3884 18 A 4.0394 7.8691 120.5112 55.0591 18.9874 179.4348 19 S 3.6383 8.1743 111.8071 61.5776 62.4408 176.3995 20 A 4.0534 8.5962 124.7591 54.7154 18.4774 178.7258 21 Q 4.1478 7.7860 117.0589 57.6385 29.0675 176.9427 22 K 4.3501 8.4593 119.4125 57.1256 33.5399 176.5717 23 I 4.5675 7.0864 117.8077 59.8257 36.6722 173.7104 24 V 4.5666 6.8457 122.8907 63.7121 39.0728 175.2944 25 E 3.5759 8.2389 118.1388 58.5582 29.6733 177.5089 26 A 4.8414 7.6730 121.9425 51.3252 19.5690 176.6252 27 A 5.2796 7.5854 123.3878 55.7403 26.3000 179.6527 28 R 3.9091 8.8480 115.6617 59.7298 30.2239 179.5391 29 R 4.4032 7.4027 113.4204 56.9047 29.5470 176.9736 30 S 4.6526 8.3642 111.2429 57.4194 65.2692 173.8175 31 G 3.9686 8.8190 108.9288 45.4711 0.0000 172.3044 32 A 3.9290 8.9914 124.3700 52.7835 19.0013 177.3950 33 Q 4.1194 8.5059 120.9161 55.9654 30.4932 176.3641 34 V 4.6904 8.0602 120.4850 60.6912 34.1834 175.2317 35 S 4.1987 8.5036 122.4923 58.3742 63.1871 174.2033 36 G 3.8737 8.8083 113.3332 44.4025 0.0000 170.8078 37 P 4.2941 0.0000 0.0000 62.4636 31.0679 176.1861 38 I 4.1059 8.3861 119.2170 59.7802 38.5613 173.7516 39 P 4.7773 0.0000 0.0000 62.4485 31.9018 175.5402 40 L 5.0408 8.0008 122.7906 52.6161 43.9675 174.4672 41 P 4.1506 0.0000 0.0000 64.1535 31.2283 176.1838 42 T 4.2638 8.2863 118.7777 63.1649 70.3432 174.9485 43 R 4.3230 8.5352 123.2143 54.7262 31.2796 175.3319 44 V 3.6902 8.1759 124.3172 62.2288 30.4956 174.9129 45 R 4.2696 8.5072 128.0157 55.0360 29.1073 175.5900 46 R 4.3859 8.0372 123.5192 55.9877 31.6931 174.3886 47 F 4.7279 8.3989 117.9704 57.2934 43.8563 174.5393 48 T 4.4537 8.5055 112.3270 63.1056 72.1486 174.1578 49 V 4.3632 8.1721 125.9798 60.5959 34.8038 173.1690 50 I 3.5664 8.6591 118.7529 61.1019 36.8052 175.0512 51 R 3.7472 8.1519 124.5370 58.2477 30.4993 176.5991 52 G 4.0556 7.9521 110.0239 45.7722 0.0000 171.4006 53 P 4.6406 0.0000 0.0000 63.6780 33.2891 176.3914 54 F 4.7695 7.8134 117.2347 58.2102 38.7747 177.9668 55 K 4.5162 8.6245 118.1158 55.1344 33.7223 175.6876 56 H 4.6647 8.8480 120.5966 58.0657 30.5015 177.6016 57 K 4.8414 7.7168 121.1614 59.0831 33.1135 176.9643 58 D 4.4705 8.7714 123.8358 56.4872 41.2168 178.6124 59 S 3.6556 7.2987 118.4885 60.0970 59.5434 171.4857 60 R 4.8825 7.8632 127.5621 54.8561 32.7694 174.3163 61 E 4.5575 8.0435 119.1323 56.1925 32.9832 175.0386 62 H 4.9200 8.8038 122.5623 53.5712 31.4670 172.5638 63 F 5.2476 8.4550 114.7925 55.3507 42.1686 172.5420 64 E 5.3630 8.7049 115.7782 54.6673 32.3487 174.5865 65 L 4.2221 8.0929 119.4576 53.7249 44.7366 175.8906 66 R 4.2323 8.3354 126.6748 55.9301 30.7410 176.8874 67 T 4.6103 8.4206 121.0902 61.1341 67.9442 173.4836 68 H 4.8240 9.0978 126.7283 55.6379 30.0266 174.3290 69 N 5.4783 8.7979 118.9144 51.6209 41.5747 173.7086 70 R 4.8932 9.5761 122.2311 54.4014 34.8131 174.0591 71 L 5.2104 8.3832 124.1629 53.5174 46.0175 175.0411 72 V 4.7553 9.1203 125.0908 61.3314 35.0499 173.8256 73 D 5.3800 8.5176 124.8954 52.7389 44.7162 174.9242 74 I 4.6534 7.5959 110.4166 60.1120 40.0662 175.0003 75 I 3.8863 8.2589 120.6263 63.3803 37.8263 176.1391 76 N 4.8562 7.8843 125.5697 49.3582 39.9764 172.7712 77 P 4.4315 0.0000 0.0000 63.1317 32.0852 176.2659 78 N 4.9576 8.3257 116.1273 50.8789 42.8309 176.0663 79 R 4.0567 8.7402 124.4521 58.4250 30.3731 178.4919 80 K 4.1480 7.9437 119.9086 59.1911 32.3387 178.4017 81 T 3.8602 7.8819 109.6833 64.9301 68.5179 175.9445 82 I 3.6669 7.5478 122.1989 64.3360 36.9993 177.7021 83 E 4.1441 7.6314 118.4579 59.0336 29.3533 178.3450 84 Q 4.3387 7.6851 116.6420 58.0107 29.5315 177.8115 85 L 3.9983 8.3625 119.1976 57.5324 42.0473 178.1224 86 M 4.4776 8.2442 117.5158 55.2815 31.9406 176.2844 87 T 4.6967 7.0004 107.3453 62.5435 76.4400 174.2398 88 L 4.4268 7.8137 129.0428 53.1490 41.6740 178.4611 89 D 4.8974 7.3169 130.3866 52.2974 40.8179 177.4202 90 L 4.3128 8.5089 127.2355 56.3632 40.6151 171.2661 91 P 4.8749 0.0000 0.0000 60.8782 33.7786 174.6237 92 T 3.9366 8.7886 118.3115 64.6491 67.1932 175.1610 93 G 4.0987 7.4143 111.1833 44.4610 0.0000 170.7304 94 V 4.3568 7.6325 123.6128 61.3138 34.8529 173.6272 95 E 4.6437 8.7696 128.4960 55.5600 31.7515 174.3285 96 I 5.6215 7.7753 116.0998 60.0187 41.3663 173.4009 97 E 4.7158 8.5494 119.9032 54.6370 33.6981 174.4775 98 I 4.6435 8.4415 124.0298 59.4542 39.6073 174.4025 99 K 4.7095 8.1283 126.0156 54.5756 36.1811 176.6617 100 T 4.4387 7.9489 116.6468 62.7574 68.7402 175.4945 *101 V 3.9215 7.5924 121.2800 60.9382 32.3498 176.9781 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 3 K 8.31 4.36 0.00 1.66 1.94 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 4 I 7.75 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.05 0.94 0.00 0.00 5 R 8.61 4.86 0.00 2.00 1.76 0.00 3.13 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 6 I 8.45 5.55 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.62 0.99 0.00 0.00 7 K 8.67 5.12 0.00 1.71 1.73 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 8 L 9.46 5.60 0.00 1.47 1.52 0.92 0.77 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 9 R 8.11 5.43 0.00 1.64 1.93 0.00 3.23 0.00 0.00 3.99 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.49 0.00 10 G 8.46 4.07 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 0.00 0.00 0.00 11 F 8.56 5.33 0.00 2.95 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 12 D 7.78 4.47 0.00 2.65 2.46 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 13 H 8.71 4.15 0.00 3.25 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.61 4.40 0.00 1.64 1.97 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.31 7.81 15 T 7.53 4.38 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 1.23 0.00 0.00 16 L 9.75 4.79 0.00 1.62 1.86 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.32 4.18 0.00 2.98 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 18 A 7.87 4.04 1.31 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 0.00 0.00 19 S 8.17 3.64 0.00 4.05 4.15 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 20 A 8.60 4.05 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 21 Q 7.79 4.15 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 K 8.46 4.35 0.00 1.89 1.94 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 I 7.09 4.57 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.91 0.00 0.00 24 V 6.85 4.57 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 0.96 0.00 0.00 0.99 0.00 0.00 25 E 8.24 3.58 0.00 2.18 2.21 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 2.37 2.32 0.00 26 A 7.67 4.84 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 27 A 7.59 5.28 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 28 R 8.85 3.91 0.00 1.84 2.00 0.00 3.13 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 29 R 7.40 4.40 0.00 1.96 2.26 0.00 3.20 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 30 S 8.36 4.65 0.00 3.96 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 0.00 31 G 8.82 3.97 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 0.00 0.00 0.00 32 A 8.99 3.93 1.30 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 0.00 0.00 33 Q 8.51 4.12 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 34 V 8.06 4.69 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 0.95 0.00 0.00 0.99 0.00 0.00 35 S 8.50 4.20 0.00 3.96 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 36 G 8.81 3.87 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 0.00 0.00 0.00 37 P 0.00 4.29 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 38 I 8.39 4.11 1.88 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 1.51 0.83 0.97 0.00 0.00 39 P 0.00 4.78 0.00 2.11 2.11 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 40 L 8.00 5.04 0.00 1.52 1.64 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.15 0.00 2.19 2.14 0.00 3.76 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 2.00 2.02 0.00 42 T 8.29 4.26 4.15 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 1.01 0.00 0.00 43 R 8.54 4.32 0.00 1.75 1.88 0.00 3.28 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 44 V 8.18 3.69 2.07 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 0.80 0.00 0.00 0.93 0.00 0.00 45 R 8.51 4.27 0.00 1.97 1.92 0.00 3.28 0.00 0.00 3.49 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 46 R 8.04 4.39 0.00 1.71 1.91 0.00 3.22 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 47 F 8.40 4.73 0.00 3.39 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 48 T 8.51 4.45 4.26 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 1.21 0.00 0.00 49 V 8.17 4.36 2.21 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 0.73 0.00 0.00 0.99 0.00 0.00 50 I 8.66 3.57 1.88 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 1.43 0.86 0.90 0.00 0.00 51 R 8.15 3.75 0.00 1.80 1.89 0.00 3.21 0.00 0.00 3.20 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 52 G 7.95 4.06 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 0.00 0.00 0.00 53 P 0.00 4.64 0.00 2.30 2.24 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 54 F 7.81 4.77 0.00 2.92 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 55 K 8.62 4.52 0.00 1.61 1.58 0.00 0.98 0.00 0.00 1.16 0.00 0.00 2.65 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.14 1.26 7.81 56 H 8.85 4.66 0.00 3.15 3.22 0.00 5.65 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 57 K 7.72 4.84 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.44 7.81 58 D 8.77 4.47 0.00 2.62 2.53 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 59 S 7.30 3.66 0.00 3.90 4.04 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 0.00 0.00 0.00 60 R 7.86 4.88 0.00 1.63 1.91 0.00 3.15 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 61 E 8.04 4.56 0.00 1.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.06 0.00 62 H 8.80 4.92 0.00 3.30 3.08 0.00 5.54 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.45 5.25 0.00 2.94 3.18 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 64 E 8.70 5.36 0.00 2.12 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 2.21 2.27 0.00 65 L 8.09 4.22 0.00 1.57 1.47 0.17 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.34 4.23 0.00 1.72 1.83 0.00 3.30 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 67 T 8.42 4.61 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 H 9.10 4.82 0.00 3.55 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.80 5.48 0.00 2.63 2.71 0.00 0.00 6.84 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 70 R 9.58 4.89 0.00 1.78 1.77 0.00 3.26 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 71 L 8.38 5.21 0.00 1.58 1.44 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.12 4.76 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 0.97 0.00 0.00 0.94 0.00 0.00 73 D 8.52 5.38 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 4.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.91 0.00 0.00 75 I 8.26 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.91 0.00 0.00 76 N 7.88 4.86 0.00 2.67 2.77 0.00 0.00 6.90 8.02 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 77 P 0.00 4.43 0.00 2.17 2.06 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 78 N 8.33 4.96 0.00 2.69 2.69 0.00 0.00 6.94 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 79 R 8.74 4.06 0.00 1.78 1.99 0.00 3.36 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 7.94 4.15 0.00 1.82 1.79 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 81 T 7.88 3.86 4.24 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 1.25 0.00 0.00 82 I 7.55 3.67 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.77 0.91 0.00 0.00 83 E 7.63 4.14 0.00 1.90 2.28 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 2.33 2.38 0.00 84 Q 7.69 4.34 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 85 L 8.36 4.00 0.00 1.57 1.72 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.24 4.48 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 87 T 7.00 4.70 4.24 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 1.24 0.00 0.00 88 L 7.81 4.43 0.00 1.57 1.64 0.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.32 4.90 0.00 2.70 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 0.00 0.00 0.00 0.00 90 L 8.51 4.31 0.00 1.64 1.93 0.91 0.81 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 91 P 0.00 4.87 0.00 2.23 1.98 0.00 3.82 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 92 T 8.79 3.94 4.22 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 1.18 0.00 0.00 93 G 7.41 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 0.00 0.00 0.00 94 V 7.63 4.36 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 0.77 0.00 0.00 0.93 0.00 0.00 95 E 8.77 4.64 0.00 2.07 1.74 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 2.31 2.33 0.00 96 I 7.78 5.62 1.86 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 1.35 1.33 0.90 0.00 0.00 97 E 8.55 4.72 0.00 1.95 1.81 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 2.28 2.23 0.00 98 I 8.44 4.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.91 0.00 0.00 99 K 8.13 4.71 0.00 1.76 1.68 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.52 7.81 100 T 7.95 4.44 4.24 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 1.21 0.00 0.00 *101 V 7.59 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.