NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 5.2742 8.5398 119.9477 56.9822 34.4138 174.4895 4 I 4.4710 8.0451 114.5853 58.3302 40.7587 172.6955 5 R 5.4972 9.6353 128.8408 54.8583 31.3308 175.8480 6 I 4.6106 8.1907 128.0174 59.7299 39.6550 174.7199 7 K 4.5521 9.4253 128.8361 54.7331 34.3617 174.5460 8 L 5.3115 8.7492 128.4503 52.8517 44.3669 175.9419 9 R 5.0928 7.8051 119.6702 53.4520 32.9519 174.6088 10 G 4.1938 8.3142 106.6908 45.7161 0.0000 173.4814 11 F 5.2933 8.0952 117.3504 58.2503 40.0057 175.6468 12 D 5.0051 8.1060 119.5191 52.6677 42.8265 175.4522 13 H 4.5737 8.9121 120.9989 55.4560 29.0481 175.4744 14 K 4.3202 9.1290 122.7668 57.4843 33.9424 177.4616 15 T 4.3674 7.6650 112.2834 64.1786 68.9424 174.4070 16 L 4.5648 7.6751 119.8913 56.4087 44.1340 178.1357 17 D 4.1880 8.2777 115.7158 57.1785 41.6611 177.1549 18 A 4.1763 8.0326 121.4112 54.9115 18.9828 179.3490 19 S 3.9831 8.2327 109.9062 61.6659 62.4718 175.8820 20 A 4.3477 8.4805 119.2789 52.9004 17.6632 178.4865 21 Q 4.3091 8.0554 120.4258 59.2302 29.1974 178.3861 22 K 4.1103 7.7571 119.2937 59.0445 31.8138 178.7225 23 I 4.3255 7.4666 117.5505 61.5963 37.4047 176.7561 24 V 4.3648 7.4564 118.6962 63.5350 34.8015 176.0798 25 E 4.1795 8.0893 119.0874 58.5583 29.8928 177.0541 26 A 5.1454 8.3100 120.9097 51.0162 18.7939 177.5029 27 A 4.6476 7.5204 121.0279 54.0344 24.6722 179.4895 28 R 4.1131 7.8373 114.5732 58.1507 30.8631 177.2604 29 R 4.7108 7.4407 115.3182 53.7499 30.3544 175.1425 30 S 5.1974 7.5792 116.2693 58.2237 65.3039 177.2644 31 G 4.3296 7.7592 108.3575 46.3897 0.0000 173.8996 32 A 4.4759 8.4935 127.6158 52.2289 17.7043 178.6123 33 Q 4.3557 8.5801 116.1598 56.0386 30.5683 173.9651 34 V 3.5080 7.5367 120.6817 63.1899 32.1629 171.1390 35 S 4.4135 9.1977 119.1763 57.8740 62.3035 174.2325 36 G 3.9021 7.7043 111.6520 43.2126 0.0000 171.6160 37 P 4.5825 0.0000 0.0000 62.1972 32.1081 175.7958 38 I 4.2420 8.2970 124.3459 58.8516 37.9123 173.4225 39 P 3.9653 0.0000 0.0000 61.9133 31.3187 172.9418 40 L 3.8677 8.2773 126.8331 53.8990 41.4837 172.8912 41 P 4.3270 0.0000 0.0000 63.5385 31.5371 175.2163 42 T 4.6452 8.1042 114.6188 62.4959 70.9866 175.3831 43 R 4.4893 8.1719 123.7191 54.3848 30.6936 173.5701 44 V 3.6685 7.9970 121.8139 62.2974 32.8580 174.4641 45 R 4.4389 8.1962 128.2666 54.6307 31.8853 174.8343 46 R 4.8806 8.1702 124.6352 54.3053 33.3025 175.2902 47 F 4.8762 9.5436 120.8435 56.0669 42.3984 174.0534 48 T 5.0813 8.8312 120.6765 61.7859 70.2819 174.2020 49 V 4.6381 8.1772 124.3038 59.6410 35.3502 175.1446 50 I 4.2136 8.3948 123.6926 61.0995 37.6768 175.9042 51 R 4.0305 8.3148 124.6511 59.2552 30.0551 177.6273 52 G 4.0898 7.7452 104.1609 43.6483 0.0000 171.8765 53 P 4.4764 0.0000 0.0000 64.4129 31.8362 176.5165 54 F 5.0542 7.8786 119.7060 57.3616 43.2496 175.5913 55 K 3.3235 8.6407 125.1861 55.9272 33.6415 174.7283 56 H 4.1113 8.5595 108.2455 56.1388 26.2781 176.0818 57 K 4.1775 8.2336 112.5534 58.3224 31.9445 176.4016 58 D 4.9156 8.3147 118.2318 54.5783 41.2940 177.0688 59 S 4.4610 8.1454 113.9391 60.1323 66.0080 177.0524 60 R 4.2707 9.1223 120.8122 54.7612 27.8824 177.5800 61 E 3.8171 9.3700 124.8599 57.4828 30.7542 171.6624 62 H 5.1941 7.9958 121.7783 54.3290 31.3369 174.2447 63 F 5.3165 8.9117 119.6003 56.0119 42.8794 174.1151 64 E 4.9116 9.1004 121.1378 54.7621 32.6203 176.5101 65 L 4.6941 8.0951 120.0461 54.0393 43.0492 173.2512 66 R 4.2408 7.8852 117.0684 55.8760 30.9219 177.4117 67 T 4.6552 8.2377 120.7375 62.4960 69.3326 174.3680 68 H 4.6860 9.0681 124.4863 55.6737 30.2779 174.5316 69 N 5.4367 8.6173 116.4533 51.9934 42.4988 173.9331 70 R 5.4299 8.8661 118.6725 54.9795 34.8629 174.7374 71 L 4.5070 8.2213 120.2510 56.6706 43.5873 176.4314 72 V 3.7369 8.6872 117.2556 59.4981 31.1179 167.1128 73 D 5.0241 8.1040 129.5882 53.6912 41.0992 173.0421 74 I 4.5616 7.8454 128.2573 59.2854 37.7091 175.9050 75 I 4.0383 8.0092 126.1203 62.0480 37.5666 173.6860 76 N 4.1555 8.6357 123.4274 52.3621 34.6824 172.5989 77 P 4.6097 0.0000 0.0000 62.9960 29.0756 175.8883 78 N 4.5376 7.8720 120.5874 54.1101 39.5366 175.7682 79 R 4.3331 8.4223 120.3978 56.6831 31.0286 177.3016 80 K 4.1965 7.8382 117.9739 58.3664 32.9202 177.8093 81 T 4.6438 7.7712 114.9894 65.9404 68.6030 176.4200 82 I 3.7848 7.7673 120.3893 63.4882 36.3885 176.3635 83 E 4.1766 7.3576 121.0139 57.6238 30.2545 178.5137 84 Q 4.1339 8.0331 118.2417 59.1174 30.3588 177.6720 85 L 4.5991 6.9746 119.4008 53.1966 39.3753 175.2330 86 M 3.2327 8.3370 125.4942 56.5503 31.9197 176.5096 87 T 4.6174 7.3087 115.8362 60.8290 69.2048 174.4491 88 L 4.4283 7.4842 120.0662 53.8923 43.9706 174.2096 89 D 4.6709 7.9050 121.4351 52.5353 42.0772 175.6538 90 L 4.7224 8.2567 116.4134 53.5033 43.3038 175.1910 91 P 4.6994 0.0000 0.0000 62.3620 32.4999 175.8784 92 T 4.4410 8.4201 114.5941 63.5692 71.9895 174.9405 93 G 4.1471 7.7735 109.9670 45.0131 0.0000 172.8709 94 V 4.9061 7.2497 116.7112 61.4068 35.4228 174.1493 95 E 4.7690 8.7232 123.7923 54.6348 33.3005 173.9695 96 I 4.8927 8.3085 124.8890 59.7668 41.0603 174.8382 97 E 4.7408 8.7554 123.2531 55.2497 33.8320 174.5674 98 I 5.6850 8.1787 123.2915 59.5484 41.9496 174.0979 99 K 4.7011 8.3812 123.2739 55.9106 36.8243 176.8598 100 T 4.5124 8.4198 119.1955 61.6930 70.0457 176.7667 *101 V 3.9004 8.0887 115.0988 62.6390 32.4044 172.8419 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 8.54 5.27 0.00 1.78 1.88 0.00 1.10 0.00 0.00 2.36 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.24 7.81 4 I 8.05 4.47 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 1.00 0.91 0.00 0.00 5 R 9.64 5.50 0.00 1.91 1.87 0.00 3.12 0.00 0.00 3.26 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 6 I 8.19 4.61 2.08 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 0.40 0.91 0.00 0.00 7 K 9.43 4.55 0.00 1.87 1.70 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.42 7.81 8 L 8.75 5.31 0.00 1.62 1.53 0.91 0.38 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 9 R 7.81 5.09 0.00 1.81 1.96 0.00 3.30 0.00 0.00 3.24 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.31 0.00 10 G 8.31 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 0.00 0.00 0.00 0.00 11 F 8.10 5.29 0.00 3.01 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 12 D 8.11 5.01 0.00 2.72 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 13 H 8.91 4.57 0.00 3.12 2.99 0.00 5.52 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 14 K 9.13 4.32 0.00 1.55 1.81 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.28 7.81 15 T 7.66 4.37 4.25 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 1.24 0.00 0.00 16 L 7.68 4.56 0.00 1.66 1.64 1.01 0.98 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 17 D 8.28 4.19 0.00 2.71 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 18 A 8.03 4.18 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 19 S 8.23 3.98 0.00 3.90 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 0.00 20 A 8.48 4.35 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 21 Q 8.06 4.31 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 22 K 7.76 4.11 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 23 I 7.47 4.33 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.33 0.91 0.00 0.00 24 V 7.46 4.36 2.25 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 0.83 0.00 0.00 0.98 0.00 0.00 25 E 8.09 4.18 0.00 2.01 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 0.00 2.30 2.52 0.00 26 A 8.31 5.15 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 7.52 4.65 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 28 R 7.84 4.11 0.00 1.86 2.00 0.00 3.10 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 29 R 7.44 4.71 0.00 1.73 1.85 0.00 3.51 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 30 S 7.58 5.20 0.00 4.17 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 31 G 7.76 4.33 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 0.00 32 A 8.49 4.48 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 33 Q 8.58 4.36 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 5.91 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 34 V 7.54 3.51 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 0.93 0.00 0.00 35 S 9.20 4.41 0.00 3.81 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 0.00 36 G 7.70 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.58 0.00 2.19 2.08 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 38 I 8.30 4.24 1.88 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 1.42 1.21 0.92 0.00 0.00 39 P 0.00 3.97 0.00 2.04 1.95 0.00 3.73 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 2.04 2.14 0.00 40 L 8.28 3.87 0.00 1.84 1.82 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.33 0.00 2.17 2.11 0.00 3.75 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 2.01 2.03 0.00 42 T 8.10 4.65 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 1.14 0.00 0.00 43 R 8.17 4.49 0.00 1.66 1.84 0.00 3.27 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 44 V 8.00 3.67 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 0.67 0.00 0.00 0.90 0.00 0.00 45 R 8.20 4.44 0.00 1.95 1.62 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.32 0.00 46 R 8.17 4.88 0.00 1.52 1.66 0.00 3.08 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 47 F 9.54 4.88 0.00 3.15 3.04 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 48 T 8.83 5.08 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 1.27 0.00 0.00 49 V 8.18 4.64 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 0.88 0.00 0.00 1.01 0.00 0.00 50 I 8.39 4.21 1.89 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 1.41 0.55 0.99 0.00 0.00 51 R 8.31 4.03 0.00 1.84 2.02 0.00 3.12 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 52 G 7.75 4.09 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 0.00 0.00 0.00 53 P 0.00 4.48 0.00 2.25 2.24 0.00 3.79 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 2.08 1.99 0.00 54 F 7.88 5.05 0.00 2.77 2.93 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 0.00 55 K 8.64 3.32 0.00 1.66 0.89 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.04 0.93 7.81 56 H 8.56 4.11 0.00 3.31 3.32 0.00 5.63 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 57 K 8.23 4.18 0.00 1.81 1.86 0.00 1.39 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 58 D 8.31 4.92 0.00 2.63 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 59 S 8.15 4.46 0.00 3.94 3.95 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 60 R 9.12 4.27 0.00 1.91 1.51 0.00 3.54 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 61 E 9.37 3.82 0.00 1.92 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 1.47 1.87 0.00 62 H 8.00 5.19 0.00 2.97 3.11 0.00 5.72 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 63 F 8.91 5.32 0.00 3.26 2.91 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 0.00 0.00 0.00 64 E 9.10 4.91 0.00 1.94 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 2.25 2.32 0.00 65 L 8.10 4.69 0.00 1.98 1.59 0.25 0.83 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 66 R 7.89 4.24 0.00 1.73 1.89 0.00 3.17 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 67 T 8.24 4.66 4.33 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 1.30 0.00 0.00 68 H 9.07 4.69 0.00 3.28 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.62 5.44 0.00 2.77 2.68 0.00 0.00 6.73 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 8.87 5.43 0.00 1.68 1.76 0.00 3.25 0.00 0.00 3.21 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 71 L 8.22 4.51 0.00 1.60 1.60 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.69 3.74 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 0.73 0.00 0.00 0.93 0.00 0.00 73 D 8.10 5.02 0.00 2.96 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 74 I 7.85 4.56 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 1.41 0.52 0.91 0.00 0.00 75 I 8.01 4.04 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 1.41 0.47 0.91 0.00 0.00 76 N 8.64 4.16 0.00 2.88 3.07 0.00 0.00 6.94 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 4.61 0.00 2.17 2.10 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 78 N 7.87 4.54 0.00 2.73 2.89 0.00 0.00 7.20 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 8.42 4.33 0.00 1.79 1.97 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 80 K 7.84 4.20 0.00 1.69 1.97 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.60 7.81 81 T 7.77 4.64 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 1.27 0.00 0.00 82 I 7.77 3.78 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 1.41 0.62 0.91 0.00 0.00 83 E 7.36 4.18 0.00 2.30 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 2.32 2.32 0.00 84 Q 8.03 4.13 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 85 L 6.97 4.60 0.00 1.67 1.06 0.92 0.87 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 86 M 8.34 3.23 0.00 2.12 2.15 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 2.47 2.60 0.00 87 T 7.31 4.62 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 88 L 7.48 4.43 0.00 1.58 1.56 0.96 1.06 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 89 D 7.91 4.67 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 90 L 8.26 4.72 0.00 1.60 1.67 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.70 0.00 2.15 2.03 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 92 T 8.42 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 1.20 0.00 0.00 93 G 7.77 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 0.00 0.00 0.00 94 V 7.25 4.91 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 0.75 0.00 0.00 0.93 0.00 0.00 95 E 8.72 4.77 0.00 1.89 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 96 I 8.31 4.89 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.94 0.00 0.00 97 E 8.76 4.74 0.00 1.86 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 2.21 2.42 0.00 98 I 8.18 5.69 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 1.35 0.93 0.96 0.00 0.00 99 K 8.38 4.70 0.00 1.62 1.63 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.39 7.81 100 T 8.42 4.51 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 8.09 3.90 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.