NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3256 8.1133 121.1172 56.2182 31.7840 173.6940 3 I 4.8939 8.3332 126.9478 58.7529 39.2840 169.8896 4 V 4.5479 9.0609 126.1998 60.9683 35.8999 173.4940 5 Q 4.5831 8.8556 127.8929 55.8543 29.5857 175.5973 6 A 3.9672 9.6628 129.1876 52.3311 19.2960 176.4556 7 T 4.5787 8.3348 114.8332 59.5145 70.7617 174.3081 8 L 4.0894 8.2413 123.9880 57.3717 42.1615 178.0534 9 E 4.2005 8.0771 116.2513 58.4558 29.7905 177.3202 10 H 4.6900 8.0301 115.4528 55.3515 29.1593 176.2253 11 L 3.8542 7.3413 122.4335 58.6616 41.6056 178.3818 12 D 4.3800 8.1199 116.4405 57.6171 40.8351 178.4573 13 L 4.1377 7.7500 118.9323 57.9241 42.5563 178.1733 14 L 4.0529 8.3296 120.4490 57.5799 42.0327 178.2907 15 A 4.0801 8.2390 121.6117 54.9856 18.2935 177.8997 16 P 4.2744 0.0000 0.0000 66.0756 31.3244 178.3185 17 L 4.2137 7.9943 119.5384 57.4644 42.1593 178.5764 18 F 4.3159 8.3265 121.1580 61.2078 39.2397 177.3432 19 V 3.4930 7.9677 117.9644 65.9488 31.3677 178.2161 20 K 4.2210 8.2015 119.4794 58.7945 31.5658 178.8051 21 Y 3.1963 7.1089 119.5392 60.3397 39.1239 177.6753 22 R 3.6037 7.5715 118.7975 59.0769 30.1721 178.7956 23 E 3.9017 8.3237 118.7466 59.3747 29.2097 179.0689 24 F 4.2174 7.9762 119.6539 61.1498 39.3614 175.5992 25 Y 4.2637 7.4376 114.0247 56.9123 39.4800 174.1594 26 G 3.3276 7.4072 112.5842 45.4548 0.0000 172.1926 *28 L 3.7835 7.8106 120.3108 54.1173 42.1380 176.8617 29 S 4.0089 8.5098 118.8578 59.3123 62.8457 174.6911 30 Y 4.4500 8.1963 124.6898 54.9419 37.3633 174.5749 31 P 4.3345 0.0000 0.0000 65.7856 31.9747 178.5022 32 E 4.1098 8.3407 117.0622 59.5385 29.6233 179.0083 33 S 4.3057 8.2948 114.5111 62.2689 62.9515 177.1792 34 S 4.5190 9.1478 118.1625 61.4878 62.5484 176.7532 35 R 4.0336 7.7355 120.6998 59.0906 29.9988 178.3456 36 K 3.9777 9.1916 120.5561 59.4420 32.1938 178.5503 37 F 4.1383 8.8950 121.2602 61.3160 39.2936 177.1898 38 L 3.7731 7.9545 118.2021 57.5335 41.3779 178.9480 39 E 3.8561 8.1857 119.2388 59.2983 29.5495 179.1339 40 K 3.8997 7.8269 118.1111 59.3654 32.1016 179.2154 41 R 3.7430 7.6231 118.9456 59.3737 29.6272 178.5661 42 L 3.8704 8.0785 118.9679 57.9101 41.4510 179.5806 43 R 3.8960 8.1585 117.6354 58.8885 30.1213 177.7497 44 R 4.2453 8.2425 115.4175 54.8334 31.2256 176.1110 45 K 3.7789 7.3221 117.4723 57.8797 30.0305 175.0707 46 E 4.7514 8.0408 113.6249 55.8266 30.5709 177.0003 47 S 4.7096 7.3444 113.4979 58.0783 65.8018 175.0610 48 V 4.1149 8.2183 119.0907 61.1705 33.6111 173.9461 49 I 4.6938 7.9957 128.5706 59.7252 39.9137 173.9553 50 Y 4.9065 8.8649 125.3694 56.3896 40.1384 174.7303 51 L 4.9424 9.6771 125.0609 53.1960 44.5645 175.6962 52 A 4.9986 8.9694 125.5453 50.7098 20.0555 175.5189 53 L 4.9800 9.3048 122.3017 54.3680 43.1003 176.9437 54 A 4.1412 8.2602 125.3119 53.6130 20.0813 176.9228 *58 D 4.3823 7.7682 114.9953 53.4550 40.1237 174.9531 59 R 4.5231 8.1984 124.4273 54.1049 32.4984 174.5100 60 L 4.1824 8.6324 127.6797 56.0183 42.0261 176.2612 61 L 4.2465 9.3249 128.8092 57.0423 43.0752 177.2082 62 G 4.4006 7.6987 103.9889 46.0495 0.0000 172.0840 63 F 5.7599 8.3357 114.6123 55.6152 41.9929 173.1051 64 C 5.0054 9.0598 113.2346 56.9358 33.4136 172.6259 65 Q 4.9684 9.5106 122.1222 54.3852 32.2738 173.7600 66 L 5.3289 8.7271 125.2910 53.2272 45.5621 174.9781 67 Y 5.2767 8.9019 120.1626 55.6285 40.8030 173.3255 68 P 4.0640 0.0000 0.0000 62.6592 32.7229 175.0578 69 S 4.3850 7.6034 115.9706 57.2341 66.6293 172.0016 70 F 5.1413 8.4440 119.4292 55.7103 43.4235 174.8329 71 S 4.5310 9.4560 116.3545 56.8464 63.4193 174.9231 72 S 4.1273 8.8148 124.5689 61.6797 63.0967 176.8269 73 L 3.9603 8.2148 118.8949 57.6468 41.2964 178.3517 74 S 4.5963 7.8556 108.8988 56.9358 63.5505 174.0107 75 L 3.6721 7.6610 119.2392 55.7905 39.3977 172.8701 76 K 4.8149 7.9944 116.3126 55.0408 37.9291 177.5367 77 R 4.3946 8.5354 119.6327 56.0067 31.9971 176.0655 78 V 4.6360 8.1003 121.3023 60.9980 34.5962 174.0772 79 W 4.8696 8.6445 127.7598 55.2263 30.8692 175.8819 80 I 4.4669 8.6151 125.9303 59.3870 38.3759 175.0604 81 L 4.2818 8.7946 131.0430 55.4961 41.2820 175.6918 82 N 4.8181 8.9378 126.0777 55.2044 40.2236 175.0394 83 D 4.9629 7.8634 116.7406 52.5706 45.5143 174.7319 84 I 4.4822 7.9350 121.6166 59.8611 41.3716 173.3402 85 Y 4.5544 8.4224 130.8353 56.1892 42.1597 173.4081 86 V 4.4145 7.7446 126.7641 60.7048 33.2207 175.0863 87 A 3.7824 8.4272 129.7638 52.4857 18.8678 177.5784 88 E 3.8276 9.0579 122.5473 59.6275 29.7215 179.0620 89 E 4.3289 7.8978 116.3175 55.6724 29.3017 176.3388 90 A 4.6146 7.4211 118.2235 50.2705 22.6345 176.9300 91 R 3.9351 8.3463 119.7614 56.2362 31.0416 176.7126 92 R 4.0557 8.3839 118.9639 57.8557 30.7643 176.7885 93 Q 4.5070 7.7763 116.1915 55.5492 30.7436 176.9248 94 L 3.9682 7.8839 118.5013 59.9130 40.8619 179.2490 95 V 3.6119 7.7198 119.0874 64.8483 31.3783 177.7714 96 A 3.9060 7.8327 120.4195 55.0461 18.2944 178.8022 97 D 4.2656 7.9649 116.3918 58.0087 41.3841 178.1737 98 H 4.0240 8.1903 116.5096 58.7299 28.6395 177.8719 99 L 3.8969 7.9073 120.6578 57.9698 41.5253 179.5925 100 L 4.0959 8.2952 119.1830 57.5628 41.4010 179.5714 101 Q 3.8545 8.3854 120.0688 59.5664 28.8942 177.5303 102 H 3.7984 7.7969 117.4340 59.0891 29.7444 176.8057 103 A 3.8058 7.5233 121.6679 54.9570 18.7393 178.8782 104 K 3.8928 8.1785 118.5325 59.7165 32.1502 179.3972 105 Q 4.0764 8.0626 118.5182 56.1218 28.9606 177.7476 *107 A 4.3038 8.0014 122.4791 51.8699 20.8651 180.1752 108 R 3.9309 7.8726 114.3374 59.5387 30.1651 179.2234 109 E 3.9908 8.0911 115.8248 58.5956 29.4729 177.8651 110 T 4.4555 7.7467 106.7754 60.6139 69.4112 173.8276 111 H 4.0527 7.7339 117.2590 57.1138 26.8576 174.9031 112 A 4.4632 7.9968 120.1927 51.9633 19.4018 178.8025 113 V 3.9084 8.6437 121.2674 65.8438 32.9358 176.5470 114 R 4.2981 7.3991 117.6978 56.1714 35.2341 174.1835 *116 R 4.6254 8.3471 116.1839 56.6075 31.9919 174.7419 117 V 4.4790 7.9597 119.2316 62.0066 34.4556 172.9282 118 S 4.7729 8.1993 121.0733 56.5980 66.4916 172.8743 119 T 4.1268 7.7952 114.9482 61.7122 69.3626 172.0652 120 S 4.2891 8.7184 120.1731 58.5184 62.8005 176.1196 121 V 3.8114 8.1835 118.8634 61.7765 30.6390 176.0422 *123 N 4.6058 8.0885 116.1199 53.4371 40.3562 176.1631 124 E 3.8889 8.5077 118.0605 59.3401 29.3567 178.7395 125 V 3.5161 7.8555 115.9301 66.2018 31.7041 177.2938 126 A 3.7450 8.0378 120.0318 55.2943 18.1741 179.2733 127 Q 4.0127 8.0787 115.3457 59.4101 28.8250 179.8457 128 K 4.0012 8.0622 120.2982 59.2673 31.9746 179.2096 129 V 3.5457 7.7190 118.2949 66.0446 31.6634 177.4765 130 Y 4.6364 7.4508 115.8772 61.4885 37.7873 178.0577 131 E 4.7060 8.7366 121.1243 58.8226 29.3440 179.0157 132 S 4.3984 7.7222 111.6369 60.1254 62.3532 174.7855 133 I 4.6145 8.3371 112.9716 61.6079 38.5406 174.7391 134 G 3.8366 8.2099 115.0412 46.8037 0.0000 175.7714 135 F 4.0445 8.3710 119.6034 57.9948 39.2196 174.6662 136 R 4.9625 8.3545 123.2625 53.6496 33.4167 174.9826 137 E 3.9019 8.7132 120.4142 56.0510 29.3405 175.0244 138 D 4.4329 8.7436 127.5011 55.1324 40.6665 175.9869 139 Q 4.5397 8.5716 123.7132 55.6150 29.6806 176.1851 140 E 4.1044 8.1712 118.5853 56.5336 30.4648 175.3134 141 F 5.0634 8.2051 115.4447 55.2216 42.6878 173.8268 142 K 4.5496 8.7922 122.4485 54.6465 34.2100 174.8249 143 N 4.9980 8.4865 123.1381 51.6147 40.6524 173.6347 144 Y 4.8612 8.4684 119.2172 56.5097 41.3823 174.6969 145 T 4.7091 8.1647 117.1241 62.1800 72.5198 174.1741 146 L 4.2113 8.1490 123.9670 53.7072 42.9386 172.9545 147 P 4.3839 0.0000 0.0000 63.2339 31.8861 176.4501 148 I 4.4164 8.3687 120.6751 62.2623 39.9228 175.0509 149 S 4.6224 7.5870 112.8567 57.4911 66.5248 173.5696 150 D 4.5203 8.6377 120.1645 55.1975 40.7929 176.4797 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 2 R 8.11 4.33 0.00 1.90 2.06 0.00 3.10 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 3 I 8.33 4.89 1.59 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 1.18 0.47 0.55 0.00 0.00 4 V 9.06 4.55 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 0.94 0.00 0.00 0.93 0.00 0.00 5 Q 8.86 4.58 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 6 A 9.66 3.97 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.33 4.58 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 1.31 0.00 0.00 8 L 8.24 4.09 0.00 1.74 1.63 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.08 4.20 0.00 1.86 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 2.35 0.00 10 H 8.03 4.69 0.00 3.30 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.34 3.85 0.00 1.77 1.68 0.87 1.17 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 12 D 8.12 4.38 0.00 2.69 2.75 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 13 L 7.75 4.14 0.00 1.64 1.89 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.33 4.05 0.00 1.70 1.66 0.35 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.24 4.08 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 P 0.00 4.27 0.00 2.34 2.37 0.00 3.77 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 2.25 2.06 0.00 17 L 7.99 4.21 0.00 1.95 1.88 1.32 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.33 4.32 0.00 2.92 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 19 V 7.97 3.49 2.27 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 1.06 0.00 0.00 1.11 0.00 0.00 20 K 8.20 4.22 0.00 2.07 1.93 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 21 Y 7.11 3.20 0.00 2.27 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 22 R 7.57 3.60 0.00 1.82 1.75 0.00 2.64 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 23 E 8.32 3.90 0.00 2.11 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 2.27 2.48 0.00 24 F 7.98 4.22 0.00 3.07 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 25 Y 7.44 4.26 0.00 2.81 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 26 G 7.41 3.33 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 *28 L 7.81 3.78 0.00 1.45 1.28 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.51 4.01 0.00 3.87 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 30 Y 8.20 4.45 0.00 3.00 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 31 P 0.00 4.33 0.00 2.21 2.15 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 32 E 8.34 4.11 0.00 2.09 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 2.44 2.45 0.00 33 S 8.29 4.31 0.00 3.93 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 34 S 9.15 4.52 0.00 4.05 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 0.00 35 R 7.74 4.03 0.00 2.25 2.16 0.00 3.30 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 36 K 9.19 3.98 0.00 1.98 2.04 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 37 F 8.90 4.14 0.00 3.33 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 38 L 7.95 3.77 0.00 1.80 1.49 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.19 3.86 0.00 2.02 2.09 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 2.28 2.33 0.00 40 K 7.83 3.90 0.00 1.75 1.74 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.57 7.81 41 R 7.62 3.74 0.00 1.75 1.73 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 42 L 8.08 3.87 0.00 1.87 1.63 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.16 3.90 0.00 1.87 1.92 0.00 3.23 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 44 R 8.24 4.25 0.00 1.80 1.93 0.00 3.44 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 45 K 7.32 3.78 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.38 7.81 46 E 8.04 4.75 0.00 1.85 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 2.27 2.22 0.00 47 S 7.34 4.71 0.00 3.61 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 48 V 8.22 4.11 1.66 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 0.18 0.00 0.00 0.78 0.00 0.00 49 I 8.00 4.69 1.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.86 0.00 0.00 50 Y 8.86 4.91 0.00 2.88 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 51 L 9.68 4.94 0.00 1.43 1.57 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.97 5.00 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 53 L 9.30 4.98 0.00 1.46 1.60 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.26 4.14 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 *58 D 7.77 4.38 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.52 0.00 1.92 1.82 0.00 3.20 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 60 L 8.63 4.18 0.00 1.73 1.68 0.99 1.13 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 61 L 9.32 4.25 0.00 1.75 1.67 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.70 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 0.00 0.00 0.00 0.00 63 F 8.34 5.76 0.00 3.17 3.19 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 64 C 9.06 5.01 0.00 3.09 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 65 Q 9.51 4.97 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 66 L 8.73 5.33 0.00 1.71 1.81 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.90 5.28 0.00 2.96 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 68 P 0.00 4.06 0.00 1.64 1.78 0.00 4.03 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 1.95 1.99 0.00 69 S 7.60 4.38 0.00 3.75 3.59 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 70 F 8.44 5.14 0.00 2.81 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 71 S 9.46 4.53 0.00 3.81 3.86 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 0.00 0.00 0.00 72 S 8.81 4.13 0.00 3.94 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 73 L 8.21 3.96 0.00 1.70 1.82 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.86 4.60 0.00 3.96 3.98 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 75 L 7.66 3.67 0.00 1.80 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.99 4.81 0.00 1.72 1.71 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.73 7.81 77 R 8.54 4.39 0.00 1.65 1.21 0.00 3.19 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 78 V 8.10 4.64 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 0.96 0.00 0.00 0.89 0.00 0.00 79 W 8.64 4.87 0.00 3.30 3.17 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 80 I 8.62 4.47 2.11 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 1.13 0.82 0.99 0.00 0.00 81 L 8.79 4.28 0.00 1.70 1.62 0.96 0.70 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 82 N 8.94 4.82 0.00 3.06 3.00 0.00 0.00 6.97 8.30 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 83 D 7.86 4.96 0.00 2.48 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 0.00 0.00 0.00 84 I 7.93 4.48 1.85 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 1.13 0.54 1.00 0.00 0.00 85 Y 8.42 4.55 0.00 2.74 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 0.00 0.00 0.00 0.00 86 V 7.74 4.41 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 0.76 0.00 0.00 0.80 0.00 0.00 87 A 8.43 3.78 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 88 E 9.06 3.83 0.00 1.92 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 0.00 2.28 2.32 0.00 89 E 7.90 4.33 0.00 1.97 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 2.31 2.36 0.00 90 A 7.42 4.61 1.15 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 91 R 8.35 3.94 0.00 1.77 1.90 0.00 3.18 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 92 R 8.38 4.06 0.00 1.68 1.89 0.00 3.09 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 93 Q 7.78 4.51 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 94 L 7.88 3.97 0.00 1.92 1.89 0.87 0.52 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 95 V 7.72 3.61 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 1.01 0.00 0.00 0.88 0.00 0.00 96 A 7.83 3.91 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 97 D 7.96 4.27 0.00 3.02 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.19 4.02 0.00 3.22 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.91 3.90 0.00 1.97 1.71 0.95 0.70 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 0.00 100 L 8.30 4.10 0.00 1.74 1.85 1.20 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.39 3.85 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 102 H 7.80 3.80 0.00 3.17 3.17 0.00 5.81 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 0.00 103 A 7.52 3.81 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 0.00 104 K 8.18 3.89 0.00 1.89 1.98 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.36 7.81 105 Q 8.06 4.08 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.16 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 *107 A 8.00 4.30 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 0.00 108 R 7.87 3.93 0.00 2.05 1.95 0.00 3.10 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 109 E 8.09 3.99 0.00 1.91 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 2.29 2.42 0.00 110 T 7.75 4.46 4.53 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 1.30 0.00 0.00 111 H 7.73 4.05 0.00 3.38 3.41 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.00 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.64 3.91 2.12 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 0.88 0.00 0.00 0.97 0.00 0.00 114 R 7.40 4.30 0.00 1.91 1.90 0.00 3.04 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 *116 R 8.35 4.63 0.00 1.87 1.96 0.00 3.10 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 117 V 7.96 4.48 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 0.00 0.00 -0.13 0.00 0.00 -0.27 0.00 0.00 118 S 8.20 4.77 0.00 3.84 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 0.00 119 T 7.80 4.13 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 1.35 0.00 0.00 120 S 8.72 4.29 0.00 3.93 3.82 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 0.00 121 V 8.18 3.81 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 0.74 0.00 0.00 0.95 0.00 0.00 *123 N 8.09 4.61 0.00 2.80 3.03 0.00 0.00 7.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.51 3.89 0.00 2.01 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 0.00 2.42 2.37 0.00 125 V 7.86 3.52 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 0.80 0.00 0.00 0.93 0.00 0.00 126 A 8.04 3.75 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 0.00 127 Q 8.08 4.01 0.00 2.29 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 128 K 8.06 4.00 0.00 1.91 1.88 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 129 V 7.72 3.55 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 0.83 0.00 0.00 0.86 0.00 0.00 130 Y 7.45 4.64 0.00 3.04 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 0.00 131 E 8.74 4.71 0.00 2.14 2.09 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 2.55 2.39 0.00 132 S 7.72 4.40 0.00 3.97 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 0.00 133 I 8.34 4.61 1.91 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.06 1.02 0.00 0.00 134 G 8.21 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.37 4.04 0.00 3.33 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 0.00 136 R 8.35 4.96 0.00 1.80 1.85 0.00 3.41 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 137 E 8.71 3.90 0.00 1.98 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 2.33 2.34 0.00 138 D 8.74 4.43 0.00 2.76 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 0.00 139 Q 8.57 4.54 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 140 E 8.17 4.10 0.00 1.79 1.53 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 1.61 2.07 0.00 141 F 8.21 5.06 0.00 3.44 2.89 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 0.00 142 K 8.79 4.55 0.00 1.73 1.81 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.94 1.25 7.81 143 N 8.49 5.00 0.00 2.64 2.67 0.00 0.00 6.90 7.46 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 0.00 144 Y 8.47 4.86 0.00 2.89 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 0.00 145 T 8.16 4.71 4.28 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 1.23 0.00 0.00 146 L 8.15 4.21 0.00 1.58 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.38 0.00 2.08 1.99 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 148 I 8.37 4.42 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 1.62 0.88 0.91 0.00 0.00 149 S 7.59 4.62 0.00 3.78 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 0.00 150 D 8.64 4.52 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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.