NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2619 8.3149 120.0022 56.5493 33.4100 178.0767 3 I 3.8428 8.9864 118.5852 59.9136 37.9061 174.2710 4 K 4.2002 8.8288 125.7271 55.9992 33.9984 177.1738 5 H 4.0955 9.0444 121.9871 59.7553 29.3520 177.3726 6 E 4.0098 7.9844 117.5725 59.3807 29.6204 178.4026 7 H 4.3844 7.7498 116.8747 58.7423 28.8384 177.3321 8 I 3.9134 7.6475 120.2676 64.1767 37.0063 178.8598 9 R 3.9264 7.4284 114.9425 56.8802 30.1492 176.3298 *11 A 4.1536 7.8864 118.0763 51.6965 20.2285 179.2512 *13 N 4.8138 8.1669 118.7399 54.9460 40.7393 177.1428 14 A 4.1006 8.2082 118.8682 54.7476 18.5289 179.0383 15 W 4.4471 8.3765 125.9327 60.7883 31.1035 177.9956 16 A 4.1764 8.2774 120.1411 54.8834 17.5682 178.7198 17 H 3.9506 8.1272 116.8831 58.8472 29.9626 174.5166 18 P 4.4225 0.0000 0.0000 65.7449 30.9649 176.7385 19 D 4.7347 8.3174 115.4766 52.8833 42.1055 176.7590 20 G 3.9081 8.3488 106.2678 45.2169 0.0000 175.0519 21 E 3.5941 8.1159 117.8599 58.4030 29.0743 179.7737 22 K 3.9509 7.7175 118.5899 58.8772 32.0142 179.3105 23 V 3.4473 7.1848 117.7381 65.6076 31.4474 176.2664 24 P 2.9700 0.0000 0.0000 64.7687 30.9626 178.5372 25 A 3.8369 7.7337 118.9057 55.1306 18.3686 179.5250 26 A 3.9408 8.0722 119.5487 55.1642 18.3080 179.4532 27 E 3.9347 8.2975 117.9425 59.7289 29.8172 179.2742 28 I 3.9384 8.0498 119.9140 64.4132 36.9944 178.4918 29 T 3.6964 7.9752 117.1029 66.3578 68.1315 176.2976 30 R 4.0429 7.9294 119.7159 59.9804 30.4924 178.0957 31 A 4.1977 7.9938 119.9512 55.1052 17.8683 178.8618 32 Y 3.9506 8.0736 118.1712 60.8541 38.6818 177.7837 33 F 4.8387 8.3526 115.3001 58.3078 39.2832 176.2644 34 E 4.4513 7.9089 119.1283 57.3113 30.1910 176.1805 35 L 4.2303 7.3679 116.2614 53.3109 41.8631 175.2933 36 G 3.6500 7.9966 108.1677 46.2631 0.0000 173.6843 *38 T 4.4791 8.3261 113.9806 60.7046 70.7452 173.7536 39 F 4.8780 8.0296 123.5817 55.4345 42.0532 172.4884 40 P 3.5991 0.0000 0.0000 61.5114 32.2096 175.1939 41 E 4.3526 8.5138 118.1210 56.1288 29.8644 176.3578 42 L 4.8679 8.3714 122.0049 53.0802 45.2567 174.8176 43 Y 4.7090 9.0475 117.8634 56.2228 39.2532 176.0516 44 D 4.4387 8.6494 123.8684 54.1281 41.9402 175.3681 45 D 4.6007 8.3729 119.3484 54.9479 40.3892 176.9897 46 S 4.0750 7.6141 112.9521 60.2107 62.8523 173.2771 47 H 3.9350 7.8919 116.9075 55.1680 29.6670 173.5080 48 P 4.3679 0.0000 0.0000 65.6883 31.6986 177.3835 49 E 4.3948 7.9238 118.2883 54.7654 28.5987 175.9826 50 A 4.0893 7.4933 125.2461 56.2957 19.0541 178.3720 51 L 3.7303 8.1374 116.5930 58.0978 42.1132 178.8270 52 A 3.8732 7.9063 119.2464 55.6935 18.5850 179.5753 53 R 3.6872 7.7121 116.5427 59.2511 29.9652 178.5033 54 N 4.1041 7.8687 116.5734 56.1361 38.6045 177.3729 55 T 3.8586 8.0717 117.6241 66.6943 68.6611 176.0385 56 Q 3.8041 7.6110 120.6314 59.1179 28.9125 178.3086 57 K 3.1659 7.3629 119.7224 59.3021 32.0966 178.7373 58 I 3.5521 7.3945 119.8731 64.4683 37.0967 178.5022 59 F 4.1640 8.0006 117.2296 59.6435 38.4637 177.7346 60 R 4.0471 7.4211 117.8849 58.9181 29.9490 178.1223 61 W 4.5513 7.5307 119.1982 59.5378 28.8654 178.6480 62 V 3.6753 7.7099 117.5148 66.0716 31.1321 177.8175 63 E 4.1488 8.3181 115.5064 57.7354 29.5111 176.9929 64 K 4.5793 7.0340 118.6412 55.3756 33.8989 175.6915 65 D 4.9175 8.3630 117.6408 54.0685 42.0613 176.8942 66 T 4.1507 7.7522 114.3925 60.9722 69.3972 173.1847 67 P 4.2270 0.0000 0.0000 66.4075 30.9583 178.4025 68 D 4.3167 8.0481 117.8888 56.9333 40.9801 178.3428 69 A 3.8671 7.8493 120.9271 54.9135 18.5507 179.5293 70 V 3.2341 7.6612 116.7587 66.1186 31.6367 177.6346 71 E 3.9033 8.1117 118.8774 59.5544 29.4949 179.0993 72 K 3.4284 7.5418 117.6168 58.9958 31.9477 179.4641 73 I 3.7762 7.4900 120.1205 64.0247 36.7938 178.3889 74 Q 3.9832 7.9029 118.2067 58.9709 28.6492 178.4271 75 A 4.1656 7.7026 120.4552 54.6571 18.7219 178.7932 76 L 4.1706 7.6340 117.4308 56.5305 42.2356 178.4218 77 L 3.9631 7.5465 118.9931 58.1616 41.1335 177.4936 78 P 4.2935 0.0000 0.0000 65.6644 31.0609 178.4589 79 A 4.1504 7.9239 117.9843 54.7028 18.8531 179.4980 80 I 3.9520 7.7580 118.6862 64.7631 37.1016 178.0481 81 E 3.8708 8.3949 119.0628 59.3174 29.3744 178.4958 82 K 4.1566 7.7594 118.3286 57.5835 33.6266 177.3084 83 S 4.6461 7.6147 113.7692 56.2159 62.3510 172.5909 *85 P 3.9361 0.0000 0.0000 62.1365 33.4208 175.2049 86 P 4.1023 0.0000 0.0000 65.8684 31.1946 178.3471 87 L 3.8876 7.7243 118.2445 58.2059 41.8947 178.9175 88 L 3.8930 7.6068 117.2449 57.5396 41.6049 179.2554 89 V 3.5277 7.2813 117.3966 65.6484 31.8450 177.5376 90 A 3.9383 8.0624 120.8245 55.1861 17.9954 181.0499 91 R 3.9576 7.6513 112.8533 57.0020 30.6895 178.1803 *93 R 4.2478 8.0246 118.3032 55.7099 30.6149 177.7997 94 S 4.4479 7.6511 112.6280 61.2215 63.2141 176.2094 95 H 4.3737 7.9624 117.0636 57.7060 28.5950 175.9121 96 S 4.7144 7.3029 111.7460 58.0953 64.7128 174.0443 97 S 4.7187 8.2215 115.0777 55.4613 65.2466 174.5943 98 A 4.0891 8.7230 128.9980 55.1264 18.0516 179.2302 99 Y 4.0281 7.8121 118.2174 61.1388 38.9642 178.3027 100 F 3.8138 7.9031 117.9879 60.0746 38.9043 177.8112 101 R 3.8713 7.9208 117.8592 59.2895 29.8303 178.6559 102 E 3.8756 7.9692 118.6527 58.9469 29.4515 178.4643 103 L 3.7655 7.9149 120.9703 58.1551 42.1732 179.4213 104 V 3.6068 8.1457 119.4563 64.8846 31.4049 178.0463 105 E 3.9683 8.5094 119.6241 59.5349 29.2608 179.5369 106 T 3.9635 8.2517 116.2967 66.3040 68.3740 177.0715 107 R 3.9631 7.7046 118.4014 59.2121 29.5682 178.7278 108 E 3.9257 8.2620 119.3459 59.1717 29.4239 179.3437 109 R 3.9172 7.8774 118.6014 59.3403 30.1555 178.5490 110 L 4.1858 8.0324 118.9342 57.7912 41.5814 179.6924 111 V 3.6855 8.1192 118.5119 65.8476 31.3622 178.4178 112 R 3.9666 8.0918 118.0720 59.0895 29.9100 178.5505 113 D 4.4147 8.2056 118.5228 57.4141 40.7569 178.5158 114 A 4.2501 8.0011 121.0903 55.7884 18.3343 179.5388 115 D 4.4119 8.2955 116.7640 57.2870 40.8535 178.7219 116 D 4.3676 8.3377 119.9642 56.9229 40.6258 178.7189 117 F 4.1609 8.2042 118.6054 60.5765 38.9999 177.6651 118 V 3.6312 7.7460 117.7358 66.0110 31.3282 177.6323 119 A 4.0271 8.2099 120.5275 55.3655 17.7661 179.8744 120 V 3.4718 7.9947 116.2517 66.1576 31.4670 178.1310 121 A 4.1522 8.2916 119.7150 54.6009 18.3126 178.8571 122 I 4.2366 7.9127 111.0857 63.1791 38.3239 177.6821 123 A 3.5374 8.3459 121.2816 53.6883 18.5595 178.6783 124 G 3.7614 7.5654 102.6891 45.5068 0.0000 175.9235 125 F 4.4230 8.4938 116.5744 59.2696 38.1878 176.3018 126 N 4.4183 7.6087 118.5729 56.1690 38.5020 174.7038 127 Q 4.2054 7.7776 120.0565 56.0254 28.8789 175.4707 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 K 8.31 4.26 0.00 1.91 1.52 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.49 7.81 3 I 8.99 3.84 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.94 0.00 0.00 4 K 8.83 4.20 0.00 1.34 1.74 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.45 7.81 5 H 9.04 4.10 0.00 3.21 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.98 4.01 0.00 2.10 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 2.12 2.28 0.00 7 H 7.75 4.38 0.00 3.25 3.36 0.00 5.66 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 8 I 7.65 3.91 1.98 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 1.52 0.60 0.90 0.00 0.00 9 R 7.43 3.93 0.00 1.75 2.08 0.00 3.32 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 *11 A 7.89 4.15 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 *13 N 8.17 4.81 0.00 2.88 3.00 0.00 0.00 6.89 7.40 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 14 A 8.21 4.10 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 15 W 8.38 4.45 0.00 3.43 3.26 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 16 A 8.28 4.18 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 17 H 8.13 3.95 0.00 3.42 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.42 0.00 2.27 2.25 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 19 D 8.32 4.73 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 3.91 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 0.00 0.00 0.00 21 E 8.12 3.59 0.00 1.42 1.12 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 1.47 1.75 0.00 22 K 7.72 3.95 0.00 1.68 1.77 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.37 7.81 23 V 7.18 3.45 1.90 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 1.11 0.00 0.00 0.87 0.00 0.00 24 P 0.00 2.97 0.00 2.11 0.80 0.00 3.47 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.78 0.00 25 A 7.73 3.84 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 26 A 8.07 3.94 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 27 E 8.30 3.93 0.00 2.29 2.17 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 2.84 2.66 0.00 28 I 8.05 3.94 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.66 0.94 0.00 0.00 29 T 7.98 3.70 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 1.24 0.00 0.00 30 R 7.93 4.04 0.00 1.92 2.23 0.00 3.33 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 31 A 7.99 4.20 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 32 Y 8.07 3.95 0.00 3.11 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 4.84 0.00 3.17 3.01 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 34 E 7.91 4.45 0.00 2.31 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 0.00 2.29 2.38 0.00 35 L 7.37 4.23 0.00 1.43 1.64 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.00 3.65 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 0.00 0.00 0.00 *38 T 8.33 4.48 4.36 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 1.26 0.00 0.00 39 F 8.03 4.88 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 40 P 0.00 3.60 0.00 1.71 0.83 0.00 3.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.32 0.00 41 E 8.51 4.35 0.00 2.16 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 0.00 2.47 2.50 0.00 42 L 8.37 4.87 0.00 0.61 1.15 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.05 4.71 0.00 2.94 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 44 D 8.65 4.44 0.00 2.56 2.57 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 0.00 0.00 0.00 45 D 8.37 4.60 0.00 2.71 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 46 S 7.61 4.08 0.00 3.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.89 3.94 0.00 3.42 3.61 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.37 0.00 2.20 2.21 0.00 3.81 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 2.07 2.00 0.00 49 E 7.92 4.39 0.00 2.18 2.16 0.00 0.00 0.00 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 2.39 0.00 50 A 7.49 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.14 3.73 0.00 1.76 1.58 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.91 3.87 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 53 R 7.71 3.69 0.00 2.00 1.31 0.00 2.94 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 54 N 7.87 4.10 0.00 2.85 2.70 0.00 0.00 6.93 7.19 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 55 T 8.07 3.86 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 1.12 0.00 0.00 56 Q 7.61 3.80 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 57 K 7.36 3.17 0.00 1.57 1.34 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.57 0.21 7.81 58 I 7.39 3.55 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.23 0.55 0.00 0.00 59 F 8.00 4.16 0.00 3.04 3.05 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 60 R 7.42 4.05 0.00 1.78 1.76 0.00 3.13 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 61 W 7.53 4.55 0.00 3.60 3.01 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 62 V 7.71 3.68 2.19 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 0.85 0.00 0.00 0.75 0.00 0.00 63 E 8.32 4.15 0.00 2.21 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 2.57 2.38 0.00 64 K 7.03 4.58 0.00 1.83 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.82 7.81 65 D 8.36 4.92 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.15 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 1.28 0.00 0.00 67 P 0.00 4.23 0.00 2.28 2.31 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 68 D 8.05 4.32 0.00 2.73 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 69 A 7.85 3.87 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 70 V 7.66 3.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.70 0.00 0.00 71 E 8.11 3.90 0.00 2.18 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 2.50 2.42 0.00 72 K 7.54 3.43 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.72 1.20 7.81 73 I 7.49 3.78 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.43 0.91 0.00 0.00 74 Q 7.90 3.98 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 75 A 7.70 4.17 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 76 L 7.63 4.17 0.00 1.93 1.75 0.95 0.67 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 77 L 7.55 3.96 0.00 2.03 1.74 0.98 0.77 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 78 P 0.00 4.29 0.00 2.17 2.11 0.00 3.72 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 2.13 2.17 0.00 79 A 7.92 4.15 1.40 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 80 I 7.76 3.95 2.06 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 1.27 0.99 0.00 0.00 81 E 8.39 3.87 0.00 2.08 1.98 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 2.25 2.43 0.00 82 K 7.76 4.16 0.00 1.83 1.94 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.47 7.81 83 S 7.61 4.65 0.00 4.35 4.02 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 *85 P 0.00 3.94 0.00 1.92 1.89 0.00 2.42 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.86 0.00 86 P 0.00 4.10 0.00 2.10 2.10 0.00 3.52 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 87 L 7.72 3.89 0.00 1.65 1.59 0.90 0.63 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 88 L 7.61 3.89 0.00 1.53 1.58 0.86 0.85 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 89 V 7.28 3.53 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 0.69 0.00 0.00 0.80 0.00 0.00 90 A 8.06 3.94 1.40 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 91 R 7.65 3.96 0.00 1.90 1.95 0.00 3.17 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 1.63 1.87 0.00 *93 R 8.02 4.25 0.00 1.26 1.68 0.00 2.66 0.00 0.00 2.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 94 S 7.65 4.45 0.00 3.99 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 0.00 95 H 7.96 4.37 0.00 2.76 3.21 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.30 4.71 0.00 3.87 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 97 S 8.22 4.72 0.00 4.05 4.20 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 98 A 8.72 4.09 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 99 Y 7.81 4.03 0.00 2.78 2.68 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 0.00 100 F 7.90 3.81 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.87 0.00 2.10 1.97 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 102 E 7.97 3.88 0.00 2.18 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 2.28 2.29 0.00 103 L 7.91 3.77 0.00 1.35 1.60 0.55 0.89 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 0.00 104 V 8.15 3.61 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 0.82 0.00 0.00 0.90 0.00 0.00 105 E 8.51 3.97 0.00 2.25 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 2.31 2.33 0.00 106 T 8.25 3.96 4.31 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 1.20 0.00 0.00 107 R 7.70 3.96 0.00 2.04 2.16 0.00 2.82 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 108 E 8.26 3.93 0.00 2.19 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 2.53 2.45 0.00 109 R 7.88 3.92 0.00 2.08 1.91 0.00 3.09 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 1.66 0.00 110 L 8.03 4.19 0.00 1.90 1.72 0.93 0.71 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 0.00 111 V 8.12 3.69 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 1.09 0.00 0.00 0.96 0.00 0.00 112 R 8.09 3.97 0.00 2.03 1.95 0.00 3.18 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 1.65 1.67 0.00 113 D 8.21 4.41 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.00 4.25 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 0.00 115 D 8.30 4.41 0.00 2.85 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 0.00 116 D 8.34 4.37 0.00 2.76 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 0.00 117 F 8.20 4.16 0.00 3.40 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 0.00 118 V 7.75 3.63 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 1.06 0.00 0.00 0.99 0.00 0.00 119 A 8.21 4.03 1.40 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 0.00 120 V 7.99 3.47 2.26 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 1.01 0.00 0.00 0.94 0.00 0.00 121 A 8.29 4.15 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 0.00 122 I 7.91 4.24 2.20 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 1.56 1.02 1.05 0.00 0.00 123 A 8.35 3.54 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 0.00 124 G 7.57 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 0.00 125 F 8.49 4.42 0.00 3.00 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 0.00 126 N 7.61 4.42 0.00 2.65 2.83 0.00 0.00 6.91 7.69 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 0.00 127 Q 7.78 4.21 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.