NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1501 8.1127 120.8618 56.7874 29.9162 176.2016 3 V 3.1474 8.2804 123.5552 61.7202 31.7589 172.8016 4 K 4.0044 9.8209 120.2613 59.9935 33.3689 176.7938 5 M 3.4867 7.0837 116.6162 53.3869 31.5919 175.9085 6 H 4.6837 8.4304 117.1569 56.0536 30.7864 174.4454 7 V 4.2300 8.5086 124.0751 62.8583 31.3677 175.9543 8 K 4.7089 7.3679 116.1821 55.3475 35.4833 175.6673 9 K 4.0626 7.9687 120.4071 57.0296 35.1883 177.5114 10 G 4.2960 8.4828 99.7525 43.2723 0.0000 172.9160 11 D 4.5890 7.8487 134.6359 53.7429 47.2725 177.2867 12 T 5.0816 8.8743 113.4518 61.8305 71.7305 172.5541 13 V 4.8428 8.5063 117.7247 60.0150 36.3623 173.8468 14 L 4.9925 8.9984 121.4348 53.9524 45.9489 175.7384 15 V 4.8862 8.2297 122.5911 60.8705 34.6069 175.3257 16 A 4.9289 8.4187 127.2097 51.4108 19.7973 178.5980 17 S 4.5939 8.2560 115.5169 59.2159 64.0015 172.5670 18 G 3.6731 8.9547 107.1489 45.3826 0.0000 174.2181 19 K 3.8191 9.1493 126.8023 59.0231 32.2968 175.4267 20 Y 4.5915 8.0177 116.0690 56.6736 38.7759 174.8272 21 K 4.4066 7.8598 120.6203 56.8171 33.5806 175.3045 22 G 4.1040 9.1355 115.0096 45.6414 0.0000 174.1815 23 R 4.0751 7.1879 116.5769 56.6159 30.7535 175.6069 24 V 4.6426 8.0251 118.1877 60.9494 34.9228 174.7188 25 G 3.9544 7.4242 111.9527 45.1848 0.0000 173.3248 26 K 4.9262 7.7209 119.2000 55.1524 33.7573 175.1018 27 V 3.6098 7.8621 116.4474 63.0508 31.8943 176.3965 28 K 4.3290 7.8847 123.9248 56.2472 33.2552 176.8726 29 E 3.6511 8.0246 117.1707 57.1774 26.5866 175.2451 30 V 3.7076 7.3155 118.8647 63.1483 33.8128 174.3774 31 L 3.9590 8.6115 126.6259 55.5176 39.4760 176.1687 32 P 4.9959 0.0000 0.0000 62.4586 32.5064 177.3549 33 K 4.2900 8.4125 118.6762 59.6854 32.1945 177.8315 34 K 4.4765 7.6333 115.8603 55.0030 34.2269 175.2853 35 Y 3.4270 9.3950 119.7058 58.4677 37.5908 169.0929 36 A 4.8653 7.1751 121.2084 50.6959 23.9439 175.6647 37 V 4.5610 8.1500 113.9111 61.0562 32.0635 175.2565 38 I 4.3310 7.6522 123.6653 59.3566 46.1871 175.6325 39 V 4.3594 6.7698 127.9717 63.9542 31.0996 170.8467 40 E 4.7797 8.0764 122.5878 55.6291 30.6700 178.1406 41 G 3.6704 7.6970 107.4576 47.8520 0.0000 176.4511 42 V 2.7562 8.6332 119.8455 63.6508 33.7267 174.5968 43 N 4.5791 8.8692 121.5034 52.3696 40.5546 177.2058 44 I 3.4685 9.3629 122.2449 62.3062 36.8630 173.3429 45 V 4.1704 7.9543 123.2171 62.9444 33.4787 175.9539 46 K 4.6244 7.5604 125.1110 55.0563 34.7583 178.5385 47 K 4.6923 9.0303 128.4429 57.9058 35.5663 174.1262 48 A 3.9949 7.5698 121.2858 52.5164 18.5561 176.8221 49 V 4.1076 8.1203 111.6180 63.0974 35.9195 173.3122 50 R 3.9083 7.8519 115.2712 55.9864 28.6712 175.7168 51 V 3.9620 7.8614 115.3805 62.9657 31.5946 174.5779 52 S 4.0847 8.2764 112.1962 59.6994 62.4732 173.3928 53 P 4.2757 0.0000 0.0000 66.7742 27.9548 176.9278 54 K 3.6441 7.8025 117.8666 56.9724 32.2102 175.1439 55 Y 3.4040 8.5485 123.3810 58.0247 36.7363 170.2664 56 P 4.0285 0.0000 0.0000 61.8233 33.3703 175.1301 57 Q 4.2561 8.0916 127.5907 56.8977 29.2265 176.8910 58 G 4.0231 8.4369 105.8969 45.7651 0.0000 172.5625 59 G 4.0155 8.1920 108.4482 44.9359 0.0000 174.5184 60 F 5.7100 8.5866 119.8530 56.6024 41.5601 177.1788 61 I 3.3868 8.1613 119.9397 62.4771 37.3503 176.4656 62 E 3.3213 7.3624 116.0881 57.5409 28.8719 174.3182 63 K 4.6353 7.9414 119.6936 54.6355 34.3797 175.0222 64 E 4.0036 8.0275 119.4699 54.1600 31.2135 176.8334 65 A 4.5046 8.0412 121.6753 51.8656 21.8187 173.1200 66 P 3.3017 0.0000 0.0000 61.8969 33.9555 175.7805 67 L 3.7353 9.6476 135.0000 55.7673 42.4564 172.2236 68 H 4.3094 8.8864 124.5069 55.5609 29.6137 173.4837 69 A 4.5495 8.0697 118.7929 51.7346 20.0689 177.0289 70 S 4.5229 8.4551 109.6222 60.3455 63.3642 175.2417 71 K 4.2357 8.2978 119.7602 58.7659 32.8166 177.5486 72 V 5.0131 7.6955 111.0952 60.1478 34.4015 175.4702 73 R 4.8216 9.1683 120.1789 54.0861 35.3143 174.1691 74 P 4.7571 0.0000 0.0000 63.4809 33.8402 174.4113 75 I 4.5241 7.4488 117.9230 61.1853 40.1942 172.6217 76 C 4.6010 8.5280 127.0216 58.4282 35.1629 172.3391 77 P 3.9520 0.0000 0.0000 62.1557 28.2358 174.2709 78 A 4.3233 6.3590 121.8895 52.5630 23.8865 175.4308 79 C 4.8534 8.1442 114.5710 59.1095 35.7115 176.2865 80 G 4.0415 9.2084 113.8602 45.8105 0.0000 173.7082 81 K 4.1885 8.8596 126.8864 55.2862 31.2708 174.4269 82 P 4.4017 0.0000 0.0000 63.2559 31.4662 174.1771 83 T 4.7167 7.7094 108.8783 61.1248 71.6434 173.7242 84 R 4.3330 7.9652 114.7093 55.6578 35.3373 174.7228 85 V 4.2404 8.6431 124.9216 61.7513 31.9433 175.0238 86 R 4.6138 8.4160 128.8216 54.2816 32.5655 179.8388 87 K 4.3362 8.7031 121.3628 56.6630 34.0248 178.0552 88 K 4.1301 10.7800 120.1092 55.3718 30.1509 175.6529 89 F 3.7535 8.5637 116.3036 57.7730 36.4428 174.9079 90 L 4.7307 7.3812 119.8369 56.2803 49.0478 175.3640 91 E 4.8207 7.8682 122.9537 54.6889 31.1137 174.7972 92 N 5.2103 8.2141 121.9160 51.7156 42.3505 174.9187 93 G 4.2894 8.8533 112.5072 43.9034 0.0000 171.8910 94 K 4.6464 8.9072 124.8339 57.6556 33.8396 175.7040 95 K 4.8901 10.7800 123.2934 54.7119 36.1037 175.6215 96 I 4.1614 7.8961 125.7479 60.2950 38.9491 177.0316 97 R 4.0833 8.3259 123.6027 55.6630 28.0363 175.5361 98 V 3.6508 9.6257 122.2527 62.3835 30.3404 170.3015 99 C 4.5317 7.5362 114.7442 59.4289 31.2617 172.3036 100 A 4.6135 8.4169 121.6291 52.6145 21.4461 175.9135 101 K 3.7379 8.1842 125.4187 56.4278 33.0959 176.1588 *102 C 4.3630 8.4109 116.4327 57.9854 28.5244 173.1823 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 4.15 0.00 1.83 1.92 0.00 3.45 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.28 3.15 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 0.88 0.00 0.00 0.93 0.00 0.00 4 K 9.82 4.00 0.00 1.85 1.95 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.42 7.81 5 M 7.08 3.49 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 6 H 8.43 4.68 0.00 3.24 3.48 0.00 5.51 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.51 4.23 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 0.86 0.00 0.00 1.00 0.00 0.00 8 K 7.37 4.71 0.00 1.56 1.57 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.43 7.81 9 K 7.97 4.06 0.00 1.86 1.67 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.51 7.81 10 G 8.48 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 0.00 0.00 0.00 0.00 11 D 7.85 4.59 0.00 2.75 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 0.00 0.00 0.00 0.00 12 T 8.87 5.08 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 13 V 8.51 4.84 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 0.76 0.00 0.00 0.94 0.00 0.00 14 L 9.00 4.99 0.00 1.66 1.59 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.23 4.89 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 1.14 0.00 0.00 0.95 0.00 0.00 16 A 8.42 4.93 1.25 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 0.00 0.00 0.00 17 S 8.26 4.59 0.00 4.04 3.81 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 0.00 0.00 0.00 18 G 8.95 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.15 3.82 0.00 1.82 2.19 0.00 2.09 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.48 7.81 20 Y 8.02 4.59 0.00 3.08 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 21 K 7.86 4.41 0.00 1.90 1.84 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.49 7.81 22 G 9.14 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 23 R 7.19 4.08 0.00 2.13 1.97 0.00 3.30 0.00 0.00 3.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 24 V 8.03 4.64 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 0.91 0.00 0.00 1.00 0.00 0.00 25 G 7.42 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 0.00 0.00 0.00 26 K 7.72 4.93 0.00 1.80 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.38 7.81 27 V 7.86 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 0.90 0.00 0.00 0.94 0.00 0.00 28 K 7.88 4.33 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.46 7.81 29 E 8.02 3.65 0.00 2.00 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 2.23 2.32 0.00 30 V 7.32 3.71 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 0.75 0.00 0.00 0.82 0.00 0.00 31 L 8.61 3.96 0.00 1.78 1.50 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.00 0.00 2.14 2.25 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 33 K 8.41 4.29 0.00 1.78 1.93 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.48 7.81 34 K 7.63 4.48 0.00 1.71 1.79 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81 35 Y 9.39 3.43 0.00 3.12 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 36 A 7.18 4.87 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 37 V 8.15 4.56 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 0.60 0.00 0.00 1.01 0.00 0.00 38 I 7.65 4.33 1.98 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 1.31 0.85 0.87 0.00 0.00 39 V 6.77 4.36 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 1.11 0.00 0.00 0.91 0.00 0.00 40 E 8.08 4.78 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 41 G 7.70 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.63 2.76 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 0.89 0.00 0.00 0.77 0.00 0.00 43 N 8.87 4.58 0.00 2.64 2.27 0.00 0.00 7.19 7.45 0.00 0.00 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 I 9.36 3.47 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 1.33 0.34 0.93 0.00 0.00 45 V 7.95 4.17 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 0.94 0.00 0.00 0.96 0.00 0.00 46 K 7.56 4.62 0.00 1.75 0.95 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.44 7.81 47 K 9.03 4.69 0.00 1.91 2.02 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.46 7.81 48 A 7.57 3.99 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 49 V 8.12 4.11 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 0.91 0.00 0.00 0.99 0.00 0.00 50 R 7.85 3.91 0.00 1.95 2.17 0.00 3.47 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 51 V 7.86 3.96 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 0.78 0.00 0.00 0.88 0.00 0.00 52 S 8.28 4.08 0.00 4.09 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 53 P 0.00 4.28 0.00 2.09 2.18 0.00 3.71 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 1.99 2.33 0.00 54 K 7.80 3.64 0.00 1.50 1.20 0.00 1.76 0.00 0.00 1.37 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.89 1.16 7.81 55 Y 8.55 3.40 0.00 3.07 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 56 P 0.00 4.03 0.00 2.33 2.29 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 57 Q 8.09 4.26 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.47 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 58 G 8.44 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 0.00 0.00 0.00 59 G 8.19 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 0.00 0.00 0.00 60 F 8.59 5.71 0.00 3.18 2.98 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 61 I 8.16 3.39 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.94 0.00 0.00 62 E 7.36 3.32 0.00 2.04 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 0.00 2.32 2.31 0.00 63 K 7.94 4.64 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 64 E 8.03 4.00 0.00 1.80 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 2.28 2.39 0.00 65 A 8.04 4.50 1.17 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 0.00 0.00 66 P 0.00 3.30 0.00 1.96 1.64 0.00 3.67 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 2.01 2.13 0.00 67 L 9.65 3.74 0.00 1.82 1.80 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.89 4.31 0.00 3.18 3.33 0.00 5.54 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 69 A 8.07 4.55 0.60 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 0.00 0.00 70 S 8.46 4.52 0.00 4.05 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 71 K 8.30 4.24 0.00 1.80 1.88 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.57 7.81 72 V 7.70 5.01 2.18 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 0.70 0.00 0.00 0.90 0.00 0.00 73 R 9.17 4.82 0.00 1.67 1.76 0.00 3.14 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 74 P 0.00 4.76 0.00 2.11 2.21 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 75 I 7.45 4.52 1.93 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 1.28 1.08 0.91 0.00 0.00 76 C 8.53 4.60 0.00 2.90 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 77 P 0.00 3.95 0.00 2.16 2.36 0.00 3.88 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 1.97 2.07 0.00 78 A 6.36 4.32 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 79 C 8.14 4.85 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.21 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 0.00 0.00 0.00 81 K 8.86 4.19 0.00 1.95 1.95 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.66 7.81 82 P 0.00 4.40 0.00 2.04 2.07 0.00 3.64 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 2.04 2.10 0.00 83 T 7.71 4.72 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 1.22 0.00 0.00 84 R 7.97 4.33 0.00 2.08 1.82 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 85 V 8.64 4.24 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 0.85 0.00 0.00 0.94 0.00 0.00 86 R 8.42 4.61 0.00 1.98 1.92 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 87 K 8.70 4.34 0.00 1.98 1.34 0.00 1.61 0.00 0.00 2.09 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.56 7.81 88 K 10.78 4.13 0.00 2.11 2.25 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 89 F 8.56 3.75 0.00 3.04 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 90 L 7.38 4.73 0.00 1.83 1.72 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.87 4.82 0.00 1.95 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 2.20 2.26 0.00 92 N 8.21 5.21 0.00 2.66 2.64 0.00 0.00 7.04 7.98 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 93 G 8.85 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 0.00 0.00 0.00 0.00 94 K 8.91 4.65 0.00 1.85 1.98 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.46 7.81 95 K 10.78 4.89 0.00 1.82 1.64 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.38 7.81 96 I 7.90 4.16 1.86 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 1.12 0.67 0.91 0.00 0.00 97 R 8.33 4.08 0.00 1.75 1.87 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 98 V 9.63 3.65 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 0.81 0.00 0.00 0.93 0.00 0.00 99 C 7.54 4.53 0.00 2.97 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 0.00 100 A 8.42 4.61 1.20 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 0.00 0.00 101 K 8.18 3.74 0.00 1.94 1.83 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.37 7.81 *102 C 8.41 4.36 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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.