NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3162 8.4145 122.1413 53.7445 33.3973 178.6322 8 D 4.5058 7.7921 118.9816 51.9673 41.8785 174.9555 9 G 4.2229 9.4819 115.2002 45.2463 0.0000 173.6870 10 K 4.0119 8.1635 119.3140 59.4646 31.8471 178.9110 11 Q 4.0736 8.0732 117.4979 58.9376 28.3624 177.3084 12 Y 4.0530 7.6237 122.0797 59.5961 38.5786 176.8394 13 E 3.3497 7.8256 118.7724 59.2917 30.0544 178.7640 14 S 4.1190 7.8312 114.7972 60.2591 62.6317 173.7914 15 V 4.1261 6.8237 116.5725 63.2544 33.8826 176.5764 16 L 3.8025 7.9289 120.0306 58.6846 42.1155 179.3978 17 M 3.7835 8.1871 118.1948 57.5748 31.8913 178.3134 18 V 3.4443 7.5987 119.0518 66.3722 31.7479 178.0673 19 S 3.9199 7.8922 114.3303 61.5171 62.7338 176.5294 20 I 3.6668 7.3533 121.7908 64.5938 36.7658 178.2785 21 D 4.3495 8.0872 119.6773 57.2696 40.5358 178.5873 22 Q 3.8999 7.9739 120.1259 58.8733 28.7010 178.5019 23 L 4.0080 7.5741 119.4712 57.8368 42.0451 178.9453 24 L 4.1466 7.9111 118.8596 57.8694 41.4139 179.4549 25 D 4.3514 8.4455 119.3541 57.3837 40.6505 178.8851 26 S 4.2674 7.7825 113.0084 60.6881 63.0058 175.3376 27 M 4.6981 7.7727 124.2369 55.7021 32.1450 178.4563 28 K 4.1098 8.0938 123.7887 57.5094 31.9445 181.6329 29 E 4.2556 8.1167 114.9464 57.9691 29.7357 176.6890 30 I 4.4655 7.2961 120.6224 60.2675 40.2617 172.8193 31 G 3.9241 8.6639 121.0384 46.4861 0.0000 175.9549 32 S 4.1096 9.7323 121.9480 62.1465 62.7679 178.8866 33 N 4.2611 7.3122 117.3965 55.5402 38.5624 174.7262 34 C 4.8471 7.4255 107.9727 55.4354 45.0744 176.6745 35 L 3.2047 7.4960 114.1676 54.5299 42.8375 177.5493 36 N 4.6874 9.2665 133.9996 54.0252 39.1842 173.8073 37 N 4.6104 8.7904 123.9338 51.6478 39.8474 171.2520 38 E 4.0032 8.0911 110.4697 57.8148 26.4112 179.7843 39 F 4.6387 8.3127 121.2208 57.0275 40.7172 176.5118 40 N 4.3716 9.3915 121.9492 56.8386 38.3042 177.0333 41 F 4.0719 8.6057 121.1342 61.7184 39.1781 177.0898 42 F 4.6208 7.7898 116.9265 60.1082 38.7324 178.3536 43 K 4.3246 8.0737 125.4344 61.0868 32.0043 184.5058 44 R 4.0417 8.3382 121.6883 60.4075 29.5547 178.0602 45 H 4.6989 7.7308 118.1684 55.3597 29.9922 175.4051 46 I 4.6654 7.9144 122.3041 60.1746 41.1276 176.2390 47 C 4.2233 7.8168 123.7688 55.2863 41.8462 171.6119 48 D 4.7368 7.7682 122.1133 52.1068 42.0934 176.5540 49 A 4.2855 8.8093 128.0735 55.4261 18.4264 179.1850 50 N 4.4668 8.0222 115.1103 53.9420 34.8271 175.0045 51 K 3.7395 7.9601 123.9227 54.6856 28.5647 175.7080 52 E 4.6382 8.2187 121.4404 55.7762 30.3374 177.7451 53 G 3.5768 7.9518 109.9262 48.3758 0.0000 176.0914 54 M 4.2674 7.9600 121.7233 58.6940 31.4723 183.1605 55 F 4.1670 7.9727 119.6272 62.1124 39.6569 177.4140 56 L 4.1136 7.9804 120.4609 58.0941 40.9894 179.9270 *57 F 4.0415 7.9642 120.4455 61.2166 37.8277 181.2413 58 R 4.1875 7.3775 116.2383 59.1015 30.1994 178.6848 59 A 3.9001 8.0112 118.9470 54.8833 18.3972 179.4682 60 A 4.1142 8.2240 122.0168 56.2060 18.7300 180.6801 61 R 3.9273 7.4265 119.3886 61.4660 29.4918 180.8970 62 K 4.0895 8.1062 119.2480 59.3683 31.8429 178.7650 63 L 4.2356 7.8268 118.3903 56.7674 41.3421 178.4717 64 R 4.2031 7.6056 117.0547 57.6910 30.2600 176.3730 65 Q 4.3055 8.0239 116.4074 56.7756 28.9029 176.4861 66 F 4.7790 7.9813 115.4716 57.0703 39.5241 175.8126 67 L 4.4996 7.7152 121.7523 53.2934 41.5630 178.5881 68 K 4.4176 8.4423 130.4806 56.8270 31.7816 179.9100 69 M 4.3351 8.5579 118.0099 56.4102 31.0651 173.5325 70 N 4.2382 7.9840 113.7106 54.8383 36.6598 175.3672 71 S 4.3710 7.7762 112.0469 59.1591 64.0013 174.4442 72 T 4.4975 8.2388 115.2660 62.0876 67.6744 175.6169 73 G 3.9492 7.8527 106.0687 43.8018 0.0000 174.5595 74 D 4.4174 8.6177 120.5882 56.8829 40.8582 178.9635 75 F 4.1358 8.2697 120.8869 61.4870 39.4505 176.7471 76 D 4.3684 8.2579 117.9235 57.3443 40.6326 178.4762 77 L 3.9455 7.7909 119.1040 58.3637 41.6788 179.4324 78 H 4.1325 8.2818 115.9826 58.6564 28.5336 177.8364 79 L 3.8516 7.6079 120.7635 57.6639 41.3574 179.5004 80 L 4.0452 7.9270 120.3148 57.1712 41.6184 179.6224 81 K 3.8995 8.2164 118.5365 59.6839 32.0860 179.5458 82 V 3.7474 8.3077 118.9120 66.6719 31.0206 177.1142 83 S 4.4052 8.5703 114.9050 59.7245 62.7134 175.7354 84 E 4.1176 8.8400 121.5772 58.8161 29.8332 179.8565 85 G 3.7221 8.4879 105.6720 48.3595 0.0000 175.8862 86 T 4.5180 7.8294 117.0468 66.6176 68.8013 176.7175 87 T 4.0222 8.7074 118.6503 66.9306 68.4031 176.3799 88 I 4.4431 8.3553 122.0089 63.5269 37.9257 177.4233 89 L 4.3003 8.0463 119.3730 56.6629 41.9454 178.3838 90 L 4.3922 7.9611 119.3446 58.0590 41.9145 178.5523 91 N 4.6728 8.1655 120.1867 56.5971 37.1964 177.3000 92 C 4.2023 7.6656 122.1785 62.7168 27.9073 177.3144 93 T 4.8527 7.2970 113.0742 61.8879 69.8186 178.1512 94 G 4.2756 9.1352 114.2490 44.5618 0.0000 177.6729 95 Q 3.6838 8.4728 126.6801 55.7656 29.7569 176.7700 96 V 4.1855 7.7131 121.7832 62.0691 35.7222 171.1239 97 K 4.2678 8.0386 117.0055 57.3030 35.8071 172.2602 98 G 3.7403 8.7441 105.9481 47.6568 0.0000 173.3251 *122 Q 4.2070 8.5296 123.9290 54.3981 30.5867 172.4314 123 K 4.8190 7.9171 126.5347 55.6444 30.7033 178.8113 124 K 4.6216 8.1972 125.6054 55.8713 35.8480 174.9342 125 L 4.4729 8.3477 121.4544 52.8846 44.4854 176.3026 126 N 4.7622 8.1604 117.3527 52.6474 40.9649 174.2474 127 D 4.5654 7.9721 117.3840 54.4850 41.9009 176.2950 128 L 4.3170 8.7266 128.2292 57.6721 41.7863 179.9701 129 C 4.4006 8.5765 116.5808 60.1419 37.4851 175.2694 130 F 3.5337 8.4467 121.9186 60.7006 38.8494 176.5777 131 L 3.6652 8.2346 120.1106 58.7122 42.1536 178.7206 132 K 3.9544 8.5120 119.7339 58.9791 32.0858 178.5005 133 R 4.0086 7.9661 118.7816 58.6650 30.1559 178.6666 134 L 4.1979 8.2217 120.0670 58.4128 41.9668 179.1724 135 L 4.0604 8.2007 119.1739 57.8127 41.1594 178.8661 136 Q 3.9982 8.0994 117.4706 59.2644 28.5824 178.5961 137 E 4.0199 8.4565 118.8293 60.0276 29.4943 179.6586 138 I 3.9270 8.1881 119.5042 64.4368 37.2118 178.4572 139 K 4.3056 8.4342 120.5001 60.1581 32.1811 178.6431 140 T 3.9465 8.3767 116.3649 66.8367 68.3975 175.2894 141 C 3.9007 8.6193 120.2656 60.0528 40.0027 175.5534 142 W 4.2108 7.6992 118.7110 60.4015 28.4111 178.1796 143 N 4.4802 8.0787 114.9711 55.3041 36.6064 177.1449 144 K 4.0033 7.8709 124.5642 60.1866 32.3731 179.0594 145 I 4.0366 7.9177 121.7027 64.9529 35.5118 180.2036 146 L 4.6154 7.8416 123.9243 59.1394 41.1358 181.4586 147 M 4.5744 8.9761 122.2297 54.4518 32.1822 177.4573 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 7 K 8.41 4.32 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 D 7.79 4.51 0.00 2.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.48 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 0.00 0.00 0.00 10 K 8.16 4.01 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.47 7.81 11 Q 8.07 4.07 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 12 Y 7.62 4.05 0.00 2.53 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 13 E 7.83 3.35 0.00 2.26 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 2.28 1.91 0.00 14 S 7.83 4.12 0.00 4.00 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 15 V 6.82 4.13 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 1.03 0.00 0.00 0.87 0.00 0.00 16 L 7.93 3.80 0.00 1.58 1.52 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.19 3.78 0.00 1.60 0.66 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 18 V 7.60 3.44 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 0.93 0.00 0.00 0.87 0.00 0.00 19 S 7.89 3.92 0.00 3.88 3.94 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 0.00 0.00 0.00 20 I 7.35 3.67 1.99 0.00 0.00 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 1.57 1.01 0.96 0.00 0.00 21 D 8.09 4.35 0.00 2.64 2.67 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 22 Q 7.97 3.90 0.00 2.14 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 23 L 7.57 4.01 0.00 1.76 1.58 0.68 0.51 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 24 L 7.91 4.15 0.00 1.84 1.73 0.93 0.94 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 25 D 8.45 4.35 0.00 2.98 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 26 S 7.78 4.27 0.00 4.03 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 27 M 7.77 4.70 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 28 K 8.09 4.11 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.29 7.81 29 E 8.12 4.26 0.00 1.96 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 2.32 2.28 0.00 30 I 7.30 4.47 2.06 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 1.27 0.54 0.96 0.00 0.00 31 G 8.66 3.92 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 0.00 0.00 0.00 32 S 9.73 4.11 0.00 3.66 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 33 N 7.31 4.26 0.00 2.73 2.89 0.00 0.00 6.68 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 34 C 7.43 4.85 0.00 3.20 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 35 L 7.50 3.20 0.00 1.89 1.34 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.27 4.69 0.00 2.66 2.72 0.00 0.00 6.55 7.79 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 37 N 8.79 4.61 0.00 2.75 2.66 0.00 0.00 6.96 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 38 E 8.09 4.00 0.00 2.08 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 0.00 2.14 1.88 0.00 39 F 8.31 4.64 0.00 3.57 3.42 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 40 N 9.39 4.37 0.00 2.89 3.02 0.00 0.00 6.63 8.13 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 41 F 8.61 4.07 0.00 3.14 2.78 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 0.00 0.00 0.00 42 F 7.79 4.62 0.00 3.22 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 43 K 8.07 4.32 0.00 1.86 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.06 7.81 44 R 8.34 4.04 0.00 1.87 1.76 0.00 3.23 0.00 0.00 3.22 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 45 H 7.73 4.70 0.00 2.30 3.09 0.00 5.79 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 46 I 7.91 4.67 1.84 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 1.46 0.63 0.83 0.00 0.00 47 C 7.82 4.22 0.00 1.61 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 48 D 7.77 4.74 0.00 2.66 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 49 A 8.81 4.29 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 50 N 8.02 4.47 0.00 2.76 2.66 0.00 0.00 6.58 7.44 0.00 0.00 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 K 7.96 3.74 0.00 1.91 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 0.97 7.81 52 E 8.22 4.64 0.00 2.04 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 2.20 2.20 0.00 53 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 M 7.96 4.27 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.16 0.00 55 F 7.97 4.17 0.00 3.10 3.21 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 56 L 7.98 4.11 0.00 1.38 1.36 -0.74 1.03 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 *57 F 7.96 4.04 0.00 2.32 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 58 R 7.38 4.19 0.00 1.71 2.00 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 59 A 8.01 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.22 4.11 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 61 R 7.43 3.93 0.00 1.97 1.96 0.00 3.27 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 62 K 8.11 4.09 0.00 1.47 1.72 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.76 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.12 1.39 7.81 63 L 7.83 4.24 0.00 1.87 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.61 4.20 0.00 1.88 2.04 0.00 3.25 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 65 Q 8.02 4.31 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.50 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 66 F 7.98 4.78 0.00 2.97 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 67 L 7.72 4.50 0.00 1.66 1.68 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.44 4.42 0.00 2.04 1.63 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.44 1.01 7.81 69 M 8.56 4.34 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.13 0.00 70 N 7.98 4.24 0.00 2.83 2.88 0.00 0.00 7.24 7.57 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 71 S 7.78 4.37 0.00 3.91 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 72 T 8.24 4.50 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 73 G 7.85 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 74 D 8.62 4.42 0.00 2.88 2.78 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 0.00 0.00 0.00 75 F 8.27 4.14 0.00 3.12 3.10 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 76 D 8.26 4.37 0.00 2.86 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 77 L 7.79 3.95 0.00 1.83 1.65 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.28 4.13 0.00 3.17 3.22 0.00 5.62 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 79 L 7.61 3.85 0.00 1.81 1.64 0.84 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.93 4.05 0.00 1.87 1.71 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.22 3.90 0.00 1.93 1.85 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.75 7.81 82 V 8.31 3.75 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 1.14 0.00 0.00 0.97 0.00 0.00 83 S 8.57 4.41 0.00 4.12 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 84 E 8.84 4.12 0.00 2.16 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 2.36 2.38 0.00 85 G 8.49 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 0.00 0.00 0.00 86 T 7.83 4.52 4.63 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 1.47 0.00 0.00 87 T 8.71 4.02 4.48 0.00 0.00 0.00 0.00 0.00 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 88 I 8.36 4.44 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 1.03 0.00 0.00 89 L 8.05 4.30 0.00 2.07 1.89 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.96 4.39 0.00 2.06 1.73 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.17 4.67 0.00 2.94 3.10 0.00 0.00 6.83 7.68 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 92 C 7.67 4.20 0.00 2.88 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 93 T 7.30 4.85 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 94 G 9.14 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 0.00 0.00 0.00 0.00 95 Q 8.47 3.68 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.43 1.98 0.00 96 V 7.71 4.19 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 0.68 0.00 0.00 0.93 0.00 0.00 97 K 8.04 4.27 0.00 1.70 1.48 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.15 0.89 7.81 98 G 8.74 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 0.00 0.00 0.00 *122 Q 8.53 4.21 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.92 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 123 K 7.92 4.82 0.00 1.63 1.17 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.34 7.81 124 K 8.20 4.62 0.00 1.56 1.49 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.33 7.81 125 L 8.35 4.47 0.00 0.27 0.58 0.34 0.04 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 0.00 126 N 8.16 4.76 0.00 2.52 2.72 0.00 0.00 6.99 8.47 0.00 0.00 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 D 7.97 4.57 0.00 2.93 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 0.00 128 L 8.73 4.32 0.00 1.83 1.80 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 129 C 8.58 4.40 0.00 3.27 3.36 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 0.00 130 F 8.45 3.53 0.00 2.88 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 0.00 131 L 8.23 3.67 0.00 1.21 1.86 0.13 0.75 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 0.00 132 K 8.51 3.95 0.00 2.00 1.89 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 133 R 7.97 4.01 0.00 1.67 1.27 0.00 3.09 0.00 0.00 2.96 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 134 L 8.22 4.20 0.00 1.58 1.74 0.92 0.71 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 0.00 135 L 8.20 4.06 0.00 1.82 1.70 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.10 4.00 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 137 E 8.46 4.02 0.00 2.50 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 0.00 2.61 2.73 0.00 138 I 8.19 3.93 2.17 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 1.18 0.00 0.00 139 K 8.43 4.31 0.00 2.04 2.13 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.66 7.81 140 T 8.38 3.95 4.32 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 1.16 0.00 0.00 141 C 8.62 3.90 0.00 2.89 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 0.00 142 W 7.70 4.21 0.00 3.44 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 0.00 0.00 0.00 143 N 8.08 4.48 0.00 3.11 3.17 0.00 0.00 6.77 7.08 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 0.00 144 K 7.87 4.00 0.00 2.06 1.98 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.32 7.81 145 I 7.92 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 1.38 0.80 1.07 0.00 0.00 146 L 7.84 4.62 0.00 1.76 1.60 0.92 0.83 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 0.00 147 M 8.98 4.57 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.