NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4402 8.3044 120.3280 54.6233 34.4853 175.3939 4 S 4.0717 7.7879 115.0164 57.7039 63.3950 173.0413 5 D 4.3782 9.6520 128.6705 57.5938 41.6035 178.6620 6 L 4.0320 7.8345 119.0037 57.7489 41.4051 179.5197 7 V 3.7095 7.9763 118.2409 66.2129 31.4479 178.1735 8 T 3.9320 7.7982 114.9560 66.7521 68.1820 176.6531 9 K 4.0398 8.0515 119.7662 59.1337 32.4680 178.3350 10 F 4.4134 8.6122 120.9582 60.5923 38.8566 176.3522 11 E 3.9985 7.7396 116.6800 57.8780 29.5989 178.0979 12 S 4.1540 7.9631 113.5391 60.4787 62.7731 175.4168 13 L 4.2987 7.3435 120.3063 57.1039 44.1749 179.6045 14 I 2.4792 7.1980 116.9697 62.3533 33.4993 173.6411 15 I 3.0488 7.6904 121.7007 61.9282 36.2448 174.0146 *18 Y 3.9250 8.2500 118.5686 57.0361 39.6796 173.5553 19 P 4.4133 0.0000 0.0000 62.7972 31.7062 177.7046 20 V 3.6574 8.4746 119.9533 64.6266 31.2804 177.0173 21 S 4.4557 8.0326 112.7163 58.3518 63.4384 173.8725 22 F 4.2617 8.4251 125.7096 58.6860 39.5776 175.3876 23 T 4.4449 7.7451 118.4373 60.3749 71.7952 175.9141 24 K 3.9766 8.3148 120.2328 59.4024 31.9133 179.4695 25 E 3.9044 8.0329 118.4514 59.5439 29.4057 179.2105 26 Q 3.7687 7.6906 117.9116 58.8134 28.6052 178.7968 27 S 4.4288 7.9639 113.9802 61.5665 62.4665 176.0990 28 A 4.0335 8.2290 123.5244 55.3508 18.1258 179.6530 29 Q 4.1323 8.4919 116.6407 58.9741 28.6784 178.8151 30 A 4.2220 8.5254 121.8901 55.2418 18.5104 179.5523 31 A 4.0181 8.3518 119.3467 55.3855 18.4242 179.9510 32 Q 3.8445 8.1415 116.6109 58.9448 28.7943 179.0348 33 W 4.2321 8.2057 120.0099 59.6407 28.9857 178.2303 34 E 4.0976 8.7474 119.9666 59.2388 29.1357 179.0922 35 S 4.1206 8.1482 114.4631 61.2422 63.1683 176.3331 36 V 3.5359 7.7344 121.9879 65.8825 31.1411 178.1004 37 L 4.0831 8.0848 118.5206 57.7905 41.4000 179.7136 38 K 4.1109 8.2318 117.1604 59.4452 32.5607 178.2868 39 S 4.5539 7.9400 114.2840 57.7729 63.0795 174.4938 40 G 3.9831 7.8493 109.5450 46.7109 0.0000 174.0472 41 Q 4.6497 8.0118 116.3307 55.4080 29.3615 177.2383 42 I 3.9489 8.0764 120.5968 64.4117 38.5014 177.2607 43 Q 3.9933 8.4550 121.1327 58.8989 28.6550 176.5946 44 P 4.4868 0.0000 0.0000 64.6127 31.5913 176.6864 45 H 4.7891 8.4711 116.7853 55.9229 28.8564 176.4753 46 L 4.0912 8.1228 123.7189 58.0718 41.5750 179.0788 47 D 4.5589 8.2398 118.4036 57.3808 40.7127 178.4942 48 Q 4.0429 8.1530 119.7014 59.0504 29.2118 177.7580 49 L 4.0133 8.5289 121.7326 58.2928 42.2582 178.4717 50 N 4.3765 8.7409 117.4222 56.5760 38.6232 176.6333 51 L 4.0033 7.6632 120.9002 57.8619 42.3577 178.7041 52 V 3.7401 8.1004 118.5300 66.1086 31.3350 178.0061 53 L 4.2244 7.6735 118.0108 56.2887 41.4369 178.9623 54 R 3.7029 7.4655 118.3886 58.9320 30.1209 176.7791 55 D 4.7124 7.5379 115.0043 54.1846 41.7537 176.1347 56 N 4.9288 7.5678 116.9025 51.3808 42.2830 174.9285 57 T 3.5246 8.7275 120.2538 66.0257 68.7631 173.8948 58 F 5.1751 7.3517 117.1593 55.1426 42.8615 176.0802 59 I 3.5041 9.4499 123.1294 63.9361 36.7547 177.7529 60 V 4.3319 7.7026 118.0327 62.5777 31.6737 175.0018 61 S 3.7535 7.8794 111.2764 59.3693 60.6161 172.3858 62 T 4.6294 7.9940 108.4748 60.2218 70.7802 174.2051 63 L 4.4525 8.3106 120.3620 55.8523 42.2496 176.7251 64 Y 5.0603 7.5545 115.1180 54.7840 41.5156 173.4119 65 P 3.8615 0.0000 0.0000 63.2125 31.6984 176.0977 66 T 4.4568 8.6094 111.1243 59.7243 72.5066 175.5404 67 S 4.1357 8.2545 115.1464 61.8036 62.6721 176.5386 68 T 3.8510 7.4837 118.1590 66.7642 68.1973 176.2199 69 D 4.7257 8.1055 120.2884 57.2056 40.8346 178.9474 70 V 3.6505 7.5951 118.9203 66.4042 31.1931 177.7681 71 H 4.1537 8.5496 116.0689 58.9808 28.4815 178.0753 72 V 3.5833 8.0951 119.9787 65.9788 31.3980 177.7098 73 F 4.2191 8.6774 120.4872 61.5680 38.8971 176.9286 74 E 3.7660 8.3996 117.2940 58.7914 29.5259 178.6948 75 V 3.9539 7.2302 117.1802 64.6422 32.0266 177.9102 76 A 3.9665 8.2856 121.0095 55.1438 18.2249 178.7358 77 L 3.8192 7.5996 118.9303 58.1510 41.9344 177.3302 78 P 4.1426 0.0000 0.0000 65.8366 31.0055 178.0326 79 L 3.8935 7.6963 119.3687 57.9705 42.0492 179.0597 80 I 3.5935 8.3721 120.5121 64.3036 37.0688 178.3371 81 K 3.9171 8.2402 119.5869 59.7528 31.7999 178.7991 82 D 4.3233 8.2380 117.9902 57.1985 41.0117 178.3038 83 L 3.9735 8.1606 119.7401 57.9172 41.4708 179.5889 84 V 3.5539 8.0571 116.9650 65.9148 31.4486 177.6561 85 A 4.1709 7.9990 119.9034 54.7475 18.3595 178.8563 86 S 4.5243 7.9040 109.8218 57.5379 63.8205 174.4457 87 S 4.2790 7.0803 117.3065 58.6055 62.6446 174.4148 88 K 4.1479 8.4950 124.9849 58.5231 32.7170 177.5879 89 D 4.4368 8.0015 118.2883 52.1999 44.4985 175.8549 90 V 3.4004 8.3215 127.1258 65.7597 31.6967 177.6842 91 K 3.9350 7.8978 118.9695 59.6618 32.1453 178.8106 92 S 4.1316 8.2113 115.1753 61.5929 62.6265 176.8028 93 T 3.8606 7.6865 118.1474 66.9834 68.0705 176.1153 94 Y 4.6149 7.9444 117.5144 61.9363 38.0042 178.9906 95 T 4.1048 8.0422 115.2164 66.5378 68.6236 176.7483 96 T 3.9684 7.5050 116.6143 65.0206 68.9762 174.3876 97 Y 5.1498 7.6087 118.8658 56.8988 39.2732 177.9857 98 R 3.9507 8.2664 120.9157 59.7875 30.3575 177.8329 99 H 4.4831 8.5229 115.6290 58.3972 28.9733 177.6481 100 I 3.9131 8.1859 121.2051 64.5535 36.8560 178.2890 101 L 4.0580 8.1700 119.7479 57.6135 41.4438 179.1498 102 R 3.9366 8.1258 118.7935 59.5788 29.9931 178.3643 103 W 4.2704 8.3130 127.4175 60.4456 30.6313 178.0435 104 I 3.6468 8.8553 120.3017 64.2583 36.4284 177.6793 105 D 4.3149 8.4170 119.1514 57.5686 40.9597 177.6445 106 Y 3.8568 7.9346 119.6846 61.1314 38.7582 178.0843 107 M 3.6458 8.2903 120.0119 58.1844 31.7598 178.8649 108 Q 3.9289 8.0655 118.0461 58.9776 28.9409 178.3864 109 N 4.1747 7.7321 118.5847 55.8822 38.3878 176.9624 110 L 3.6208 7.3354 120.8914 58.2373 42.1269 177.8084 111 L 4.1835 7.7723 115.0949 54.0223 41.5314 176.8087 112 E 3.7012 7.6166 116.9539 56.6350 27.5864 175.7146 113 V 3.6803 7.7406 117.1241 62.7850 32.5588 175.6167 114 S 4.1788 8.5749 120.7343 58.5181 63.4082 174.5814 115 S 4.6801 8.5665 119.1620 56.7817 59.6303 173.4811 116 T 4.8329 7.5402 130.6662 64.9152 68.9599 174.3166 117 D 4.4555 7.9377 119.7716 56.6478 41.0918 177.4270 118 K 4.1570 7.9286 117.9358 56.5488 32.6389 175.6208 119 L 4.4431 9.3698 125.8064 53.8960 43.1203 176.8778 120 E 4.0316 9.0895 124.2703 57.0151 29.8940 175.7405 121 I 3.7726 8.2284 121.5096 59.8555 36.3932 169.9522 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 M 8.30 4.44 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 4 S 7.79 4.07 0.00 3.94 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 5 D 9.65 4.38 0.00 2.74 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 6 L 7.83 4.03 0.00 1.69 1.71 0.91 0.85 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 7 V 7.98 3.71 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 1.11 0.00 0.00 0.95 0.00 0.00 8 T 7.80 3.93 4.44 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 1.23 0.00 0.00 9 K 8.05 4.04 0.00 1.76 2.06 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.55 7.81 10 F 8.61 4.41 0.00 3.20 3.32 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 11 E 7.74 4.00 0.00 2.21 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 0.00 2.19 2.23 0.00 12 S 7.96 4.15 0.00 4.01 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 13 L 7.34 4.30 0.00 1.56 1.68 0.98 0.70 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 14 I 7.20 2.48 1.52 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.81 0.00 0.00 15 I 7.69 3.05 1.88 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 1.45 0.50 0.93 0.00 0.00 *18 Y 8.25 3.93 0.00 2.71 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 19 P 0.00 4.41 0.00 2.32 2.25 0.00 3.29 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 2.36 2.09 0.00 20 V 8.47 3.66 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 0.81 0.00 0.00 0.97 0.00 0.00 21 S 8.03 4.46 0.00 4.05 4.06 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 0.00 0.00 0.00 22 F 8.43 4.26 0.00 3.20 3.14 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 23 T 7.75 4.44 4.17 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 1.16 0.00 0.00 24 K 8.31 3.98 0.00 1.81 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.54 7.81 25 E 8.03 3.90 0.00 1.93 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 2.37 2.37 0.00 26 Q 7.69 3.77 0.00 1.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 27 S 7.96 4.43 0.00 4.19 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 28 A 8.23 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.49 4.13 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 30 A 8.53 4.22 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.35 4.02 1.44 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 0.00 0.00 32 Q 8.14 3.84 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 33 W 8.21 4.23 0.00 3.60 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 34 E 8.75 4.10 0.00 2.11 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 2.37 2.39 0.00 35 S 8.15 4.12 0.00 4.12 4.11 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 36 V 7.73 3.54 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.52 0.00 0.00 37 L 8.08 4.08 0.00 2.05 1.79 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.23 4.11 0.00 1.90 1.99 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.88 7.81 39 S 7.94 4.55 0.00 4.16 3.96 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 0.00 0.00 0.00 40 G 7.85 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 0.00 0.00 0.00 41 Q 8.01 4.65 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 42 I 8.08 3.95 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.73 0.96 0.00 0.00 43 Q 8.45 3.99 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 44 P 0.00 4.49 0.00 2.16 2.16 0.00 3.81 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 2.16 2.00 0.00 45 H 8.47 4.79 0.00 3.50 3.52 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.12 4.09 0.00 1.87 1.80 0.67 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.24 4.56 0.00 2.75 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 48 Q 8.15 4.04 0.00 2.18 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 49 L 8.53 4.01 0.00 1.89 1.87 -0.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.74 4.38 0.00 3.13 3.07 0.00 0.00 6.89 6.30 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 51 L 7.66 4.00 0.00 1.85 1.89 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.10 3.74 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 0.95 0.00 0.00 1.15 0.00 0.00 53 L 7.67 4.22 0.00 1.62 1.60 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.47 3.70 0.00 1.66 1.98 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.00 55 D 7.54 4.71 0.00 2.60 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 56 N 7.57 4.93 0.00 2.73 2.74 0.00 0.00 7.11 7.05 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 57 T 8.73 3.52 3.77 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 0.15 0.00 0.00 58 F 7.35 5.18 0.00 3.16 3.32 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 59 I 9.45 3.50 1.69 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.29 0.23 0.00 0.00 60 V 7.70 4.33 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 0.91 0.00 0.00 1.05 0.00 0.00 61 S 7.88 3.75 0.00 4.06 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 62 T 7.99 4.63 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 1.50 0.00 0.00 63 L 8.31 4.45 0.00 1.48 1.60 0.85 0.74 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 64 Y 7.55 5.06 0.00 2.82 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 65 P 0.00 3.86 0.00 1.90 1.55 0.00 3.45 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 66 T 8.61 4.46 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 1.17 0.00 0.00 67 S 8.25 4.14 0.00 4.06 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 68 T 7.48 3.85 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 1.24 0.00 0.00 69 D 8.11 4.73 0.00 2.90 2.99 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 0.00 0.00 0.00 70 V 7.60 3.65 2.31 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 1.15 0.00 0.00 0.95 0.00 0.00 71 H 8.55 4.15 0.00 3.28 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.10 3.58 2.24 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 0.91 0.00 0.00 0.91 0.00 0.00 73 F 8.68 4.22 0.00 2.84 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 74 E 8.40 3.77 0.00 2.27 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 2.33 2.47 0.00 75 V 7.23 3.95 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 1.05 0.00 0.00 1.02 0.00 0.00 76 A 8.29 3.97 1.56 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 0.00 0.00 77 L 7.60 3.82 0.00 0.84 1.13 0.86 0.53 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 78 P 0.00 4.14 0.00 2.25 2.24 0.00 3.58 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 79 L 7.70 3.89 0.00 1.97 1.83 0.96 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 80 I 8.37 3.59 1.86 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.67 0.96 0.00 0.00 81 K 8.24 3.92 0.00 2.01 1.87 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.57 7.81 82 D 8.24 4.32 0.00 2.86 2.86 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 83 L 8.16 3.97 0.00 1.88 1.77 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.06 3.55 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 0.76 0.00 0.00 1.11 0.00 0.00 85 A 8.00 4.17 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 86 S 7.90 4.52 0.00 4.02 3.97 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 87 S 7.08 4.28 0.00 3.96 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 88 K 8.49 4.15 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.36 7.81 89 D 8.00 4.44 0.00 2.74 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 90 V 8.32 3.40 1.89 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 0.39 0.00 0.00 0.81 0.00 0.00 91 K 7.90 3.94 0.00 1.86 1.78 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.59 7.81 92 S 8.21 4.13 0.00 4.08 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 93 T 7.69 3.86 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 1.48 0.00 0.00 94 Y 7.94 4.61 0.00 3.01 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 95 T 8.04 4.10 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 1.20 0.00 0.00 96 T 7.51 3.97 3.78 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 0.58 0.00 0.00 97 Y 7.61 5.15 0.00 3.17 2.94 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 98 R 8.27 3.95 0.00 1.53 1.88 0.00 3.26 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 99 H 8.52 4.48 0.00 3.41 3.43 0.00 5.63 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 0.00 100 I 8.19 3.91 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 1.62 0.87 1.16 0.00 0.00 101 L 8.17 4.06 0.00 1.91 1.68 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.13 3.94 0.00 1.95 2.22 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 103 W 8.31 4.27 0.00 3.39 3.45 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 0.00 0.00 0.00 0.00 104 I 8.86 3.65 2.07 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 1.60 1.02 1.05 0.00 0.00 105 D 8.42 4.31 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 0.00 106 Y 7.93 3.86 0.00 3.19 3.08 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 0.00 0.00 0.00 107 M 8.29 3.65 0.00 0.51 0.74 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.95 0.00 108 Q 8.07 3.93 0.00 2.40 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 109 N 7.73 4.17 0.00 2.72 2.70 0.00 0.00 6.52 7.60 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 0.00 110 L 7.34 3.62 0.00 1.10 1.58 0.76 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 0.00 111 L 7.77 4.18 0.00 1.60 1.60 0.74 1.18 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 0.00 112 E 7.62 3.70 0.00 2.03 1.92 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 2.21 2.31 0.00 113 V 7.74 3.68 2.24 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 0.83 0.00 0.00 1.10 0.00 0.00 114 S 8.57 4.18 0.00 4.03 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 0.00 115 S 8.57 4.68 0.00 3.84 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 0.00 116 T 7.54 4.83 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 0.00 117 D 7.94 4.46 0.00 2.78 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 0.00 118 K 7.93 4.16 0.00 1.74 1.78 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.66 7.81 119 L 9.37 4.44 0.00 1.59 1.58 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.09 4.03 0.00 2.03 1.76 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 2.23 1.88 0.00 121 I 8.23 3.77 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 1.27 0.87 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.