NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4774 8.3049 120.3503 55.4287 33.4159 174.4494 2 L 4.6738 7.9549 122.4410 52.3198 45.9569 175.0078 3 K 4.1341 8.2902 120.6501 57.5497 33.6043 178.3450 4 T 3.5095 8.5871 109.6310 62.0484 68.0889 171.6268 5 I 4.4471 7.1419 122.8957 59.0030 39.7831 175.3437 6 S 4.0659 8.7308 119.0430 58.3764 62.3483 172.9889 7 P 4.5683 0.0000 0.0000 64.1057 31.3229 176.9980 8 L 4.1063 7.6623 118.5441 56.3440 41.8648 176.7560 9 I 4.2482 7.3164 120.2168 59.6119 37.5636 176.5372 10 S 4.3585 8.4348 121.0888 57.4995 64.9676 173.0709 11 P 4.2422 0.0000 0.0000 66.0740 31.0307 178.5854 12 E 3.9660 8.1479 117.4038 59.1775 29.6377 178.4608 13 L 3.9609 7.7109 119.4946 57.7885 42.1169 178.4959 14 L 3.9486 8.0833 120.5034 58.0648 41.9084 178.9275 15 K 3.8952 8.0454 119.3214 59.4980 32.3162 178.6687 16 V 3.7685 8.0206 118.5926 66.2351 31.2435 177.6346 17 L 4.0337 8.2745 117.1545 58.1504 41.6144 179.3134 18 A 4.1280 7.8047 119.0998 55.1583 18.3959 179.3320 19 E 4.0362 8.3435 116.3733 58.3809 29.9328 177.8951 20 M 3.6019 7.0931 118.4445 55.0098 32.6692 175.7081 21 G 4.1030 8.8988 111.5027 43.1377 0.0000 171.5010 22 H 4.4505 8.5284 118.5853 58.0073 29.7660 175.3793 23 G 3.9390 9.2589 116.2745 45.2048 0.0000 173.4444 24 D 4.6428 7.9731 119.9346 54.5065 42.1646 175.2310 25 E 5.3215 8.8697 120.5253 54.6878 32.9905 174.7501 26 I 5.0486 8.7219 122.7048 59.3116 41.9269 173.7269 27 I 4.8774 8.1474 128.4313 59.5801 40.1814 174.6438 28 F 4.8112 9.2444 126.2373 55.9254 40.5825 175.1878 29 S 4.9570 8.7914 119.8368 56.7257 65.6311 173.6301 30 D 5.1857 8.9779 121.1337 52.4464 40.8937 176.9983 31 A 4.2667 9.0900 120.6797 53.8752 18.2557 178.0137 32 H 4.7046 8.0800 111.7552 55.6825 29.5527 175.5392 33 F 4.3448 7.9005 123.2633 57.5127 40.1423 173.8188 34 P 4.4177 0.0000 0.0000 61.6042 30.4542 176.9916 35 A 4.2492 7.9843 124.4858 56.6151 18.9202 179.9265 36 H 4.3146 8.1734 110.9039 57.8766 28.9133 176.1944 37 S 4.6148 7.3967 112.1565 58.2992 63.3497 175.2289 38 M 4.1083 7.7476 122.4705 59.1262 32.0752 176.5799 39 G 3.4604 8.4519 109.9275 45.0838 0.0000 172.3128 40 P 4.5811 0.0000 0.0000 61.5424 32.4431 175.6996 41 Q 4.1182 8.5478 118.5541 56.6521 29.5521 175.2301 42 V 4.8945 8.3270 121.3299 61.2641 34.2059 174.5865 43 I 4.6358 8.6223 127.4092 59.5687 40.4331 174.8419 44 R 4.8338 8.7224 125.6184 54.8027 31.4909 176.6035 45 A 4.7692 8.7187 125.6461 50.8257 19.3585 177.5819 46 D 4.4086 8.4780 122.6399 57.7959 41.3250 178.7621 47 G 4.0490 8.0251 105.0796 44.9618 0.0000 172.8193 48 L 4.9489 7.8427 119.5210 52.5894 45.0695 175.6782 49 L 4.8548 9.0026 120.4749 53.2022 43.7381 178.2352 50 V 3.4935 8.3685 120.7952 66.3386 31.4730 178.6666 51 S 3.9205 8.1232 113.2536 61.5069 62.4830 176.3035 52 D 4.2669 8.0149 122.3907 57.3494 40.6428 178.6991 53 L 3.9154 7.6427 118.9459 57.4227 41.6294 179.1690 54 L 3.4690 7.5787 119.1452 57.9665 41.3899 179.5937 55 Q 4.0366 7.6014 116.8820 58.7783 28.9819 177.6080 56 A 4.1182 7.4525 121.0454 54.7076 18.7638 178.9871 57 I 4.0165 8.1302 118.1349 63.1785 37.2092 177.9441 58 I 3.7374 7.7988 120.5737 63.4903 37.8208 175.5422 59 P 4.2810 0.0000 0.0000 64.1115 31.5407 176.5365 60 L 4.3454 8.1658 118.8286 55.1288 42.9528 175.9721 61 F 4.5037 7.5468 120.5573 56.1031 39.4984 174.4720 62 E 4.1744 8.1438 130.4073 55.9503 30.5272 175.7044 63 L 4.8172 8.4902 126.9359 54.1302 42.8792 176.2878 64 D 4.6983 8.8200 123.1219 54.6665 41.4549 176.2125 65 S 4.7033 9.0514 117.7874 58.6153 64.4236 174.2275 66 Y 4.1961 9.0474 118.1017 58.6914 38.0573 174.6767 67 A 4.4357 7.4986 120.4331 50.3296 21.8171 173.9616 68 P 4.2911 0.0000 0.0000 62.6163 31.4615 175.1395 69 P 4.5758 0.0000 0.0000 64.6512 33.0868 176.0090 70 L 5.3150 8.0023 120.2963 52.7950 45.2118 175.7472 71 V 5.0337 8.9132 123.1716 61.5285 35.2156 174.1274 72 M 5.3712 9.3171 126.2007 53.6867 36.4915 173.7007 73 M 4.8106 8.2554 119.1729 54.5887 33.4323 175.1657 74 A 4.3355 8.6989 128.0776 50.6352 19.9858 177.2780 75 A 2.5800 7.8296 124.3476 51.4011 19.2924 178.1915 76 V 3.7779 8.2170 115.6851 60.4624 32.3567 175.9602 77 E 4.0659 8.5037 121.4425 58.1561 29.6071 177.0658 78 G 3.9791 9.4641 111.5907 45.0927 0.0000 171.6817 79 D 4.9993 7.6632 116.9823 52.3347 44.5138 174.6368 80 T 4.6142 8.3831 117.9637 61.4838 70.7284 173.7988 81 L 4.8059 8.2440 126.2435 53.1045 45.1983 174.7525 82 D 4.8182 8.2466 121.9760 51.7220 42.5768 175.3104 83 P 4.2267 0.0000 0.0000 65.6648 31.9423 178.6433 84 E 3.9787 7.8481 115.3074 59.0093 29.2670 179.1535 85 V 3.2922 7.8122 118.4998 66.2474 31.6190 177.8682 86 E 3.6424 7.7855 117.9583 58.7320 29.4154 178.6832 87 R 3.8445 7.3238 118.5306 59.4100 30.2115 178.6960 88 R 4.1039 8.0330 115.5206 58.9162 29.4817 178.3663 89 Y 4.2038 7.8919 117.5808 61.2200 37.6634 178.4852 90 R 3.9635 7.7683 117.3321 59.3818 30.3588 178.6246 91 N 4.4796 8.1801 116.0133 56.3131 38.3421 177.3797 92 A 4.0138 8.4241 121.4328 54.9097 18.5777 178.9910 93 L 4.4285 7.9408 115.1078 55.1282 42.1566 178.0036 94 S 5.1266 7.3169 117.0661 57.1103 63.2494 173.6925 95 L 4.0443 8.2311 127.3793 57.0279 42.5510 179.2466 *97 A 5.0050 8.1760 119.7844 51.6217 20.2580 175.1800 98 P 4.6872 0.0000 0.0000 62.8480 32.0110 175.1097 99 C 4.8238 8.1425 113.7332 55.4172 31.8761 171.9228 100 P 4.3788 0.0000 0.0000 62.6464 31.5350 175.9481 101 D 4.5703 8.4217 119.0802 54.6984 41.3506 175.8348 102 I 4.7195 8.1187 121.7673 59.7969 39.3046 175.0943 103 I 4.5855 8.4187 126.9905 59.6026 40.0547 174.6418 104 R 5.3053 8.5791 124.7763 54.6080 31.9061 175.5976 105 I 4.7988 8.5020 116.6137 58.4595 41.3508 174.8833 106 N 4.5955 8.7980 120.9397 52.7019 38.1887 176.1083 107 R 3.5652 8.4207 118.6145 59.7835 29.2227 178.8378 108 F 4.5556 7.2794 117.9026 60.1198 38.9980 177.3752 109 A 4.0926 8.7024 120.6414 55.0550 18.1048 179.5405 110 F 3.8987 8.2679 119.3015 61.5050 39.5006 177.0429 111 Y 4.6859 8.1589 116.4499 61.3856 37.5399 177.9402 112 E 4.0214 8.4530 119.0747 59.6237 29.9520 178.5496 113 R 4.0932 7.9118 117.4093 58.6169 30.1259 178.1630 114 A 4.0801 8.1556 120.7831 54.9286 18.1522 179.4790 115 Q 4.3477 8.1585 117.1985 57.4486 28.7873 177.8062 116 K 4.4901 7.3770 116.3835 54.9904 32.9857 176.2152 117 A 4.2966 6.9431 122.4476 51.7525 19.0621 177.8803 118 F 4.2369 9.1665 123.0165 61.3164 40.2158 174.9452 119 A 4.6856 7.6866 117.4223 51.3672 22.7915 175.1079 120 I 4.8016 8.7027 119.5732 59.6088 41.3969 174.9991 121 V 4.5278 8.9205 127.8747 61.1699 33.2907 174.0824 122 I 4.7640 8.6733 130.0533 59.7370 39.4210 175.1191 123 T 4.7323 8.5939 121.2565 60.2651 71.9280 175.0285 124 G 4.1363 8.8350 109.1734 46.2528 0.0000 174.2524 125 E 4.0589 8.1565 121.4891 57.0910 29.8049 177.8819 126 R 4.2877 8.5817 123.3549 57.3759 31.0634 176.5474 127 A 4.1261 7.9518 119.8584 51.9926 18.8392 177.2348 128 K 3.9333 8.4875 120.8645 57.7132 33.0938 176.5695 129 Y 3.4777 7.7568 117.8156 59.4215 35.1558 171.2136 130 G 4.1104 8.7692 104.5890 45.4241 0.0000 173.3929 131 N 4.6984 7.7710 117.5111 53.0034 39.2343 174.4467 132 I 5.0153 8.7757 122.4813 59.3494 42.3195 173.1821 133 L 5.2686 9.4627 130.5408 53.3029 44.8700 174.8054 134 L 5.4351 8.9797 125.5490 52.8342 45.1221 175.0772 135 K 5.1386 9.0298 124.6586 54.5128 34.6771 174.9887 136 K 4.0747 9.1069 129.3078 56.2680 33.3501 176.4385 137 G 4.0740 8.3774 115.5560 45.4978 0.0000 173.9996 138 V 3.8652 8.1754 122.4945 61.2164 30.5559 176.3417 139 T 3.7668 8.1931 123.8085 63.1039 68.6353 172.8477 140 P 4.3944 0.0000 0.0000 62.9585 31.5111 176.1354 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 1 M 8.30 4.48 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 L 7.95 4.67 0.00 1.69 1.49 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.29 4.13 0.00 1.82 1.72 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.43 7.81 4 T 8.59 3.51 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 5 I 7.14 4.45 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 1.19 0.86 0.92 0.00 0.00 6 S 8.73 4.07 0.00 3.84 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 7 P 0.00 4.57 0.00 2.22 2.15 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 8 L 7.66 4.11 0.00 1.70 1.76 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.32 4.25 1.89 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 1.38 0.52 0.96 0.00 0.00 10 S 8.43 4.36 0.00 4.06 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 11 P 0.00 4.24 0.00 2.19 2.17 0.00 3.61 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 2.13 2.17 0.00 12 E 8.15 3.97 0.00 2.09 1.96 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 2.39 2.45 0.00 13 L 7.71 3.96 0.00 1.86 1.85 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.08 3.95 0.00 2.13 1.71 0.95 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.05 3.90 0.00 1.91 2.04 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.49 7.81 16 V 8.02 3.77 2.29 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 1.18 0.00 0.00 1.12 0.00 0.00 17 L 8.27 4.03 0.00 1.84 1.87 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.80 4.13 1.39 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 0.00 0.00 19 E 8.34 4.04 0.00 2.20 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 0.00 2.42 2.70 0.00 20 M 7.09 3.60 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.24 0.00 21 G 8.90 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 22 H 8.53 4.45 0.00 2.95 3.12 0.00 5.75 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 23 G 9.26 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 0.00 0.00 0.00 24 D 7.97 4.64 0.00 2.64 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 25 E 8.87 5.32 0.00 1.92 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 2.33 2.46 0.00 26 I 8.72 5.05 1.88 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 0.69 1.72 0.84 0.00 0.00 27 I 8.15 4.88 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.89 0.00 0.00 28 F 9.24 4.81 0.00 2.87 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 29 S 8.79 4.96 0.00 3.71 3.47 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 0.00 0.00 0.00 0.00 30 D 8.98 5.19 0.00 3.10 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 31 A 9.09 4.27 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 32 H 8.08 4.70 0.00 3.27 3.35 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 33 F 7.90 4.34 0.00 3.06 3.03 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 0.00 0.00 0.00 34 P 0.00 4.42 0.00 1.86 1.89 0.00 2.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.12 0.00 35 A 7.98 4.25 1.45 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 0.00 0.00 36 H 8.17 4.31 0.00 3.15 3.36 0.00 5.69 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 37 S 7.40 4.61 0.00 3.88 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 38 M 7.75 4.11 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.80 0.00 39 G 8.45 3.46 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 0.00 40 P 0.00 4.58 0.00 2.06 2.29 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 41 Q 8.55 4.12 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 42 V 8.33 4.89 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 0.74 0.00 0.00 0.90 0.00 0.00 43 I 8.62 4.64 1.83 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 1.23 0.67 0.91 0.00 0.00 44 R 8.72 4.83 0.00 1.71 2.05 0.00 3.38 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 45 A 8.72 4.77 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 46 D 8.48 4.41 0.00 2.69 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 47 G 8.03 4.05 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 0.00 0.00 0.00 48 L 7.84 4.95 0.00 1.82 1.54 0.94 0.61 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 49 L 9.00 4.85 0.00 1.93 1.60 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.37 3.49 1.91 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 0.34 0.00 0.00 1.01 0.00 0.00 51 S 8.12 3.92 0.00 4.11 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 0.00 52 D 8.01 4.27 0.00 2.88 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 53 L 7.64 3.92 0.00 1.49 1.38 1.24 0.72 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 54 L 7.58 3.47 0.00 1.65 1.49 0.24 0.34 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 55 Q 7.60 4.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 56 A 7.45 4.12 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 57 I 8.13 4.02 1.77 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 0.53 0.81 0.00 0.00 58 I 7.80 3.74 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.24 0.89 0.00 0.00 59 P 0.00 4.28 0.00 2.22 2.16 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 60 L 8.17 4.35 0.00 1.87 1.82 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.55 4.50 0.00 2.96 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 62 E 8.14 4.17 0.00 2.04 1.60 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 2.48 2.34 0.00 63 L 8.49 4.82 0.00 1.63 1.67 0.99 1.36 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 64 D 8.82 4.70 0.00 2.93 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 65 S 9.05 4.70 0.00 3.95 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 66 Y 9.05 4.20 0.00 3.10 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 67 A 7.50 4.44 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 68 P 0.00 4.29 0.00 2.09 2.09 0.00 3.72 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 2.06 2.11 0.00 69 P 0.00 4.58 0.00 2.20 2.60 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 70 L 8.00 5.31 0.00 1.63 1.64 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.91 5.03 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 1.10 0.00 0.00 0.98 0.00 0.00 72 M 9.32 5.37 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 73 M 8.26 4.81 0.00 1.89 1.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 74 A 8.70 4.34 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 0.00 0.00 0.00 0.00 0.00 75 A 7.83 2.58 0.63 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 0.00 0.00 76 V 8.22 3.78 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 0.89 0.00 0.00 1.02 0.00 0.00 77 E 8.50 4.07 0.00 2.07 1.96 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 2.29 2.33 0.00 78 G 9.46 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 79 D 7.66 5.00 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 80 T 8.38 4.61 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 1.22 0.00 0.00 81 L 8.24 4.81 0.00 1.34 1.38 0.69 1.08 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 D 8.25 4.82 0.00 2.76 2.47 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 0.00 0.00 0.00 0.00 83 P 0.00 4.23 0.00 2.18 2.04 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 84 E 7.85 3.98 0.00 2.22 1.96 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 2.30 2.44 0.00 85 V 7.81 3.29 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 0.29 0.00 0.00 0.97 0.00 0.00 86 E 7.79 3.64 0.00 1.92 1.81 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 2.34 2.34 0.00 87 R 7.32 3.84 0.00 2.05 2.01 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 88 R 8.03 4.10 0.00 2.16 2.19 0.00 2.90 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 89 Y 7.89 4.20 0.00 3.16 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 90 R 7.77 3.96 0.00 2.04 2.02 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 91 N 8.18 4.48 0.00 2.92 2.87 0.00 0.00 6.93 7.48 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 92 A 8.42 4.01 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 93 L 7.94 4.43 0.00 1.69 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.32 5.13 0.00 3.92 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 95 L 8.23 4.04 0.00 1.71 1.70 0.93 0.85 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 *97 A 8.18 5.01 1.32 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 0.00 0.00 98 P 0.00 4.69 0.00 2.19 2.07 0.00 3.73 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 1.99 1.96 0.00 99 C 8.14 4.82 0.00 3.09 3.09 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 0.00 100 P 0.00 4.38 0.00 2.09 2.08 0.00 3.72 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 2.07 2.15 0.00 101 D 8.42 4.57 0.00 2.66 2.61 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 0.00 102 I 8.12 4.72 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.98 0.00 0.00 103 I 8.42 4.59 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 1.25 0.79 0.93 0.00 0.00 104 R 8.58 5.31 0.00 1.65 1.80 0.00 3.27 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 105 I 8.50 4.80 1.93 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 1.64 1.52 0.96 0.00 0.00 106 N 8.80 4.60 0.00 2.83 2.96 0.00 0.00 5.72 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 0.00 107 R 8.42 3.57 0.00 1.63 2.04 0.00 2.78 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.59 0.00 108 F 7.28 4.56 0.00 3.30 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 0.00 109 A 8.70 4.09 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 0.00 110 F 8.27 3.90 0.00 3.16 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 0.00 111 Y 8.16 4.69 0.00 3.44 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.45 4.02 0.00 2.17 2.34 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 2.38 2.40 0.00 113 R 7.91 4.09 0.00 1.94 1.77 0.00 3.10 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 114 A 8.16 4.08 1.71 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 0.00 0.00 115 Q 8.16 4.35 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 116 K 7.38 4.49 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.43 7.81 117 A 6.94 4.30 1.30 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 0.00 118 F 9.17 4.24 0.00 3.10 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 0.00 119 A 7.69 4.69 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 0.00 120 I 8.70 4.80 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.97 0.00 0.00 121 V 8.92 4.53 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 1.01 0.00 0.00 0.48 0.00 0.00 122 I 8.67 4.76 1.93 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 0.95 2.80 0.92 0.00 0.00 123 T 8.59 4.73 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 1.30 0.00 0.00 124 G 8.83 4.14 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 0.00 0.00 0.00 125 E 8.16 4.06 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 126 R 8.58 4.29 0.00 1.78 1.97 0.00 3.28 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 127 A 7.95 4.13 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 0.00 128 K 8.49 3.93 0.00 1.84 1.73 0.00 2.04 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.39 7.81 129 Y 7.76 3.48 0.00 3.02 2.90 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 0.00 130 G 8.77 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 0.00 0.00 0.00 131 N 7.77 4.70 0.00 1.93 2.16 0.00 0.00 6.72 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 0.00 132 I 8.78 5.02 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.03 0.86 0.00 0.00 133 L 9.46 5.27 0.00 1.69 1.69 0.74 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.98 5.44 0.00 1.53 1.55 0.92 0.49 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 0.00 135 K 9.03 5.14 0.00 1.89 1.73 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.49 7.81 136 K 9.11 4.07 0.00 1.59 1.61 0.00 1.32 0.00 0.00 1.60 0.00 0.00 2.58 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.99 0.27 7.81 137 G 8.38 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.18 3.87 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 0.75 0.00 0.00 0.50 0.00 0.00 139 T 8.19 3.77 4.16 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 1.15 0.00 0.00 140 P 0.00 4.39 0.00 2.16 2.01 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.