NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4466 8.1749 115.2538 62.4203 68.3989 173.8511 -4 E 5.2988 8.7262 123.9386 55.8305 31.9503 173.5898 -3 F 4.8218 9.0315 122.9546 56.2455 42.1769 174.0676 -2 K 4.0427 7.8394 127.1111 53.9267 33.7997 176.2665 -1 A 3.6842 7.8962 126.5208 52.2459 19.4624 176.4760 -4 G 4.9088 8.6362 112.5386 44.3305 0.0000 171.8898 -3 S 4.6718 9.0415 118.3546 56.8455 66.3770 172.8676 -2 A 4.0427 7.7894 130.5110 50.2267 19.7997 177.4665 -1 K 3.6842 7.9462 123.1208 55.9459 33.4624 175.2760 5 K 4.1654 8.1197 119.6365 59.4251 32.2022 178.7972 6 G 3.7440 8.1329 105.3622 47.7889 0.0000 175.3230 7 A 2.5800 7.5937 122.7086 54.5814 18.4282 179.5345 8 T 3.8774 7.6458 107.2390 64.0621 68.4403 177.0100 9 L 3.9147 7.5074 122.1070 57.6543 41.7166 178.6149 10 F 3.7898 7.8932 120.4480 61.2973 39.0487 177.0079 11 K 3.8790 8.1072 117.1127 59.9385 32.0521 178.9743 12 T 4.1292 7.8627 107.7925 63.4196 69.1487 176.0861 13 R 4.4965 9.0363 118.8550 56.0765 32.0383 176.2869 14 C 4.3396 7.7005 114.6049 59.0644 30.4271 175.8524 15 L 4.0530 7.2790 120.6159 57.8591 41.8163 177.5404 16 Q 4.0662 8.0215 118.5194 58.5497 29.0884 176.5764 17 C 4.7284 7.8970 112.3158 59.5432 30.1088 172.8639 18 H 5.2556 8.1505 115.9262 54.0340 32.4360 172.6286 19 T 4.8614 8.3875 110.8624 60.2493 71.0802 175.0613 20 V 4.2154 8.1054 114.0351 60.9830 33.5730 176.1422 21 E 4.1640 7.7974 118.3892 54.9352 30.5103 175.8497 22 K 3.7249 8.1025 121.7010 58.6578 32.0375 177.0021 23 G 3.9045 8.9371 115.1416 45.0836 0.0000 173.0945 24 G 3.7564 7.8239 108.8699 44.5138 0.0000 171.9017 25 P 4.6341 0.0000 0.0000 61.5466 32.9751 175.2104 26 H 4.8775 8.3233 115.7986 55.4001 30.5654 175.6819 27 K 4.6633 8.3543 123.4591 55.8238 32.4909 178.2843 28 V 3.7228 9.0226 125.3725 66.6377 31.4772 175.9765 29 G 4.0332 8.1685 106.7881 43.5606 0.0000 171.3094 30 P 4.4499 0.0000 0.0000 61.5421 32.5177 175.4908 31 N 4.6410 9.1352 119.2681 53.9113 39.5093 174.5071 32 L 4.4279 8.7913 124.1647 54.4769 42.2552 175.9501 33 H 4.0719 8.4567 120.3129 57.4760 29.9606 175.0681 34 G 3.9113 8.3522 115.1801 46.7257 0.0000 174.8432 35 I 3.8030 7.4408 122.5280 63.0503 38.2717 176.2185 36 F 4.4962 7.9599 118.7691 58.4689 39.1721 175.6003 37 G 3.9386 9.1793 112.8564 45.7109 0.0000 173.0323 38 R 4.6363 7.5866 120.0726 54.7993 32.2391 175.4181 39 H 5.4528 8.8696 122.2197 54.6016 29.9437 175.2490 40 S 4.2276 8.0264 115.1472 58.7191 64.0508 173.6310 41 G 2.3666 8.0241 106.8315 46.5606 0.0000 174.3339 42 Q 4.4977 7.7559 115.7641 54.8704 30.1759 176.0714 43 A 4.2787 8.0936 122.1770 51.9161 18.9874 177.2555 44 E 4.3530 8.7873 120.4719 56.8682 30.8125 176.4309 45 G 3.9224 8.9061 108.1219 46.8406 0.0000 172.4921 46 Y 4.4538 7.9180 119.0979 55.2635 41.2294 175.6057 47 S 4.2459 7.2837 122.0459 57.3299 60.9835 172.9748 48 Y 4.6442 8.0410 124.0810 56.7024 38.7295 175.3961 49 T 4.3711 8.4119 111.1975 61.2498 70.2122 175.5666 50 D 4.3810 8.7750 121.5229 57.4187 40.6575 178.3248 51 A 3.9304 8.1701 120.7247 55.8873 18.0345 179.4788 52 I 3.6678 7.8462 115.5034 63.8662 38.2156 177.9898 53 I 3.6719 7.3725 119.7282 64.4557 36.7848 178.4967 54 K 3.8876 7.7246 117.8821 59.2065 31.7156 178.7804 55 K 3.7550 7.7644 119.8104 57.8741 31.7153 176.8845 56 N 4.5457 7.5796 114.3522 53.8314 38.1508 173.7995 57 V 3.3455 6.5786 115.0370 62.7573 32.6035 174.3598 58 L 4.2998 8.0143 129.3775 53.1565 43.0667 175.8204 59 W 4.7636 8.9594 128.4412 56.9696 29.9689 175.2193 60 D 5.5533 8.8194 123.8334 50.5011 42.7006 176.2597 61 E 3.8298 9.0069 116.4352 59.6595 28.8353 178.8035 62 N 4.5134 8.2837 116.6759 55.7282 38.8702 177.1273 63 N 4.4442 8.4510 117.9334 56.4979 38.7021 176.9857 64 M 4.1116 8.3886 119.7326 58.9277 32.2972 178.1060 65 S 4.1042 7.8854 113.1242 61.4729 61.9984 175.8146 66 E 3.9350 7.8552 120.6652 58.9753 29.0963 178.5523 67 F 4.2672 7.8329 120.0764 61.3570 39.7998 176.9795 68 L 3.9626 8.1872 118.5522 57.5750 41.1663 179.4860 69 T 4.2317 7.4035 117.0673 64.5169 68.6162 173.7181 70 N 4.6136 7.5700 119.6001 52.5608 40.6036 173.2052 71 P 4.3604 0.0000 0.0000 63.1202 30.8908 178.5438 *73 K 4.2718 8.0918 121.3715 56.7197 33.7235 176.3957 74 Y 4.4463 8.3995 118.6575 60.1629 39.2032 175.7069 75 I 4.5568 8.1671 120.4374 58.1326 38.0350 171.7413 76 P 4.5719 0.0000 0.0000 63.7704 32.0376 176.1547 77 G 4.1510 9.1392 110.3869 46.1372 0.0000 174.3844 78 T 4.0438 7.7548 113.9991 62.3146 67.6703 173.8578 79 K 4.3325 8.6226 125.4968 57.1665 33.4822 176.4942 80 M 4.0965 8.1399 120.8999 56.2483 32.3829 176.5282 81 A 4.5591 8.4325 130.8805 50.4097 17.8283 174.0976 82 F 4.8585 7.9957 120.7940 55.8408 42.6480 174.9684 83 G 3.3431 8.1782 117.4195 47.5433 0.0000 173.1402 84 G 3.8252 5.8913 104.0572 44.7017 0.0000 173.4968 85 L 4.5230 8.7027 120.5223 52.7074 41.5465 177.9267 86 K 4.0823 8.4431 124.3104 58.4287 32.7026 178.7179 87 K 4.3753 7.8342 118.9210 55.1518 33.9084 177.1987 88 E 4.0014 8.8041 124.7351 59.0761 29.6139 179.0122 89 K 3.9328 8.0357 118.4247 60.2956 32.5741 178.6597 90 D 4.3729 8.0832 119.8823 57.0569 40.7419 178.9079 91 R 4.0528 8.0866 118.5311 59.2174 29.9605 178.9226 92 N 4.7990 8.9988 116.7363 56.5460 38.5607 176.9089 93 D 4.4362 8.4201 120.4220 57.4982 40.9486 178.4577 94 L 4.1076 8.0918 120.4673 58.7170 42.0235 179.3611 95 I 3.8159 8.3753 119.8379 64.4979 36.4310 178.4918 96 T 3.9919 8.5033 117.2792 66.7219 68.2016 176.0215 97 Y 4.0183 8.1821 121.4020 60.6378 38.8173 177.9770 98 L 3.6653 8.1689 119.9910 57.5204 41.5383 179.0445 99 K 2.9740 7.6467 118.4684 59.5257 32.0311 178.4136 100 K 3.9847 7.4455 117.0922 59.2540 31.9074 179.3334 101 A 3.9213 7.4623 120.2230 54.5614 18.5436 178.8062 102 T 4.0640 7.9326 106.6353 61.9449 69.0567 174.7507 103 E 4.0207 7.4944 126.7865 56.6639 29.6614 175.9547 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 -5 T 8.17 4.45 4.51 0.00 0.00 0.00 0.00 0.00 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 -4 E 8.73 5.30 0.00 2.09 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 2.24 2.36 0.00 -3 F 9.03 4.82 0.00 3.05 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 -2 K 7.84 4.04 0.00 1.55 1.47 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.27 7.81 -1 A 7.90 3.68 1.18 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 0.00 0.00 -4 G 8.64 4.91 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 -3 S 9.04 4.67 0.00 3.80 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 -2 A 7.79 4.04 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 -1 K 7.95 3.68 0.00 1.57 1.48 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.35 7.81 5 K 8.12 4.17 0.00 1.87 1.96 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.58 7.81 6 G 8.13 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 7 A 7.59 2.58 1.07 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 8 T 7.65 3.88 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 1.17 0.00 0.00 9 L 7.51 3.91 0.00 1.96 1.76 0.94 0.85 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 10 F 7.89 3.79 0.00 3.14 3.07 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 11 K 8.11 3.88 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.66 7.81 12 T 7.86 4.13 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 1.22 0.00 0.00 13 R 9.04 4.50 0.00 1.61 2.02 0.00 3.37 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 14 C 7.70 4.34 0.00 1.23 2.27 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 15 L 7.28 4.05 0.00 1.61 1.82 1.21 0.74 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 16 Q 8.02 4.07 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 17 C 7.90 4.73 0.00 2.85 2.84 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 18 H 8.15 5.26 0.00 3.39 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.39 4.86 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 1.27 0.00 0.00 20 V 8.11 4.22 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.73 0.00 0.00 21 E 7.80 4.16 0.00 2.07 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 2.43 2.22 0.00 22 K 8.10 3.72 0.00 1.07 1.59 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.32 7.81 23 G 8.94 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 0.00 0.00 0.00 24 G 7.82 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 25 P 0.00 4.63 0.00 2.20 2.06 0.00 3.77 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 1.96 1.99 0.00 26 H 8.32 4.88 0.00 3.26 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.35 4.66 0.00 1.84 1.19 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 V 9.02 3.72 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 0.79 0.00 0.00 0.94 0.00 0.00 29 G 8.17 4.03 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 0.00 0.00 0.00 30 P 0.00 4.45 0.00 1.76 0.83 0.00 3.62 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.90 0.00 31 N 9.14 4.64 0.00 3.00 2.75 0.00 0.00 6.93 7.78 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 32 L 8.79 4.43 0.00 1.62 1.48 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.46 4.07 0.00 3.31 3.23 0.00 6.06 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 34 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 35 I 7.44 3.80 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.92 0.34 0.00 0.00 36 F 7.96 4.50 0.00 3.07 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 37 G 9.18 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 38 R 7.59 4.64 0.00 1.95 2.07 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 39 H 8.87 5.45 0.00 2.93 3.06 0.00 6.00 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.03 4.23 0.00 3.82 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 41 G 8.02 2.37 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 0.00 42 Q 7.76 4.50 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 43 A 8.09 4.28 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 44 E 8.79 4.35 0.00 2.17 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 2.32 2.36 0.00 45 G 8.91 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 46 Y 7.92 4.45 0.00 2.41 2.36 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 47 S 7.28 4.25 0.00 3.68 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 48 Y 8.04 4.64 0.00 3.10 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 49 T 8.41 4.37 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 1.33 0.00 0.00 50 D 8.77 4.38 0.00 2.76 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 51 A 8.17 3.93 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 52 I 7.85 3.67 2.00 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 1.46 0.83 1.12 0.00 0.00 53 I 7.37 3.67 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.86 0.00 0.00 54 K 7.72 3.89 0.00 1.69 1.82 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.63 7.81 55 K 7.76 3.76 0.00 1.82 1.91 0.00 1.42 0.00 0.00 1.32 0.00 0.00 2.23 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.21 1.22 7.81 56 N 7.58 4.55 0.00 2.81 2.69 0.00 0.00 7.18 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 57 V 6.58 3.35 1.49 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 -0.34 0.00 0.00 0.54 0.00 0.00 58 L 8.01 4.30 0.00 1.45 1.42 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.96 4.76 0.00 3.33 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 60 D 8.82 5.55 0.00 2.83 2.84 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 61 E 9.01 3.83 0.00 1.17 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 62 N 8.28 4.51 0.00 2.99 2.97 0.00 0.00 7.18 6.92 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 63 N 8.45 4.44 0.00 3.21 3.17 0.00 0.00 6.59 7.65 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 64 M 8.39 4.11 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 65 S 7.89 4.10 0.00 4.07 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 66 E 7.86 3.93 0.00 2.03 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 2.35 2.36 0.00 67 F 7.83 4.27 0.00 2.91 3.25 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 68 L 8.19 3.96 0.00 1.74 1.74 0.90 0.39 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 69 T 7.40 4.23 4.39 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 1.22 0.00 0.00 70 N 7.57 4.61 0.00 2.71 2.71 0.00 0.00 7.30 7.59 0.00 0.00 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 P 0.00 4.36 0.00 2.19 1.43 0.00 3.73 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 2.18 1.84 0.00 *73 K 8.09 4.27 0.00 1.92 2.19 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.58 7.81 74 Y 8.40 4.45 0.00 3.28 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 75 I 8.17 4.56 2.06 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 1.10 0.95 0.91 0.00 0.00 76 P 0.00 4.57 0.00 2.05 2.02 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 77 G 9.14 4.15 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 0.00 78 T 7.75 4.04 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 1.57 0.00 0.00 79 K 8.62 4.33 0.00 1.97 1.97 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.56 7.81 80 M 8.14 4.10 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 81 A 8.43 4.56 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 82 F 8.00 4.86 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.18 3.34 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 0.00 84 G 5.89 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 0.00 0.00 0.00 85 L 8.70 4.52 0.00 1.77 1.69 1.03 0.99 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 86 K 8.44 4.08 0.00 1.72 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.36 7.81 87 K 7.83 4.38 0.00 1.98 1.74 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 88 E 8.80 4.00 0.00 2.06 1.97 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 2.42 2.43 0.00 89 K 8.04 3.93 0.00 2.03 2.07 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.56 7.81 90 D 8.08 4.37 0.00 2.97 2.81 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 91 R 8.09 4.05 0.00 2.12 2.06 0.00 3.27 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 92 N 9.00 4.80 0.00 2.86 3.07 0.00 0.00 6.99 8.24 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 93 D 8.42 4.44 0.00 2.89 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 94 L 8.09 4.11 0.00 1.86 1.85 1.26 1.18 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 95 I 8.38 3.82 1.73 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 1.50 0.50 0.27 0.00 0.00 96 T 8.50 3.99 4.50 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 1.28 0.00 0.00 97 Y 8.18 4.02 0.00 3.29 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 98 L 8.17 3.67 0.00 1.87 1.91 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.65 2.97 0.00 1.39 1.86 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.11 7.81 100 K 7.45 3.98 0.00 1.72 1.70 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 101 A 7.46 3.92 0.65 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 0.00 102 T 7.93 4.06 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 1.14 0.00 0.00 103 E 7.49 4.02 0.00 2.04 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 2.27 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.