NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3421 8.1127 119.0745 55.5162 31.4725 175.8188 9 L 3.7923 8.3623 119.7820 58.6317 41.9670 177.1605 10 D 4.9983 8.9623 116.9778 55.8850 41.7841 175.7517 11 D 4.7637 7.8811 118.3020 54.6672 42.0960 177.3497 12 Q 4.2097 8.1069 120.4554 55.3905 29.9163 176.8189 13 I 3.8380 8.5911 124.8081 64.0236 38.0023 178.3236 14 G 3.5925 8.0551 106.3158 47.5900 0.0000 175.2984 15 F 4.4470 8.2505 122.8887 61.1604 39.5411 176.9469 16 I 3.4500 7.7697 119.3320 64.4290 37.0367 178.4007 17 L 3.9733 8.1959 119.9901 57.8123 41.4416 179.6271 18 R 3.9193 8.2375 118.7657 59.3770 29.9231 178.6553 19 Q 3.8574 7.9761 117.6443 58.9438 28.7457 178.3712 20 A 3.9690 7.9415 121.7385 55.3673 18.2372 179.2443 21 N 4.3327 8.1252 115.1471 56.9386 38.9936 177.2610 22 Q 4.0099 8.2051 119.6230 58.7276 28.7232 178.6197 23 R 3.8647 8.3647 120.2153 59.4780 30.1928 177.8446 24 Y 3.9284 8.1873 119.0930 60.8207 38.7434 177.8494 25 A 4.1721 8.4868 121.5844 55.2594 18.3415 179.5351 26 A 3.9428 7.7797 118.7524 55.1850 18.7184 179.8013 27 L 3.8273 7.9633 117.6462 57.7002 41.6406 179.6311 28 F 3.5574 8.3629 120.5979 61.1922 39.1711 176.9685 29 A 4.0492 8.1133 119.2556 55.3724 18.1801 178.9125 30 N 4.5361 8.0789 113.8264 54.8691 38.8763 176.8266 31 G 3.8245 7.3001 104.1684 44.5601 0.0000 174.9441 32 I 3.2199 7.2089 121.4754 62.2848 37.6745 177.6540 33 G 3.9056 8.0426 106.7967 45.3073 0.0000 173.3925 34 N 4.6060 7.4857 114.2984 52.0947 37.6513 176.0414 35 G 3.9366 8.0977 106.3334 45.8768 0.0000 173.8165 36 L 4.6041 8.0221 119.9115 54.1168 42.6433 177.6479 37 T 4.3342 9.1637 113.6675 60.8123 70.9856 173.9105 38 P 3.2823 0.0000 0.0000 65.8099 31.2255 178.6986 39 T 4.1185 7.7560 107.3580 64.0241 69.1638 177.0320 40 Q 4.0291 7.7292 120.9774 58.4201 28.7263 178.1169 41 W 4.4104 8.6787 129.4837 60.5499 30.7399 177.5136 42 A 3.8438 8.2341 120.3810 55.3513 17.8230 179.4209 43 A 3.8636 8.0142 118.8825 55.0964 18.2143 179.5069 44 L 3.7587 7.6657 117.6708 58.2173 42.4247 179.0495 45 V 3.2826 7.6284 118.2133 65.8558 31.4051 177.5548 46 R 3.7986 8.0093 118.6608 59.7877 29.9773 178.4059 47 L 4.2564 8.0195 118.1955 57.4155 41.2426 179.8765 48 G 3.5318 7.7882 105.5016 47.5549 0.0000 175.5638 49 E 4.0954 7.8341 119.7766 59.4321 29.8091 179.0458 50 T 4.1216 8.2867 108.0778 63.7410 69.6655 176.3431 51 G 3.7673 7.9872 109.8772 44.4928 0.0000 170.4863 52 P 4.4392 0.0000 0.0000 64.0387 31.5195 175.6235 53 C 4.7714 9.1468 124.0638 56.8597 35.6840 171.2820 54 P 4.4996 0.0000 0.0000 62.9079 31.8506 177.1442 55 Q 3.9368 8.9488 124.2770 59.5754 29.1077 178.6180 56 N 4.3723 8.0490 116.9895 56.2609 38.5825 177.0404 57 Q 4.0006 8.0060 120.5981 58.6654 29.1264 177.5001 58 L 4.0010 8.0039 121.8982 58.0664 42.1779 179.2484 59 G 3.5941 8.0031 105.3754 48.0173 0.0000 175.9821 60 R 4.0389 7.6259 119.2522 58.7066 30.1187 178.7467 61 L 4.2635 8.1121 118.1917 56.3898 41.7027 178.3202 62 T 4.5959 7.2580 107.5535 59.5297 69.7803 173.6004 63 A 3.3837 7.2390 123.5045 52.9342 15.8454 177.2432 *65 D 4.4200 7.8723 119.7702 53.1833 42.1015 175.9883 66 A 3.9422 8.3931 120.0432 55.3800 18.0979 179.7005 67 A 3.9090 7.9551 118.4688 55.6349 18.8036 179.7442 68 T 3.7909 8.6861 114.7133 66.8860 68.4986 176.7090 69 I 3.7564 8.0080 120.5971 63.6330 38.0921 177.6690 70 K 4.0899 8.1108 120.8309 59.4161 31.9908 178.7546 71 G 3.6739 8.2401 105.9245 48.1555 0.0000 176.0840 72 V 3.6605 7.6980 115.3662 63.8233 31.4887 178.8201 73 V 3.6523 7.9500 118.0490 66.1539 31.2183 177.9847 74 E 3.9706 8.1571 118.0695 59.4879 29.4391 179.5761 75 R 3.9674 7.9840 118.1318 59.0306 30.0625 179.0575 76 L 4.1112 8.4872 119.4698 57.6654 41.6001 179.0547 77 D 4.2704 8.3191 118.2649 57.3210 41.0429 178.0702 78 K 4.0604 8.1284 119.4597 59.1928 32.1753 177.1956 79 R 4.3063 7.4750 114.3024 55.4415 30.3160 176.3174 80 G 3.8973 8.3802 106.4042 46.9361 0.0000 174.5617 81 L 4.7607 8.1742 120.1811 54.0236 44.0358 176.4005 82 I 5.1321 7.7497 111.0390 59.0627 40.8734 174.5490 83 Q 4.6903 9.1831 119.6618 54.9040 32.2433 173.6461 84 R 5.3139 8.5269 119.0557 54.7039 33.0388 175.2241 85 S 4.7637 8.8703 115.8698 56.4141 67.0187 173.1811 86 A 4.4655 8.5571 123.1360 52.1071 18.8556 176.9055 87 D 4.3251 8.7958 123.3090 53.5904 41.6593 175.7414 88 P 4.4183 0.0000 0.0000 61.3234 30.1657 175.2445 *90 D 4.3536 7.6583 121.7949 54.6823 41.3620 175.6664 91 G 3.8039 8.2606 112.0070 46.9576 0.0000 172.7333 92 R 4.0280 8.1073 119.0961 58.5857 30.4785 176.9035 93 R 4.6592 7.7234 113.6817 54.6530 31.9245 175.4807 94 L 5.0519 8.3828 120.5418 53.3888 43.9030 175.6688 95 L 4.7501 9.1995 123.2716 53.0490 44.6476 175.4794 96 V 4.8091 8.7024 123.5510 61.7948 33.3972 174.9866 97 S 4.9725 8.8417 121.2390 56.5377 67.2004 172.9493 98 L 4.6834 8.3980 119.8567 54.8133 42.0310 177.6644 99 S 4.5495 8.6774 117.5906 57.0136 64.5715 173.2401 100 P 4.1925 0.0000 0.0000 66.4188 30.5900 178.3294 101 A 4.0973 8.1044 119.8380 54.9719 18.4561 179.6892 102 G 3.5554 7.8417 104.2692 47.8959 0.0000 175.9058 103 R 3.9097 8.4265 121.3016 59.1197 30.0539 178.5635 104 A 4.0192 8.2310 120.7217 55.1229 18.3002 179.2813 105 E 4.0187 8.2871 117.8522 58.9530 29.2269 178.9301 106 L 4.0902 7.8850 120.2790 58.3264 42.0373 178.8192 107 E 4.0435 7.8208 116.9881 59.3950 29.4726 178.9367 108 A 4.2649 8.0982 120.1058 54.4358 18.7917 178.9308 109 G 3.8290 7.9026 102.2540 44.9123 0.0000 175.7518 110 L 4.3245 7.8870 121.5294 57.8992 41.7446 179.0389 111 A 3.9752 8.0901 119.8942 55.1032 18.3144 179.2983 112 A 3.7621 7.8566 118.3878 55.2972 18.4831 179.5997 113 A 3.7408 7.7426 119.2164 55.1838 18.3728 179.7563 114 R 3.8860 8.3746 117.6442 59.6095 30.0953 178.4181 115 E 3.9570 8.2645 119.1490 59.0212 29.6252 178.5725 116 I 3.5709 8.0522 120.4158 64.5174 37.2996 178.0516 117 N 4.5463 8.4065 117.3501 56.4435 38.2192 177.7417 118 R 4.0043 7.6522 115.8674 59.2826 29.9330 178.5087 119 Q 4.1023 8.1696 118.5946 58.7126 28.4976 178.4955 120 A 4.0999 7.9546 120.5245 54.9170 18.7907 178.7939 121 L 4.4416 7.6677 114.2388 54.7105 41.7856 178.3527 122 A 4.0293 7.5853 122.2013 54.8191 18.4263 177.4586 123 P 4.3300 0.0000 0.0000 64.2110 31.7000 176.1407 124 L 4.7562 7.4880 118.6836 52.3453 43.7936 177.2134 125 S 4.3241 8.5874 117.9470 58.3650 64.4807 175.7718 126 L 4.0559 8.4933 122.8320 57.8997 41.3091 179.9353 127 Q 4.0378 7.9788 117.9217 58.9082 28.8182 178.0719 128 E 4.0800 7.9685 119.4970 59.1073 29.3392 179.4339 129 Q 3.9934 8.4747 118.9825 58.9068 28.7698 178.5173 130 E 3.9527 7.9056 118.9721 59.5745 29.4826 179.2742 131 T 3.8550 7.8263 115.8082 66.6580 68.6032 176.2017 132 L 3.9182 8.0536 121.9092 58.3329 41.9343 178.9162 133 R 4.0407 8.0520 116.9654 60.0219 30.4457 178.6014 134 G 3.6389 8.3938 105.4085 46.8903 0.0000 175.2666 135 L 3.9259 8.3882 120.7642 57.4098 42.0306 179.7677 136 L 3.9466 8.5431 119.7784 58.2600 41.6286 178.9800 137 A 4.0264 7.9545 120.1363 54.8831 18.0764 179.4215 138 R 4.0565 7.7556 114.8555 57.9427 30.2123 177.8259 139 L 4.5652 7.4401 117.3784 54.1595 42.1980 176.3752 140 I 3.8492 7.2894 125.4805 61.8012 37.0614 175.7086 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 8 R 8.11 4.34 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.36 3.79 0.00 1.63 1.53 0.64 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.96 5.00 0.00 2.78 2.83 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 11 D 7.88 4.76 0.00 2.87 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 12 Q 8.11 4.21 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 13 I 8.59 3.84 1.89 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 1.58 1.51 0.93 0.00 0.00 14 G 8.06 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.25 4.45 0.00 3.03 3.26 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 16 I 7.77 3.45 1.99 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 1.47 0.82 0.86 0.00 0.00 17 L 8.20 3.97 0.00 1.94 1.71 0.96 0.86 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 18 R 8.24 3.92 0.00 1.92 2.18 0.00 3.16 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 1.66 1.70 0.00 19 Q 7.98 3.86 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 20 A 7.94 3.97 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 21 N 8.13 4.33 0.00 3.06 2.91 0.00 0.00 7.21 7.14 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 22 Q 8.21 4.01 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 23 R 8.36 3.86 0.00 1.86 2.10 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 24 Y 8.19 3.93 0.00 3.19 3.13 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 25 A 8.49 4.17 1.47 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 0.00 0.00 26 A 7.78 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.83 0.00 1.58 1.56 0.90 0.78 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 28 F 8.36 3.56 0.00 2.54 2.97 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 29 A 8.11 4.05 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 30 N 8.08 4.54 0.00 2.73 2.81 0.00 0.00 6.82 7.81 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 31 G 7.30 3.82 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 0.00 0.00 0.00 32 I 7.21 3.22 0.56 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.73 0.73 0.00 0.00 33 G 8.04 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 34 N 7.49 4.61 0.00 3.03 2.91 0.00 0.00 6.99 6.88 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 35 G 8.10 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 36 L 8.02 4.60 0.00 2.01 1.86 1.33 0.75 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 37 T 9.16 4.33 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 1.26 0.00 0.00 38 P 0.00 3.28 0.00 1.99 1.76 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.45 0.00 39 T 7.76 4.12 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 1.19 0.00 0.00 40 Q 7.73 4.03 0.00 2.49 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 41 W 8.68 4.41 0.00 3.69 3.44 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 42 A 8.23 3.84 1.40 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 0.00 0.00 0.00 43 A 8.01 3.86 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 44 L 7.67 3.76 0.00 1.73 1.58 0.91 0.91 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 45 V 7.63 3.28 1.85 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 0.76 0.00 0.00 -0.33 0.00 0.00 46 R 8.01 3.80 0.00 1.94 1.99 0.00 3.17 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 1.59 1.70 0.00 47 L 8.02 4.26 0.00 1.90 1.66 0.89 0.69 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 48 G 7.79 3.53 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 0.00 0.00 0.00 49 E 7.83 4.10 0.00 2.04 1.99 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 2.28 2.48 0.00 50 T 8.29 4.12 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 1.23 0.00 0.00 51 G 7.99 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 0.00 0.00 0.00 0.00 52 P 0.00 4.44 0.00 2.07 2.11 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 53 C 9.15 4.77 0.00 3.11 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 54 P 0.00 4.50 0.00 2.10 1.95 0.00 3.65 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 2.10 2.08 0.00 55 Q 8.95 3.94 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 56 N 8.05 4.37 0.00 2.84 2.84 0.00 0.00 6.78 7.33 0.00 0.00 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 Q 8.01 4.00 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 58 L 8.00 4.00 0.00 1.79 1.87 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.00 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.63 4.04 0.00 1.95 2.00 0.00 3.15 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 61 L 8.11 4.26 0.00 1.78 1.70 0.91 0.90 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 62 T 7.26 4.60 4.21 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 1.19 0.00 0.00 63 A 7.24 3.38 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 *65 D 7.87 4.42 0.00 2.98 2.88 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 0.00 0.00 0.00 66 A 8.39 3.94 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 67 A 7.96 3.91 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 68 T 8.69 3.79 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 69 I 8.01 3.76 2.00 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 1.40 1.70 1.03 0.00 0.00 70 K 8.11 4.09 0.00 2.10 1.98 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.58 7.81 71 G 8.24 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 72 V 7.70 3.66 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 0.79 0.00 0.00 0.96 0.00 0.00 73 V 7.95 3.65 2.15 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 1.11 0.00 0.00 0.97 0.00 0.00 74 E 8.16 3.97 0.00 2.32 1.99 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 2.33 2.50 0.00 75 R 7.98 3.97 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 76 L 8.49 4.11 0.00 1.82 1.73 0.98 0.99 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 77 D 8.32 4.27 0.00 2.95 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 78 K 8.13 4.06 0.00 1.89 2.02 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 79 R 7.47 4.31 0.00 2.14 1.97 0.00 3.45 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 80 G 8.38 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 81 L 8.17 4.76 0.00 1.72 1.71 0.98 0.64 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 82 I 7.75 5.13 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 1.53 0.60 0.90 0.00 0.00 83 Q 9.18 4.69 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 84 R 8.53 5.31 0.00 1.67 1.84 0.00 3.19 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 85 S 8.87 4.76 0.00 3.85 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 86 A 8.56 4.47 1.24 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 0.00 0.00 87 D 8.80 4.33 0.00 2.76 2.83 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 88 P 0.00 4.42 0.00 2.19 2.06 0.00 3.58 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 1.94 2.05 0.00 *90 D 7.66 4.35 0.00 2.80 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 91 G 8.26 3.80 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 0.00 0.00 0.00 92 R 8.11 4.03 0.00 1.81 2.00 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 93 R 7.72 4.66 0.00 1.84 2.03 0.00 2.74 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 94 L 8.38 5.05 0.00 1.54 1.61 0.92 0.97 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 95 L 9.20 4.75 0.00 1.72 1.53 0.97 0.01 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 96 V 8.70 4.81 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 1.05 0.00 0.00 0.92 0.00 0.00 97 S 8.84 4.97 0.00 3.86 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 98 L 8.40 4.68 0.00 1.51 1.63 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.68 4.55 0.00 3.92 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 0.00 100 P 0.00 4.19 0.00 2.28 2.38 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 101 A 8.10 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 3.56 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 0.00 103 R 8.43 3.91 0.00 1.91 2.14 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 104 A 8.23 4.02 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 0.00 105 E 8.29 4.02 0.00 2.26 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 0.00 2.49 2.42 0.00 106 L 7.88 4.09 0.00 1.89 1.84 0.51 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.82 4.04 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 2.50 2.49 0.00 108 A 8.10 4.26 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 0.00 109 G 7.90 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 0.00 110 L 7.89 4.32 0.00 1.82 1.85 1.04 0.98 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 0.00 111 A 8.09 3.98 1.31 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 0.00 0.00 0.00 112 A 7.86 3.76 1.08 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 0.00 0.00 113 A 7.74 3.74 1.28 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 0.00 114 R 8.37 3.89 0.00 2.14 2.06 0.00 3.12 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 115 E 8.26 3.96 0.00 2.14 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 0.00 2.24 2.32 0.00 116 I 8.05 3.57 1.97 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.25 0.66 0.00 0.00 117 N 8.41 4.55 0.00 2.99 2.96 0.00 0.00 6.83 7.18 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 0.00 118 R 7.65 4.00 0.00 1.95 2.08 0.00 3.08 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 119 Q 8.17 4.10 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 120 A 7.95 4.10 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 0.00 0.00 0.00 0.00 0.00 121 L 7.67 4.44 0.00 1.77 1.80 1.01 0.59 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 0.00 122 A 7.59 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.33 0.00 2.05 2.13 0.00 3.68 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 2.03 2.11 0.00 124 L 7.49 4.76 0.00 1.82 1.56 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.59 4.32 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.49 4.06 0.00 1.71 1.77 0.93 0.88 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 0.00 127 Q 7.98 4.04 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 128 E 7.97 4.08 0.00 2.11 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 2.33 2.35 0.00 129 Q 8.47 3.99 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 130 E 7.91 3.95 0.00 2.18 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 2.33 2.35 0.00 131 T 7.83 3.86 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 1.21 0.00 0.00 132 L 8.05 3.92 0.00 1.81 1.80 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.05 4.04 0.00 1.97 2.00 0.00 3.23 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 1.68 1.86 0.00 134 G 8.39 3.64 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 0.00 0.00 0.00 135 L 8.39 3.93 0.00 1.98 1.76 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.54 3.95 0.00 1.97 1.65 0.89 0.99 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 0.00 137 A 7.95 4.03 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 0.00 138 R 7.76 4.06 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 139 L 7.44 4.57 0.00 1.72 1.67 0.92 0.71 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 0.00 140 I 7.29 3.85 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.31 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.