NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4398 8.1814 115.4170 58.5357 64.2236 173.9269 18 G 3.3872 8.5498 103.6422 47.1973 0.0000 173.8592 19 L 4.0005 7.9900 124.3892 58.0289 42.8324 177.5866 20 E 3.9762 7.8636 119.3426 61.8810 29.5184 181.2880 21 D 4.6705 7.5014 122.9527 57.7944 39.9568 180.7440 22 K 4.1435 7.9408 120.1130 59.0661 32.0281 179.7118 23 V 3.7800 8.0132 119.1853 65.5961 31.2689 178.2507 24 S 4.0703 8.1955 116.7171 61.6527 63.1077 177.2413 25 K 4.0115 8.3022 127.6630 59.6472 31.4780 181.1012 26 Q 4.2600 8.2619 123.3235 59.2952 28.9646 178.5666 27 L 4.3692 8.0204 125.3983 59.1965 40.9838 182.4019 28 E 4.2818 8.8056 117.6544 61.1114 30.1189 182.6952 29 S 4.6483 8.2499 117.2777 61.4108 63.3970 176.9274 30 K 4.2122 7.6496 124.7835 57.1779 31.7930 178.6676 31 G 3.9027 8.3521 107.6181 48.2520 0.0000 174.7816 32 I 4.4769 7.7286 118.4732 57.9782 38.6917 178.0416 33 K 4.2483 8.7452 128.1567 52.7376 32.2029 172.7385 34 F 5.1215 8.0143 118.6135 53.9489 40.6191 174.5537 35 E 4.6893 8.9418 121.2668 55.3571 30.2653 176.2563 36 Y 4.7072 8.7899 127.3541 55.8661 37.3965 174.5873 37 E 3.7975 8.5879 126.8553 57.7017 26.4461 175.4383 38 E 4.6219 7.8505 113.3302 55.4618 30.5448 179.3904 *39 W 4.0626 7.5319 118.7925 56.9444 31.9220 176.6108 40 K 4.5117 8.8493 126.0154 51.6921 33.0067 172.2802 41 V 4.2739 8.1786 124.0885 59.4891 31.8429 173.6180 42 P 4.5507 0.0000 0.0000 62.7454 31.8562 175.4012 43 Y 4.8823 7.9124 118.5099 55.7782 40.9241 173.9865 44 V 4.1600 8.2446 119.5346 60.9309 33.6813 174.7324 45 I 4.2186 8.1663 128.5407 59.3433 37.5409 174.0941 46 P 4.3338 0.0000 0.0000 62.2317 31.7069 176.0585 47 A 4.2222 8.3233 122.7512 52.6800 18.9102 176.9589 48 S 4.7212 8.1475 112.5636 56.7962 66.2324 173.1016 49 N 4.9937 8.3766 118.3803 52.2511 40.3173 173.9306 50 H 4.9339 8.3001 117.4361 55.0109 33.1716 172.5083 51 T 4.8148 8.1530 109.2602 60.2489 71.6406 172.6417 52 Y 4.7795 8.3339 122.3496 56.2393 41.7662 175.1922 53 T 3.9935 7.8290 123.0993 60.4003 68.8850 171.8616 54 P 4.3695 0.0000 0.0000 61.8632 32.1195 176.7037 55 D 4.1826 8.9708 122.0818 56.8930 41.1501 176.7473 56 F 4.9083 8.6629 117.6088 55.2785 41.9187 174.1976 57 L 4.6768 8.4010 124.7875 53.0267 43.8972 176.1784 58 L 4.3700 8.5797 126.9323 53.4531 42.4920 176.3861 59 P 4.3500 0.0000 0.0000 65.6387 31.4797 177.1639 60 N 4.4997 8.0602 113.3622 53.1240 37.7087 176.1669 61 G 3.9308 8.3897 108.1111 45.0219 0.0000 173.4059 62 I 4.1480 7.7130 121.5133 60.4163 38.6086 175.0486 63 F 5.0795 9.1168 126.1692 56.4862 41.1070 175.0505 64 V 5.0027 9.4096 122.2223 61.2195 34.6949 173.5857 65 E 5.1857 9.4026 129.1801 54.7094 31.9947 174.4650 66 T 4.9112 9.4553 117.0366 60.4879 71.0197 174.3016 67 K 4.4102 8.9471 122.7748 56.5814 36.8617 174.4099 68 G 4.3437 9.1586 112.8829 45.5080 0.0000 175.8506 69 L 4.2710 9.2904 119.2534 54.8308 43.2488 175.2846 70 W 4.8827 9.0352 135.0000 54.8493 31.3263 175.2109 71 E 4.2238 8.3437 125.0909 55.2128 31.1348 177.4060 72 S 3.7646 8.3623 114.1499 61.9133 62.3636 176.0439 73 D 4.2248 7.8882 120.8738 57.1750 40.5693 178.1770 74 D 4.2598 7.7828 118.1404 57.3180 41.4986 178.2503 75 R 3.3878 7.3197 118.5643 59.0811 29.8388 179.2229 76 K 3.9692 8.0517 118.4128 59.0798 31.8985 179.3229 77 K 3.8138 7.9358 119.8986 59.9600 32.1671 178.4681 78 H 4.0281 8.2732 116.3510 58.9107 28.6084 177.8410 79 L 4.0170 7.9629 120.3718 57.7952 41.5134 179.4695 80 L 3.9968 8.0754 119.0038 57.9209 41.4571 179.6978 81 I 3.8082 8.1491 120.1685 64.2732 36.7692 178.4762 82 R 3.8107 7.8074 118.7976 59.3236 29.9942 177.9323 83 E 4.0552 8.0615 118.0809 59.4683 29.7785 178.4762 84 Q 4.1486 8.4390 116.9606 57.5868 30.3666 176.1260 85 H 4.9769 8.8103 116.9678 53.0514 29.2034 172.3792 86 P 4.3022 0.0000 0.0000 65.5883 31.5964 178.4274 87 E 4.1223 8.0974 117.5284 58.6513 29.7693 177.4068 88 L 4.0218 7.9612 119.0703 54.6923 42.1911 176.1367 89 D 4.8033 8.7381 122.5311 52.7665 42.8881 174.4238 90 I 4.9704 8.3126 126.6240 59.7015 39.4593 175.4701 91 R 4.7634 9.0716 126.4009 54.4055 33.5524 175.1580 92 I 4.8013 8.5802 120.8948 59.5029 40.6403 174.8527 93 V 4.7351 8.7171 126.9157 61.3847 33.5012 174.5531 94 F 5.3550 9.4066 127.5618 56.1548 41.0537 177.3609 95 S 4.3344 9.2971 116.9420 61.3884 64.6420 174.1078 96 S 4.5425 8.0690 116.2298 57.1260 63.2462 174.2612 97 S 3.8294 9.8702 123.9260 59.6744 62.9655 176.1548 98 R 4.0284 7.3967 119.8665 57.6004 30.4446 177.0574 99 T 3.5593 7.1193 115.1237 63.7035 68.8327 173.6415 100 K 4.3744 8.0190 124.6324 55.7321 33.0423 176.9156 101 L 4.2405 8.2887 124.1663 57.8926 41.8929 177.0996 102 Y 4.8291 6.6831 113.4732 54.9167 40.8120 173.6054 103 K 4.1779 8.6159 122.0604 58.0311 32.5181 176.0018 104 G 4.1067 8.9400 114.3718 45.5771 0.0000 173.8732 105 S 3.9705 7.3323 114.1646 57.4623 62.6073 172.3940 106 P 4.3681 0.0000 0.0000 64.8002 31.9870 176.5706 107 T 4.5007 7.6134 117.1849 62.8641 69.4540 174.0933 108 S 5.0655 9.0413 120.8106 56.6186 66.6916 174.8836 109 Y 4.6190 8.3264 121.1131 61.5546 37.5432 179.6794 110 G 2.8591 7.8950 106.1432 47.7548 0.0000 175.6289 111 E 4.3198 8.0783 122.9367 58.3049 29.4258 179.3302 112 F 4.1686 8.5286 120.8746 61.4084 39.4851 176.9540 113 C 4.3543 8.3444 116.3684 63.1106 27.7359 175.9082 114 E 4.1501 8.4079 120.0841 59.5311 28.8584 179.4936 115 K 4.0653 8.1886 118.5163 58.6802 32.2148 177.6384 116 H 4.7362 7.6894 114.2129 54.6574 29.0142 174.8515 117 G 3.9173 7.5438 107.2190 46.4352 0.0000 173.6228 118 I 4.3762 8.1476 121.0131 59.7870 38.2962 175.9086 119 K 4.6133 8.6864 127.0748 56.1554 33.3408 176.0182 120 F 6.0102 8.6675 118.1247 56.2360 41.8796 172.4527 121 A 4.5821 9.5346 119.9220 51.2237 23.0979 174.5389 122 D 5.3351 8.3198 118.0932 54.0484 43.1961 176.2094 123 K 4.2422 9.6913 128.0983 56.9715 31.2748 176.1239 124 L 4.7645 7.2012 115.3187 52.2782 45.3374 176.5155 125 I 3.4628 8.0166 122.2663 60.4850 37.6612 174.7043 126 P 4.0227 0.0000 0.0000 62.0307 32.0612 177.4471 127 A 3.9956 8.3756 123.3366 55.2657 18.0396 180.0733 128 E 4.0352 7.9704 115.9917 58.9691 29.7262 179.2440 129 W 4.4899 7.9641 119.3271 60.0684 29.0294 178.4087 130 I 3.7912 8.1379 120.2273 65.0280 36.6122 178.3243 131 K 4.2615 7.8092 121.3239 56.7194 32.2243 179.9860 132 E 4.3251 7.6975 118.2404 56.3973 30.0144 175.2943 133 P 4.2902 0.0000 0.0000 62.4040 31.9815 176.2131 134 K 4.2503 8.6525 123.7717 57.0836 32.5068 175.5764 135 K 4.7999 8.8705 127.8946 55.4247 36.2193 175.8091 136 E 4.3770 8.6564 118.4192 55.9753 30.5538 175.3727 137 V 3.9673 8.2721 124.6023 59.9882 33.3789 175.2522 138 P 4.7822 0.0000 0.0000 61.4427 29.7360 177.1522 139 F 4.2915 7.7974 120.0201 60.8103 39.8238 177.2143 140 D 4.7187 8.2535 118.9055 54.6198 39.3752 177.1649 141 R 4.6742 8.0615 117.1225 55.7291 31.8199 175.0502 142 L 4.7531 7.5834 117.3916 52.7787 44.1563 175.7792 143 K 4.6627 8.0933 118.2303 54.4003 35.5658 176.6917 144 R 4.0718 8.6714 125.9180 56.4597 30.8364 177.0082 145 K 4.2029 8.5616 124.5466 54.9467 31.6995 175.4912 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 17 S 8.18 4.44 0.00 4.03 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 18 G 8.55 3.39 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 0.00 19 L 7.99 4.00 0.00 1.76 1.65 0.90 0.95 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 20 E 7.86 3.98 0.00 2.06 1.95 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 2.25 2.21 0.00 21 D 7.50 4.67 0.00 2.81 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 22 K 7.94 4.14 0.00 1.80 1.87 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.77 7.81 23 V 8.01 3.78 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 0.94 0.00 0.00 0.91 0.00 0.00 24 S 8.20 4.07 0.00 4.16 3.61 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 25 K 8.30 4.01 0.00 1.77 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 Q 8.26 4.26 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 27 L 8.02 4.37 0.00 1.73 1.65 0.92 0.92 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 28 E 8.81 4.28 0.00 2.01 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 0.00 2.26 2.18 0.00 29 S 8.25 4.65 0.00 4.07 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 30 K 7.65 4.21 0.00 1.89 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.33 7.81 31 G 8.35 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 32 I 7.73 4.48 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 1.16 0.87 0.91 0.00 0.00 33 K 8.75 4.25 0.00 1.77 1.64 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 0.99 7.81 34 F 8.01 5.12 0.00 2.99 3.06 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 35 E 8.94 4.69 0.00 2.07 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 2.29 2.33 0.00 36 Y 8.79 4.71 0.00 3.26 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 37 E 8.59 3.80 0.00 1.88 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 1.95 1.90 0.00 38 E 7.85 4.62 0.00 1.97 1.80 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 2.14 1.84 0.00 *39 W 7.53 4.06 0.00 2.45 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 0.00 0.00 0.00 40 K 8.85 4.51 0.00 1.75 1.61 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 0.96 7.81 41 V 8.18 4.27 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 1.01 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.55 0.00 2.11 1.96 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 43 Y 7.91 4.88 0.00 3.02 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 44 V 8.24 4.16 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 0.85 0.00 0.00 0.90 0.00 0.00 45 I 8.17 4.22 1.84 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 1.62 0.62 0.93 0.00 0.00 46 P 0.00 4.33 0.00 2.16 2.07 0.00 3.55 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 47 A 8.32 4.22 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 48 S 8.15 4.72 0.00 3.91 3.81 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 49 N 8.38 4.99 0.00 2.66 2.75 0.00 0.00 6.74 8.16 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 50 H 8.30 4.93 0.00 3.06 3.21 0.00 5.84 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 51 T 8.15 4.81 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 1.23 0.00 0.00 52 Y 8.33 4.78 0.00 2.76 2.77 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 53 T 7.83 3.99 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 1.07 0.00 0.00 54 P 0.00 4.37 0.00 2.13 2.04 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.66 0.00 55 D 8.97 4.18 0.00 2.74 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 0.00 0.00 0.00 56 F 8.66 4.91 0.00 3.13 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 57 L 8.40 4.68 0.00 1.28 1.45 -0.23 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.58 4.37 0.00 1.97 1.71 0.94 0.86 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 59 P 0.00 4.35 0.00 2.03 2.13 0.00 3.67 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 2.03 2.09 0.00 60 N 8.06 4.50 0.00 2.98 3.05 0.00 0.00 6.50 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 61 G 8.39 3.93 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 0.00 0.00 0.00 62 I 7.71 4.15 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.76 0.00 0.00 63 F 9.12 5.08 0.00 3.20 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 64 V 9.41 5.00 2.32 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 1.15 0.00 0.00 1.12 0.00 0.00 65 E 9.40 5.19 0.00 2.30 1.78 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 2.31 2.24 0.00 66 T 9.46 4.91 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 1.43 0.00 0.00 67 K 8.95 4.41 0.00 1.07 1.57 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.14 0.89 7.81 68 G 9.16 4.34 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 69 L 9.29 4.27 0.00 1.73 1.71 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 W 9.04 4.88 0.00 2.77 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 0.00 0.00 0.00 71 E 8.34 4.22 0.00 1.98 1.80 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 2.44 2.32 0.00 72 S 8.36 3.76 0.00 3.78 3.75 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 73 D 7.89 4.22 0.00 2.66 2.63 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 74 D 7.78 4.26 0.00 2.72 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 75 R 7.32 3.39 0.00 1.29 1.01 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 8.05 3.97 0.00 1.85 1.80 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 77 K 7.94 3.81 0.00 1.72 1.94 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.31 7.81 78 H 8.27 4.03 0.00 3.67 3.53 0.00 5.87 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 7.96 4.02 0.00 1.88 1.70 0.72 0.41 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 80 L 8.08 4.00 0.00 1.79 1.70 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.15 3.81 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.92 0.00 0.00 82 R 7.81 3.81 0.00 1.83 2.16 0.00 3.32 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 1.66 1.69 0.00 83 E 8.06 4.06 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 2.31 2.48 0.00 84 Q 8.44 4.15 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 85 H 8.81 4.98 0.00 3.16 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.30 0.00 2.17 2.21 0.00 3.76 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 1.99 2.00 0.00 87 E 8.10 4.12 0.00 1.98 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 2.34 0.00 88 L 7.96 4.02 0.00 1.79 1.56 0.71 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.74 4.80 0.00 2.68 2.56 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 90 I 8.31 4.97 1.94 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 1.30 0.78 1.09 0.00 0.00 91 R 9.07 4.76 0.00 1.27 1.30 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.32 0.00 92 I 8.58 4.80 1.40 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.56 -0.53 0.00 0.00 93 V 8.72 4.74 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 1.05 0.00 0.00 0.96 0.00 0.00 94 F 9.41 5.35 0.00 3.13 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 95 S 9.30 4.33 0.00 3.97 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 0.00 96 S 8.07 4.54 0.00 3.85 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 97 S 9.87 3.83 0.00 3.66 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 0.00 98 R 7.40 4.03 0.00 1.70 1.93 0.00 3.35 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 99 T 7.12 3.56 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 100 K 8.02 4.37 0.00 1.58 1.60 0.00 1.88 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.33 7.81 101 L 8.29 4.24 0.00 1.16 1.69 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.68 4.83 0.00 3.09 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 0.00 103 K 8.62 4.18 0.00 1.78 1.84 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 104 G 8.94 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 0.00 105 S 7.33 3.97 0.00 2.72 3.15 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 0.00 106 P 0.00 4.37 0.00 2.18 2.12 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 107 T 7.61 4.50 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 1.29 0.00 0.00 108 S 9.04 5.07 0.00 4.04 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 0.00 109 Y 8.33 4.62 0.00 2.55 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 0.00 0.00 0.00 110 G 7.90 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 0.00 0.00 0.00 111 E 8.08 4.32 0.00 2.20 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 2.35 2.19 0.00 112 F 8.53 4.17 0.00 3.19 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 0.00 113 C 8.34 4.35 0.00 2.96 3.48 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 0.00 114 E 8.41 4.15 0.00 2.26 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 2.52 2.72 0.00 115 K 8.19 4.07 0.00 1.67 1.92 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.93 1.29 7.81 116 H 7.69 4.74 0.00 2.97 3.16 0.00 6.01 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.54 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 0.00 118 I 8.15 4.38 2.10 0.00 0.00 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 1.35 0.74 1.02 0.00 0.00 119 K 8.69 4.61 0.00 1.45 1.56 0.00 1.42 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.40 7.81 120 F 8.67 6.01 0.00 3.51 3.28 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 0.00 121 A 9.53 4.58 0.75 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 0.00 0.00 122 D 8.32 5.34 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 9.69 4.24 0.00 1.84 1.95 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.54 7.81 124 L 7.20 4.76 0.00 1.45 1.39 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.02 3.46 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.32 0.93 0.00 0.00 126 P 0.00 4.02 0.00 1.26 1.59 0.00 2.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.38 0.00 127 A 8.38 4.00 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 E 7.97 4.04 0.00 2.00 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 2.31 2.44 0.00 129 W 7.96 4.49 0.00 3.51 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 0.00 130 I 8.14 3.79 2.02 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 1.53 0.52 0.92 0.00 0.00 131 K 7.81 4.26 0.00 1.89 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.38 1.34 7.81 132 E 7.70 4.33 0.00 2.06 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 2.39 2.72 0.00 133 P 0.00 4.29 0.00 2.04 2.00 0.00 3.70 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 2.03 2.09 0.00 134 K 8.65 4.25 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.57 7.81 135 K 8.87 4.80 0.00 1.73 1.73 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.32 7.81 136 E 8.66 4.38 0.00 1.78 1.78 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 2.21 1.87 0.00 137 V 8.27 3.97 1.58 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 0.07 0.00 0.00 0.75 0.00 0.00 138 P 0.00 4.78 0.00 2.23 2.18 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 139 F 7.80 4.29 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.25 4.72 0.00 2.87 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 0.00 141 R 8.06 4.67 0.00 1.75 1.99 0.00 3.38 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 142 L 7.58 4.75 0.00 1.87 1.68 0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.09 4.66 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 144 R 8.67 4.07 0.00 1.79 1.83 0.00 3.21 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 145 K 8.56 4.20 0.00 1.82 1.57 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.