NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 V 3.9057 8.0544 120.3910 62.5613 32.5044 174.8002 15 D 4.3535 8.6234 127.2409 53.1201 40.5557 174.0655 16 L 4.1255 8.7038 128.6308 57.7965 43.1254 179.8688 17 G 3.7227 7.9532 103.4551 46.5507 0.0000 174.6468 *19 L 4.1571 8.0331 123.2587 54.6923 43.8608 178.6229 20 A 3.9556 8.3986 121.4623 55.2376 18.5294 179.4923 21 A 4.0354 7.8670 117.5458 55.3257 18.6047 178.8890 22 E 4.1252 8.1281 114.1975 59.1328 29.9193 178.0049 23 L 4.2872 8.3211 118.1494 55.5113 42.3560 178.6297 24 S 4.1148 7.7042 114.3104 60.9743 62.7072 175.1703 25 P 4.2172 0.0000 0.0000 64.3644 31.1174 176.7308 26 I 4.2909 7.6746 109.1825 60.2637 38.0701 175.4511 27 L 4.5810 7.3901 121.5259 53.4038 43.0980 176.8891 28 G 3.8220 8.9070 110.5925 45.3933 0.0000 174.7674 29 D 4.3947 8.7161 120.9417 56.5372 40.9663 177.2149 30 N 4.8988 8.0186 114.5598 52.3437 37.8001 173.5644 31 E 4.5996 7.8609 119.1246 55.0116 31.5880 174.2876 32 E 4.7085 8.5822 127.0617 54.2408 31.9882 174.4595 33 L 4.4877 8.5992 129.1463 55.4369 42.4342 175.5594 34 Q 4.6971 9.3121 124.6264 57.2193 31.3170 175.9277 35 L 4.8364 7.8660 115.9627 53.4695 46.5142 174.8408 36 A 5.3024 8.1829 121.8380 51.1793 22.4908 175.1765 37 Y 4.6685 9.1722 118.9043 56.9447 41.8464 175.5623 *40 V 3.9668 8.6117 118.1090 63.3093 33.0980 177.1785 41 R 4.5975 7.7789 113.0378 55.8531 31.0861 174.2362 42 D 5.1309 8.1060 119.2336 52.4164 44.2670 175.0400 43 L 4.8854 8.8162 124.3212 53.4355 45.1586 175.1124 44 F 4.7440 9.7545 126.8254 56.3065 40.6143 175.0806 45 V 4.6461 8.4791 125.1002 61.1457 33.6847 174.3428 46 F 4.9289 9.7135 128.2007 56.4300 40.3822 175.7349 47 T 4.9271 8.4647 115.4666 59.3670 71.2512 175.4429 48 S 4.6883 8.8661 112.2538 59.8796 62.8856 174.2321 *50 R 3.0336 7.8987 116.8093 55.8805 31.4051 173.6954 51 L 4.2316 7.4652 121.8453 54.2762 43.5263 175.3344 52 I 4.6174 8.5786 128.3048 59.6872 38.8497 174.7064 53 L 4.3522 8.8685 131.6500 53.8943 43.2069 175.3207 54 I 4.5109 8.4955 128.9373 59.7604 39.1756 174.8028 55 D 5.3814 8.2599 126.4443 51.5600 44.8822 174.0325 *57 Q 4.2218 8.3515 118.4695 56.1567 30.2682 174.3934 58 G 4.1711 7.9332 108.0619 44.9326 0.0000 174.6372 59 V 3.6103 8.4681 112.0907 64.1889 31.6567 176.9675 60 T 4.3419 7.7616 107.2538 61.2326 69.2921 175.7623 61 G 3.6685 7.5354 111.8522 45.2858 0.0000 172.6148 *64 V 3.8293 8.0118 118.0284 62.7775 32.5553 175.5899 65 S 4.5256 8.6304 122.8360 57.3293 63.9970 172.2417 66 Y 4.6740 8.7111 124.8800 56.6812 39.5592 174.5387 67 H 4.7914 9.0836 126.0705 54.3924 32.0458 173.1200 68 S 4.8663 8.6967 122.9820 57.7105 63.9636 174.3297 69 I 4.2999 8.6894 126.8799 58.2660 38.8245 173.2697 70 P 4.3064 0.0000 0.0000 61.8765 32.2901 178.0609 71 Y 4.4319 7.9220 121.2540 57.6997 36.8628 177.9197 *73 A 4.1937 7.9869 122.7777 51.7959 20.7232 177.1067 74 I 4.4209 7.8229 116.6398 60.9304 36.2087 175.9204 75 V 4.1165 8.5992 120.4080 63.5811 32.2833 176.1707 76 H 5.1910 8.0054 113.1189 55.0502 31.6955 172.3794 77 F 5.6895 8.1638 112.6009 56.3589 40.6885 173.1353 78 Q 4.7891 8.9318 119.5292 54.8160 32.7662 173.1396 79 V 4.8830 8.5315 124.3398 61.1628 34.3259 174.0932 80 E 4.9405 9.1469 127.7990 54.2504 33.4046 174.8454 81 T 4.5743 8.5338 114.3669 62.2534 69.7718 172.8351 82 A 4.4282 9.1619 124.3207 52.1295 23.7935 176.5323 83 G 3.8500 8.8270 106.1328 44.8770 0.0000 172.9619 84 T 3.9992 8.2856 113.1056 63.4447 67.5296 173.0349 85 F 3.8287 9.4147 128.1637 58.4970 37.8582 173.8835 86 D 4.4325 7.6397 117.6638 53.2954 37.7992 172.4490 *88 D 4.6041 7.8420 122.0697 53.9864 43.2923 173.5096 89 A 5.2340 8.8384 119.7455 50.3604 23.1403 174.7011 90 E 4.7777 9.4016 120.0112 54.5368 32.8932 175.2759 91 L 5.5638 8.1238 128.5379 52.7177 45.8477 174.0448 *93 L 4.3864 8.2106 117.8445 54.6047 43.2691 176.2168 94 W 4.8552 9.2902 125.1060 55.7602 30.7480 175.8133 95 I 5.1655 8.3183 124.4290 58.9946 40.3301 175.1144 96 S 4.2764 8.7980 120.7762 60.2587 62.5506 174.7999 97 G 4.0045 9.0767 115.7406 45.4532 0.0000 173.4378 98 Q 4.3748 7.6023 118.0187 55.6069 29.8824 175.1867 99 H 4.9066 8.5633 115.2251 56.8290 30.0377 175.5949 100 E 4.9343 7.8562 116.3399 53.7762 33.2777 173.0982 101 P 4.4496 0.0000 0.0000 61.6632 32.9603 175.1051 102 L 4.1439 8.2826 123.6334 54.9422 42.4885 176.0604 103 V 4.8853 7.9633 124.4491 59.9936 35.1351 174.0870 *105 E 4.1835 8.5007 121.5189 56.2924 30.5253 175.5598 106 L 4.6597 8.9233 123.6689 52.7134 45.6811 175.1033 *108 R 4.1236 8.3668 119.2485 57.9176 30.2150 175.2504 109 G 4.0936 9.2086 113.5111 45.8422 0.0000 174.1812 110 T 4.1421 7.4192 115.1983 63.5132 69.5298 175.1647 111 D 4.6477 8.3039 124.3591 52.9871 38.3640 176.9310 112 V 3.4303 7.4991 123.5252 65.7348 31.9227 177.1665 113 V 3.6735 7.6689 116.4501 65.6937 31.5468 177.7854 114 G 3.7565 7.9413 104.4010 47.9165 0.0000 175.1875 115 I 3.0801 7.3787 123.1078 63.7688 36.9777 179.1563 116 Q 4.1665 7.4386 114.3796 57.0263 28.3577 178.4186 *118 T 4.1057 7.8289 118.7728 63.7332 70.5979 176.2923 119 I 3.7036 7.7613 121.9245 64.3734 36.8175 178.2091 120 A 4.1235 7.8614 121.4108 55.4530 17.9851 179.9813 121 R 3.8451 7.7556 114.9220 59.1699 30.2178 178.0768 122 Y 4.0012 7.6220 114.8783 59.2905 38.3054 176.7618 123 A 4.6579 8.2089 119.2179 52.3245 19.6128 177.7683 124 L 4.4833 7.4641 116.0120 55.8185 43.1019 176.7010 *125 G 3.7279 7.9288 110.8064 45.7388 0.0000 172.2582 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 14 V 8.05 3.91 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 0.96 0.00 0.00 0.95 0.00 0.00 15 D 8.62 4.35 0.00 2.76 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 16 L 8.70 4.13 0.00 1.75 1.71 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.95 3.72 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 0.00 0.00 0.00 *19 L 8.03 4.16 0.00 1.78 1.88 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.40 3.96 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 21 A 7.87 4.04 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 22 E 8.13 4.13 0.00 2.10 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 2.32 2.34 0.00 23 L 8.32 4.29 0.00 1.76 1.69 0.95 1.00 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 24 S 7.70 4.11 0.00 3.93 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 0.00 25 P 0.00 4.22 0.00 1.99 2.11 0.00 3.70 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 1.98 2.04 0.00 26 I 7.67 4.29 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.75 0.00 0.00 27 L 7.39 4.58 0.00 1.60 1.62 0.92 0.88 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 28 G 8.91 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 29 D 8.72 4.39 0.00 2.68 2.75 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 30 N 8.02 4.90 0.00 2.83 2.89 0.00 0.00 5.79 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 31 E 7.86 4.60 0.00 1.94 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 2.23 2.22 0.00 32 E 8.58 4.71 0.00 2.14 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 2.26 2.26 0.00 33 L 8.60 4.49 0.00 1.73 1.59 0.96 0.77 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 34 Q 9.31 4.70 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.41 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 35 L 7.87 4.84 0.00 1.70 1.42 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.18 5.30 1.21 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 0.00 0.00 37 Y 9.17 4.67 0.00 3.01 2.91 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 *40 V 8.61 3.97 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 0.83 0.00 0.00 0.96 0.00 0.00 41 R 7.78 4.60 0.00 1.96 2.10 0.00 2.93 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 42 D 8.11 5.13 0.00 2.63 2.25 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 43 L 8.82 4.89 0.00 1.68 1.42 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.75 4.74 0.00 3.28 3.02 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 0.00 0.00 0.00 45 V 8.48 4.65 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 0.97 0.00 0.00 0.95 0.00 0.00 46 F 9.71 4.93 0.00 3.21 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 47 T 8.46 4.93 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 1.26 0.00 0.00 48 S 8.87 4.69 0.00 3.99 4.12 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 *50 R 7.90 3.03 0.00 1.61 1.87 0.00 2.84 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 51 L 7.47 4.23 0.00 1.49 1.42 0.29 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.58 4.62 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.39 0.94 0.00 0.00 53 L 8.87 4.35 0.00 1.40 1.31 -0.35 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.50 4.51 1.71 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 1.07 0.42 0.49 0.00 0.00 55 D 8.26 5.38 0.00 2.59 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 0.00 0.00 0.00 0.00 *57 Q 8.35 4.22 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.46 0.00 58 G 7.93 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 0.00 0.00 0.00 0.00 59 V 8.47 3.61 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 0.75 0.00 0.00 0.92 0.00 0.00 60 T 7.76 4.34 4.23 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 1.20 0.00 0.00 61 G 7.54 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 *64 V 8.01 3.83 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 0.12 0.00 0.00 0.88 0.00 0.00 65 S 8.63 4.53 0.00 3.82 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.67 0.00 2.79 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 67 H 9.08 4.79 0.00 3.08 3.12 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.70 4.87 0.00 3.76 3.72 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 69 I 8.69 4.30 1.68 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 0.97 0.76 0.84 0.00 0.00 70 P 0.00 4.31 0.00 1.89 1.93 0.00 3.62 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 2.06 0.00 71 Y 7.92 4.43 0.00 3.15 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 *73 A 7.99 4.19 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 74 I 7.82 4.42 2.15 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 1.10 0.00 0.00 75 V 8.60 4.12 2.20 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 0.79 0.00 0.00 1.15 0.00 0.00 76 H 8.01 5.19 0.00 3.10 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.16 5.69 0.00 3.16 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 78 Q 8.93 4.79 0.00 2.53 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 79 V 8.53 4.88 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 0.90 0.00 0.00 1.01 0.00 0.00 80 E 9.15 4.94 0.00 2.07 1.73 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 2.20 2.24 0.00 81 T 8.53 4.57 4.38 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 1.18 0.00 0.00 82 A 9.16 4.43 1.22 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 0.00 0.00 0.00 83 G 8.83 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.29 4.00 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 1.26 0.00 0.00 85 F 9.41 3.83 0.00 3.05 3.11 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 86 D 7.64 4.43 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 *88 D 7.84 4.60 0.00 2.77 2.67 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 89 A 8.84 5.23 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 90 E 9.40 4.78 0.00 1.96 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 2.16 2.20 0.00 91 L 8.12 5.56 0.00 1.78 1.55 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 L 8.21 4.39 0.00 1.63 1.69 0.97 0.94 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 94 W 9.29 4.86 0.00 3.13 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.32 5.17 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.96 0.00 0.00 96 S 8.80 4.28 0.00 3.86 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 97 G 9.08 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 0.00 0.00 0.00 98 Q 7.60 4.37 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 99 H 8.56 4.91 0.00 3.19 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.86 4.93 0.00 1.93 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 2.31 2.38 0.00 101 P 0.00 4.45 0.00 1.16 0.49 0.00 3.66 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 1.53 1.15 0.00 102 L 8.28 4.14 0.00 1.57 1.59 0.89 1.00 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 0.00 103 V 7.96 4.89 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 1.17 0.00 0.00 0.85 0.00 0.00 *105 E 8.50 4.18 0.00 1.94 1.94 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 2.22 2.36 0.00 106 L 8.92 4.66 0.00 1.49 1.52 0.81 0.53 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 *108 R 8.37 4.12 0.00 1.87 1.89 0.00 3.22 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 109 G 9.21 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 0.00 0.00 0.00 110 T 7.42 4.14 4.23 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 1.17 0.00 0.00 111 D 8.30 4.65 0.00 2.91 2.75 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 0.00 112 V 7.50 3.43 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 0.99 0.00 0.00 0.92 0.00 0.00 113 V 7.67 3.67 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 0.89 0.00 0.00 0.92 0.00 0.00 114 G 7.94 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 0.00 115 I 7.38 3.08 1.47 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.33 0.43 0.00 0.00 116 Q 7.44 4.17 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.39 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 *118 T 7.83 4.11 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 0.33 0.00 0.00 119 I 7.76 3.70 1.43 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 1.54 0.83 -0.13 0.00 0.00 120 A 7.86 4.12 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 0.00 121 R 7.76 3.85 0.00 1.61 1.63 0.00 3.10 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 122 Y 7.62 4.00 0.00 2.66 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 0.00 0.00 0.00 123 A 8.21 4.66 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 0.00 124 L 7.46 4.48 0.00 1.80 1.77 1.03 1.01 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 *125 G 7.93 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.