NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4839 8.4444 118.7889 56.2793 31.1611 174.4835 2 W 5.1738 9.1309 128.1874 55.9232 34.0570 173.8751 3 T 3.6503 9.2206 122.9025 66.7439 68.8023 174.4478 4 G 2.6618 5.3800 106.4775 44.7286 0.0000 173.1528 5 D 4.5209 7.5839 119.7980 54.6133 42.1153 176.4292 6 A 4.7491 8.3606 123.3753 50.4990 16.2963 176.6359 7 R 4.6377 7.6248 118.8033 54.0278 35.5847 173.9748 8 D 4.2219 8.5513 121.1318 54.4711 41.2561 176.2256 9 G 3.1682 7.5911 111.8661 46.6584 0.0000 173.0312 *11 F 5.0085 8.5600 122.1504 57.5492 40.5215 174.2428 12 S 4.7933 8.9141 119.1328 57.2899 65.2637 173.9392 13 G 3.7784 8.5989 109.2988 46.6261 0.0000 173.2661 14 V 4.2740 7.7024 120.0430 61.3604 33.0975 174.8756 15 V 4.1940 8.1668 128.1606 62.2540 32.8878 174.8929 16 I 4.6323 8.5864 129.4574 61.5408 36.9277 175.5444 17 T 4.8307 9.1937 117.6459 61.6487 70.4184 174.3738 18 Q 4.8045 8.0604 120.4665 54.5104 33.6403 173.7045 19 F 5.0797 8.4538 122.7719 57.3285 42.7185 172.8749 20 H 5.2587 9.3168 125.2788 54.6882 33.4352 171.8831 21 T 4.8332 8.3745 114.2500 60.4330 71.8019 173.6073 22 G 3.7469 7.3520 108.8143 45.8946 0.0000 171.4640 23 Q 5.0891 8.5801 119.5939 54.3430 32.5421 175.1126 24 I 4.5379 8.4809 122.9336 60.7229 41.3786 174.7242 25 D 4.0927 9.4953 126.7880 55.7010 38.1153 173.3758 26 N 4.2577 8.3385 110.6209 54.0379 37.9780 172.9480 27 K 4.5177 7.8040 115.6838 53.1138 35.2229 174.4194 28 P 4.8124 0.0000 0.0000 62.9364 32.2178 174.8277 29 Y 5.3319 8.3081 117.2822 55.5891 41.9187 173.6375 30 F 5.5874 9.4569 114.5104 55.5833 42.1905 172.8678 31 C 5.3978 9.6674 116.3334 55.2313 38.8860 173.2850 32 I 5.1397 8.5299 114.5395 59.1783 41.0482 173.7965 33 E 5.1036 8.9614 123.2763 54.8756 33.4118 174.3702 34 G 4.6751 8.7838 111.3175 45.2306 0.0000 171.4322 35 K 5.1722 8.3641 118.5647 54.2485 35.8739 176.7758 36 Q 4.7120 8.3980 123.0513 55.3273 29.6900 177.4775 37 S 4.0390 8.6085 114.2756 61.9965 62.4238 176.0594 38 A 3.9884 7.9418 121.1839 52.8119 18.0825 178.8155 39 G 3.8412 7.8175 103.6743 45.2888 0.0000 174.0075 40 S 3.9900 7.3699 116.0609 58.8076 63.5109 173.5377 41 S 4.8305 8.3529 120.3510 57.6250 63.4936 173.0955 42 I 4.5516 8.4156 125.7210 59.3606 41.2419 173.9233 43 S 5.5570 8.8243 123.6251 56.2389 66.0161 173.1241 44 A 4.9533 8.2313 122.1797 51.1789 22.6889 175.7653 45 C 5.3466 9.4964 117.0603 55.3675 40.0071 173.4476 46 S 4.8562 8.0251 116.1578 56.3018 65.9374 172.0350 *48 K 3.7105 8.3637 119.2297 57.3676 32.3844 175.7458 49 N 4.3887 9.1333 121.8230 54.0565 35.8600 174.3102 50 S 4.4380 7.3503 114.1413 57.9020 63.2436 173.6053 51 S 4.1143 8.1272 115.0064 60.9108 62.6817 175.1887 52 V 3.5835 7.7137 120.7727 64.9054 31.9410 177.3458 53 W 4.6811 7.7286 117.1924 56.4372 29.6122 178.0844 54 G 3.8246 8.2503 107.3984 47.3655 0.0000 175.8393 55 A 4.2270 8.1806 121.6926 54.4855 18.7277 178.5634 56 S 4.6720 8.0747 112.5410 58.6474 63.4314 175.7843 57 F 4.4966 8.0974 125.8332 61.0866 39.0860 177.2165 58 S 4.0442 8.2681 111.8043 61.5976 62.2915 176.0089 59 T 3.8943 7.9136 117.9359 66.7722 68.3192 176.6032 60 L 4.1394 8.2505 120.9637 57.7506 41.5487 178.9617 61 Y 3.0218 8.1391 119.6844 60.3964 38.5992 177.5962 62 N 3.9966 7.7794 116.7979 56.4857 38.6386 177.2807 63 Q 3.6041 8.2231 119.0007 58.8523 28.7950 178.8658 64 A 4.2724 8.4516 121.9359 55.2988 18.5193 179.4726 65 L 3.5933 7.8812 119.0274 58.0850 42.0370 178.1580 66 Y 3.8704 7.9396 119.6637 61.0919 38.6433 178.5063 67 F 4.6564 8.4724 118.7348 60.7241 38.7745 177.0534 68 Y 4.3489 8.4638 119.0252 60.9852 38.6483 178.1354 69 T 3.7348 7.6877 115.7993 66.8395 68.6895 176.6489 70 T 3.9468 7.5995 110.1597 62.4247 68.8749 175.5895 71 G 3.8384 7.7541 108.3275 45.7687 0.0000 173.5130 72 Q 4.3671 7.6580 117.0635 54.9818 29.5678 174.0270 73 P 4.7317 0.0000 0.0000 62.8880 32.6330 175.5306 74 V 4.4832 8.5788 115.1733 59.6924 36.9643 173.8728 75 R 4.8585 9.0378 122.5561 55.2880 31.5370 174.8272 76 I 4.7832 8.6843 127.9899 60.0965 38.8264 174.5744 77 Y 4.8657 8.8795 125.4711 56.5555 39.9636 174.5481 78 Y 5.2049 8.4778 120.9283 55.2696 42.6232 173.6628 79 E 4.6130 8.7341 121.1972 53.4092 32.0096 173.6083 80 P 4.8299 0.0000 0.0000 62.8863 32.4413 176.2669 81 G 3.8670 8.7184 108.0157 46.6602 0.0000 175.4536 82 V 3.5038 7.6608 120.4662 64.7469 31.6387 176.7463 83 W 4.8203 7.2349 118.3837 56.4277 29.6099 176.1648 84 T 4.5884 8.4009 109.7763 60.5284 69.9709 173.7879 85 Y 4.3631 8.0214 124.3704 57.0730 39.5731 173.7693 86 P 4.2166 0.0000 0.0000 65.3852 31.5635 176.8467 87 P 4.0986 0.0000 0.0000 65.1432 31.1154 178.4676 88 F 3.8544 7.9731 119.1552 61.2228 39.2295 177.1167 89 V 3.9237 7.8352 116.4376 65.9420 31.4050 177.5229 90 K 4.0129 7.9629 117.8778 59.6356 32.1845 178.3889 91 A 4.1328 7.8206 119.2756 52.1905 18.5548 177.9015 92 L 4.2094 7.8286 112.4608 54.4972 42.5347 177.7201 93 T 4.4012 8.5226 113.2410 62.0426 70.8570 171.8893 94 S 4.7466 8.4501 118.7967 59.7134 64.8462 173.5076 95 N 4.9571 8.5379 119.9141 53.6186 39.2347 174.1891 96 A 4.8099 8.6424 126.7824 51.3123 20.2785 175.8716 97 L 4.6153 8.8750 124.9598 54.8571 42.4651 176.8700 98 V 3.9291 8.3930 118.2842 60.2167 33.2673 175.5430 99 G 4.0076 7.5044 107.3389 46.1414 0.0000 172.2262 100 L 6.2000 8.5007 118.7934 52.8565 46.1610 175.9663 101 S 5.0937 8.6220 115.9107 57.1528 67.8231 173.8610 102 T 4.2949 8.7885 112.5619 62.0325 70.1784 173.7225 103 C 5.4313 8.5293 118.9439 55.6956 43.4387 174.1091 104 T 4.1720 8.9511 111.8852 62.5841 69.7831 174.1982 105 T 4.8264 7.3730 110.6182 59.7396 71.4189 173.0189 106 S 4.3298 8.7341 114.4578 60.6443 63.5319 174.6772 107 T 4.4167 7.8768 109.2350 61.3250 70.6226 173.8759 108 E 4.6757 8.4059 122.7174 54.6481 31.1630 174.3672 109 C 5.2606 8.3272 119.5657 54.9350 44.5734 173.3359 110 F 4.5450 8.7607 124.8252 57.9385 39.4059 174.6706 111 G 3.8439 8.2521 113.0363 42.1845 0.0000 171.1034 112 P 4.4749 0.0000 0.0000 62.5043 31.9230 175.2872 113 D 4.6190 8.2897 119.0102 53.5995 41.7548 176.5544 114 R 4.5498 8.5853 123.4217 53.8419 31.4570 173.9741 115 K 4.6333 7.9663 123.3177 55.3658 36.0136 175.2558 116 K 3.9689 8.7575 121.8955 57.1245 32.6670 175.6407 117 N 4.0393 9.2657 121.6060 54.5442 39.0365 175.0722 118 S 4.0022 8.6938 117.4984 58.7200 64.7644 171.8250 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 E 8.44 4.48 0.00 1.95 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 1.94 1.47 0.00 2 W 9.13 5.17 0.00 3.26 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 3 T 9.22 3.65 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 0.42 0.00 0.00 4 G 5.38 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 0.00 0.00 0.00 5 D 7.58 4.52 0.00 2.64 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 6 A 8.36 4.75 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 7 R 7.62 4.64 0.00 1.64 1.68 0.00 3.16 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 8 D 8.55 4.22 0.00 2.41 2.39 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 9 G 7.59 3.17 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 *11 F 8.56 5.01 0.00 3.06 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 12 S 8.91 4.79 0.00 3.82 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 13 G 8.60 3.78 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 0.00 0.00 0.00 14 V 7.70 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 1.05 0.00 0.00 1.00 0.00 0.00 15 V 8.17 4.19 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 0.90 0.00 0.00 0.92 0.00 0.00 16 I 8.59 4.63 2.16 0.00 0.00 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 1.57 0.81 1.25 0.00 0.00 17 T 9.19 4.83 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 1.26 0.00 0.00 18 Q 8.06 4.80 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 19 F 8.45 5.08 0.00 2.44 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 20 H 9.32 5.26 0.00 3.27 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.37 4.83 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 1.54 0.00 0.00 22 G 7.35 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 0.00 0.00 0.00 23 Q 8.58 5.09 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 I 8.48 4.54 1.95 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 1.11 1.15 0.65 0.00 0.00 25 D 9.50 4.09 0.00 2.73 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 26 N 8.34 4.26 0.00 2.79 2.85 0.00 0.00 7.04 6.68 0.00 0.00 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 K 7.80 4.52 0.00 1.80 1.60 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 28 P 0.00 4.81 0.00 2.02 1.93 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 29 Y 8.31 5.33 0.00 3.01 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 30 F 9.46 5.59 0.00 3.31 3.31 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 31 C 9.67 5.40 0.00 2.83 2.94 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 32 I 8.53 5.14 1.95 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 1.28 0.82 0.81 0.00 0.00 33 E 8.96 5.10 0.00 2.01 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 2.36 2.36 0.00 34 G 8.78 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 5.17 0.00 1.64 1.61 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.36 7.81 36 Q 8.40 4.71 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.21 0.00 37 S 8.61 4.04 0.00 3.84 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 38 A 7.94 3.99 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 39 G 7.82 3.84 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 0.00 0.00 0.00 40 S 7.37 3.99 0.00 3.73 3.33 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 0.00 0.00 0.00 0.00 41 S 8.35 4.83 0.00 3.79 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 42 I 8.42 4.55 1.59 0.00 0.00 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 1.00 1.73 0.93 0.00 0.00 43 S 8.82 5.56 0.00 3.73 3.70 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 44 A 8.23 4.95 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 45 C 9.50 5.35 0.00 3.01 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 46 S 8.03 4.86 0.00 3.78 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 *48 K 8.36 3.71 0.00 0.79 1.21 0.00 1.42 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.31 7.81 49 N 9.13 4.39 0.00 2.88 2.91 0.00 0.00 7.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.35 4.44 0.00 4.40 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 51 S 8.13 4.11 0.00 3.87 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 52 V 7.71 3.58 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 0.01 0.00 0.00 0.84 0.00 0.00 53 W 7.73 4.68 0.00 3.53 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 54 G 8.25 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 55 A 8.18 4.23 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 56 S 8.07 4.67 0.00 4.33 4.13 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 57 F 8.10 4.50 0.00 3.35 3.27 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 58 S 8.27 4.04 0.00 4.10 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 59 T 7.91 3.89 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 1.26 0.00 0.00 60 L 8.25 4.14 0.00 2.04 2.08 1.12 0.78 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 61 Y 8.14 3.02 0.00 2.22 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.78 4.00 0.00 2.87 2.75 0.00 0.00 7.10 8.69 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 63 Q 8.22 3.60 0.00 2.28 2.11 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 2.57 0.00 64 A 8.45 4.27 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.88 3.59 0.00 0.94 1.14 0.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.94 3.87 0.00 2.98 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 67 F 8.47 4.66 0.00 3.28 3.05 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 68 Y 8.46 4.35 0.00 3.16 3.17 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 69 T 7.69 3.73 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 1.03 0.00 0.00 70 T 7.60 3.95 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 0.83 0.00 0.00 71 G 7.75 3.84 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 0.00 0.00 0.00 72 Q 7.66 4.37 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 73 P 0.00 4.73 0.00 2.06 2.06 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 74 V 8.58 4.48 1.84 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 -0.19 0.00 0.00 0.94 0.00 0.00 75 R 9.04 4.86 0.00 1.75 1.75 0.00 2.74 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.34 0.00 76 I 8.68 4.78 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 1.07 0.00 0.00 77 Y 8.88 4.87 0.00 2.98 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 78 Y 8.48 5.20 0.00 3.07 2.96 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 79 E 8.73 4.61 0.00 1.46 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 80 P 0.00 4.83 0.00 2.16 2.27 0.00 3.42 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 2.02 2.04 0.00 81 G 8.72 3.87 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 0.00 0.00 0.00 82 V 7.66 3.50 1.13 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 -0.27 0.00 0.00 0.80 0.00 0.00 83 W 7.23 4.82 0.00 3.34 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 84 T 8.40 4.59 4.31 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 1.25 0.00 0.00 85 Y 8.02 4.36 0.00 3.01 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 86 P 0.00 4.22 0.00 2.02 2.02 0.00 3.39 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 87 P 0.00 4.10 0.00 1.89 1.96 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.82 0.00 88 F 7.97 3.85 0.00 3.37 3.32 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 89 V 7.84 3.92 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 0.92 0.00 0.00 1.23 0.00 0.00 90 K 7.96 4.01 0.00 1.89 1.92 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 91 A 7.82 4.13 1.17 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 92 L 7.83 4.21 0.00 1.02 1.10 0.10 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.52 4.40 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 1.41 0.00 0.00 94 S 8.45 4.75 0.00 4.09 4.18 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 95 N 8.54 4.96 0.00 2.82 2.88 0.00 0.00 6.72 7.08 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 96 A 8.64 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.87 4.62 0.00 1.63 1.59 1.12 1.03 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 98 V 8.39 3.93 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 0.00 0.00 -0.76 0.00 0.00 0.53 0.00 0.00 99 G 7.50 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 0.00 0.00 0.00 100 L 8.50 6.20 0.00 1.84 1.95 1.24 1.23 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 0.00 101 S 8.62 5.09 0.00 3.88 3.97 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 0.00 102 T 8.79 4.29 4.29 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 0.00 0.00 0.00 1.51 0.00 0.00 103 C 8.53 5.43 0.00 2.91 3.29 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 0.00 0.00 0.00 0.00 104 T 8.95 4.17 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 1.23 0.00 0.00 105 T 7.37 4.83 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 1.22 0.00 0.00 106 S 8.73 4.33 0.00 4.00 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 0.00 107 T 7.88 4.42 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 1.22 0.00 0.00 108 E 8.41 4.68 0.00 2.01 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 2.25 2.41 0.00 109 C 8.33 5.26 0.00 2.90 3.14 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 0.00 110 F 8.76 4.55 0.00 2.93 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 0.00 111 G 8.25 3.84 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 0.00 0.00 0.00 112 P 0.00 4.47 0.00 1.72 1.92 0.00 3.61 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 1.51 1.58 0.00 113 D 8.29 4.62 0.00 2.54 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 0.00 114 R 8.59 4.55 0.00 1.99 1.73 0.00 3.38 0.00 0.00 3.36 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 115 K 7.97 4.63 0.00 1.72 1.70 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.24 7.81 116 K 8.76 3.97 0.00 1.61 1.79 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.57 7.81 117 N 9.27 4.04 0.00 2.59 2.83 0.00 0.00 7.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.69 4.00 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.