NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.5351 8.3349 115.5521 57.2062 64.6847 173.2060 6 P 4.3026 0.0000 0.0000 62.6047 32.6779 173.7862 7 I 4.8584 9.2645 125.0247 59.8907 40.0766 174.2052 8 I 4.8955 9.3909 129.4663 59.6133 39.1629 174.6305 9 W 5.1969 9.6315 135.0000 55.7240 32.8998 174.5908 10 I 5.1190 8.6930 128.8728 59.7858 39.4807 174.2084 11 N 5.4584 9.1093 126.9973 51.8274 40.7906 173.9922 12 G 4.5875 8.2677 110.3171 44.6522 0.0000 171.4694 13 P 4.6182 0.0000 0.0000 62.7845 32.6804 176.7324 14 F 3.9590 7.6733 118.6436 59.9649 37.4472 176.2461 *19 T 4.1974 7.8640 119.9536 62.7771 70.3156 174.7242 20 H 4.3978 7.6248 117.9146 58.6543 29.3068 177.8655 21 T 3.8178 7.8790 117.0414 66.5635 68.3267 175.8624 22 A 4.0018 8.0933 122.0758 55.6559 18.2248 178.8636 23 H 4.0981 7.7624 115.7639 59.8947 29.7387 177.4124 24 T 3.9546 8.0060 116.3256 66.7663 68.5717 176.2759 25 L 4.1216 8.2104 120.9918 57.8487 41.5059 178.8649 26 H 4.3692 8.4640 119.9359 58.9211 29.6292 177.2203 27 E 3.9433 8.3003 118.6981 58.2625 29.4291 177.9176 28 R 4.4791 7.6269 115.7116 55.5921 31.2351 175.2278 29 L 4.7403 7.4843 119.9415 51.6307 42.0943 173.6475 30 P 4.4128 0.0000 0.0000 63.8292 31.6634 177.4621 31 G 4.0142 9.0195 110.6247 45.0782 0.0000 173.3795 32 S 4.7923 7.8288 114.7144 58.2529 64.9635 173.0761 33 F 4.8953 8.9740 122.3888 56.6617 42.9719 173.5335 34 V 4.2937 7.5449 126.0884 61.7080 31.6845 174.8447 35 F 4.4979 9.0864 132.4521 57.3456 40.7480 174.6132 36 E 4.6831 8.2257 126.9099 53.8992 29.5171 174.8790 37 P 4.4436 0.0000 0.0000 65.1644 31.8925 178.1804 38 E 4.1912 8.3885 116.0290 59.2692 29.4736 179.2560 39 E 4.1503 8.2791 118.3669 56.6893 29.4179 179.0919 *41 G 3.9462 8.2573 109.8132 45.8416 0.0000 176.0949 42 Q 3.9911 8.3125 119.2639 58.3136 28.4166 178.7842 43 A 3.9470 7.7366 121.8087 55.2805 18.2853 179.7613 44 L 3.8105 7.7505 115.8528 57.5845 41.9895 179.4106 45 R 3.3809 7.8022 116.2049 59.1676 29.1271 179.1337 46 K 4.1929 7.6934 117.7714 57.9326 32.1312 178.2370 47 L 4.6049 7.2293 117.2225 53.5650 42.5153 175.9976 48 T 4.5890 6.9504 116.0927 60.6934 70.4333 172.0498 49 P 4.2757 0.0000 0.0000 63.7398 31.8494 176.5059 50 G 3.9390 8.9339 109.7328 46.0837 0.0000 173.2104 51 F 4.3031 7.7715 120.8063 57.7787 39.8208 174.6308 52 S 4.2459 7.2702 120.5601 57.3158 66.0925 174.0270 53 G 3.5376 8.1820 106.8795 44.0487 0.0000 171.7680 54 D 4.3796 8.3772 118.4821 53.5493 41.6401 175.9425 55 P 4.4399 0.0000 0.0000 66.0760 31.4559 177.8490 56 Q 2.9424 7.8181 113.7486 56.4181 28.2811 176.2580 57 E 4.4742 7.9393 117.2459 56.1337 30.0956 175.8167 58 H 4.4385 8.2383 120.5957 55.6413 30.1715 174.5883 59 P 4.3535 0.0000 0.0000 62.6773 31.1651 177.4636 *61 W 4.9393 8.2422 128.3126 57.7256 32.2449 176.8911 62 I 3.2444 8.2845 117.1153 63.8618 36.9371 175.7716 63 P 4.3716 0.0000 0.0000 65.6944 31.5219 177.0073 64 L 4.4582 7.3190 118.5672 55.0997 41.8339 178.8795 *66 L 4.2520 8.0267 120.4606 55.0182 44.0148 179.0977 67 D 4.3490 8.3450 118.2160 57.4552 40.7444 178.6076 68 A 4.1358 8.1492 121.0461 55.2740 18.3329 179.3483 69 L 3.3899 8.0546 118.1712 58.1350 41.9074 178.6812 70 Q 3.9024 8.0251 118.4025 59.4097 29.2004 177.5058 71 Y 4.0665 8.0508 120.0292 60.6688 38.8912 177.5672 72 A 3.9756 8.6349 122.1556 55.3665 18.5822 179.3817 73 S 3.9928 8.3767 111.8061 61.8360 62.2120 176.8189 74 R 3.9575 7.4920 118.9206 58.4618 29.8393 177.9344 75 E 4.1778 7.3200 115.5609 55.5776 30.3186 176.3466 76 A 4.0361 6.9259 121.8210 51.8173 19.0990 177.3559 77 A 4.0817 8.7588 126.8221 54.8135 19.1740 177.6214 78 G 4.4922 7.3807 102.0870 43.5685 0.0000 170.8217 79 P 4.7579 0.0000 0.0000 62.7253 32.9665 175.3314 80 L 4.9989 8.9715 125.9272 54.0399 43.7908 175.0299 81 I 4.8470 8.8542 127.9908 59.7426 39.5894 174.9086 82 V 4.9932 9.2908 127.9187 59.2403 33.4328 172.1386 83 P 4.9137 0.0000 0.0000 62.4981 32.2968 176.0137 84 V 4.5072 8.7253 116.3725 59.7175 36.5497 174.7757 85 S 4.7632 8.5593 115.8147 55.4946 63.4024 172.2407 86 I 4.7521 9.7172 126.0699 59.1129 40.2315 175.8884 87 S 4.5412 8.6863 117.6378 58.5481 65.1545 174.4453 88 D 4.5790 8.1504 121.2480 54.1047 41.8958 176.5943 89 T 3.6689 8.2447 124.5582 66.5579 68.4958 176.6380 90 A 3.9968 7.9995 122.2026 55.2319 18.5240 179.7498 91 R 3.9961 9.7129 117.6770 59.5719 29.9118 178.6573 92 H 4.2415 8.4038 117.3919 59.4608 29.9238 176.9672 93 R 3.9033 7.8989 119.1171 59.2789 30.1033 178.2951 94 R 4.1252 8.0092 117.9154 59.2245 30.0989 179.6193 95 L 4.0605 7.8750 115.0346 55.8294 41.3512 179.0464 *97 S 4.3103 8.1304 116.5182 58.2301 65.1431 176.0825 98 G 3.5767 8.3650 108.1571 47.5756 0.0000 175.5170 99 L 3.8258 7.7173 121.3777 57.2790 41.5898 179.3860 100 K 3.7501 7.8430 118.8052 59.8299 31.9237 177.9158 101 D 4.4069 7.9373 117.7785 57.5955 40.8643 178.6091 102 R 4.3643 7.4894 114.6664 55.3840 30.2149 176.7947 103 G 3.8432 8.0186 106.9560 46.3326 0.0000 173.4361 104 L 4.4166 8.0546 119.9895 52.6029 42.8873 176.0530 105 S 4.5385 8.5172 118.4077 56.5874 63.3976 173.1716 106 V 4.4498 7.9176 120.4771 59.7764 34.8523 175.7285 107 H 4.4752 9.1477 121.8480 55.2570 29.4768 173.6069 108 H 5.5493 7.9560 119.6154 53.7725 30.9836 173.7358 109 F 5.5430 9.4288 120.0305 56.0484 43.7042 173.7425 110 T 5.2096 9.1561 118.3252 61.7547 71.5822 173.2443 111 L 4.6108 9.0374 127.8584 54.6467 42.6833 176.8952 112 I 4.2304 9.0183 126.2474 60.1323 37.8286 174.5534 113 A 5.2268 8.0167 128.2896 48.2325 21.6890 174.5247 114 P 4.2936 0.0000 0.0000 62.2366 32.3905 177.3172 115 L 3.9135 8.8346 124.2541 58.5865 41.7882 179.2869 116 N 4.3431 8.1238 116.2507 55.9274 37.3056 177.2157 117 V 3.6250 7.7668 120.1263 65.7317 31.7380 178.1031 118 V 3.8018 7.8652 118.0096 66.0674 31.3776 178.0457 119 L 4.0403 8.2698 119.1184 57.8975 41.5556 179.4218 120 E 4.0341 8.6272 118.9494 59.3580 29.1470 179.5977 121 R 3.9626 7.9479 117.3555 59.3455 30.2483 178.8998 122 L 4.1703 7.9010 117.5788 57.6132 41.4194 179.4154 123 R 4.1638 7.8977 117.9212 58.8921 29.9597 178.5083 124 R 4.2274 7.8007 114.9288 57.6033 29.9529 176.5421 125 D 4.8977 7.4845 114.9644 54.8485 43.3700 177.1142 *130 V 3.7331 7.4175 117.3261 61.0263 31.8734 174.2859 131 N 4.5473 8.3040 124.1124 52.4716 39.6237 175.6810 132 V 3.6945 8.7844 125.8731 66.3534 31.4436 177.9558 133 G 3.7508 7.8756 104.1997 48.2440 0.0000 175.7999 134 T 3.9191 8.0642 117.9525 66.1361 68.4573 177.2339 135 V 3.5088 7.6392 119.7475 66.0492 31.6381 177.5191 136 E 3.9100 8.6172 119.4278 59.3072 29.4156 178.3968 137 D 4.3346 8.3141 119.1212 57.3693 40.9195 178.7936 138 R 3.8536 7.7730 118.5600 59.5000 29.7666 178.6172 139 L 3.9233 7.9997 118.7741 57.7235 41.3352 179.2252 140 N 4.3302 8.2188 116.0240 56.2235 38.7946 176.7027 141 E 4.1492 8.3078 120.6785 59.4014 29.5634 178.9161 142 L 3.5971 7.7246 117.6607 57.4381 41.6769 179.0532 143 R 4.0931 7.5790 115.7903 56.3934 30.6241 177.2819 144 G 4.2201 7.7453 108.7558 44.8879 0.0000 174.8277 145 E 4.2609 8.8071 120.9970 58.2494 30.0359 179.0990 146 Q 4.0138 8.1424 116.8611 58.1764 28.6917 177.3883 147 F 4.7530 7.8731 116.4491 56.9113 39.3193 175.9811 148 Q 4.0499 7.7154 119.3741 56.4505 29.0108 175.9909 149 T 4.3245 8.0789 116.6824 63.5227 69.8095 173.8540 150 H 5.1701 8.8512 123.5969 55.6282 30.1814 174.8833 151 I 4.5368 8.8765 122.9934 59.5959 40.2061 174.1729 152 D 5.0289 8.8661 127.5970 53.5518 41.8267 175.9348 153 T 4.3293 8.5830 115.3323 60.8591 69.5667 174.1405 154 A 3.8851 8.2758 126.1417 54.4374 18.4527 178.1794 155 G 3.9538 9.0308 110.4052 45.5595 0.0000 172.7959 156 L 4.8060 8.0137 119.5675 52.6539 43.9674 177.4043 157 G 3.9757 8.8671 110.0495 43.8147 0.0000 175.0316 158 T 3.8759 8.2953 110.3850 64.7062 68.4906 176.3267 159 Q 3.9124 7.9458 121.8438 59.2490 29.2111 178.0595 160 Q 4.1595 8.0017 118.6014 58.8174 28.6811 178.7288 161 V 3.5243 8.0221 119.2423 65.8705 31.4991 177.9039 162 A 3.9311 8.0526 120.4621 55.2709 18.1336 179.5047 163 E 3.8811 8.1106 117.0663 59.4462 29.5313 179.3150 164 Q 3.9011 8.1780 119.6499 59.2290 29.1258 178.5299 165 I 3.2125 7.8444 120.6712 64.1234 37.1087 178.1815 166 A 3.9458 8.2500 121.7722 55.1496 18.0361 179.4299 167 A 3.9441 8.2177 119.4015 55.5342 18.2255 179.8811 168 Q 4.0213 7.9011 115.2929 58.9743 28.9534 178.7267 169 V 4.0350 7.7229 110.3812 61.0751 31.9456 176.6055 170 G 3.8613 7.7592 106.9102 46.1867 0.0000 173.2436 171 L 4.7068 7.7707 118.4437 52.7193 43.8262 176.3670 172 T 4.3840 8.2887 119.2139 62.4167 69.4545 174.4213 173 L 4.6511 8.3003 126.4352 53.6370 42.7844 176.7895 174 A 4.3399 8.7859 125.5131 51.1838 19.1361 175.6334 175 P 4.4423 0.0000 0.0000 61.6831 32.6154 174.8583 176 P 4.3840 0.0000 0.0000 63.0814 31.2308 176.5223 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 S 8.33 4.54 0.00 3.92 3.95 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 0.00 0.00 0.00 6 P 0.00 4.30 0.00 2.25 2.11 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 7 I 9.26 4.86 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 1.37 0.82 1.09 0.00 0.00 8 I 9.39 4.90 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 1.15 0.00 0.00 9 W 9.63 5.20 0.00 3.47 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 10 I 8.69 5.12 1.94 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 1.33 0.84 1.01 0.00 0.00 11 N 9.11 5.46 0.00 3.05 2.92 0.00 0.00 6.70 7.91 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 12 G 8.27 4.59 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 13 P 0.00 4.62 0.00 1.80 1.87 0.00 3.14 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.42 0.00 14 F 7.67 3.96 0.00 3.08 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 *19 T 7.86 4.20 4.19 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 0.86 0.00 0.00 20 H 7.62 4.40 0.00 3.13 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.88 3.82 4.27 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 1.21 0.00 0.00 22 A 8.09 4.00 1.33 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 0.00 0.00 23 H 7.76 4.10 0.00 3.38 3.52 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.01 3.95 4.36 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 1.20 0.00 0.00 25 L 8.21 4.12 0.00 1.87 1.74 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.46 4.37 0.00 3.28 3.50 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.30 3.94 0.00 2.00 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 2.20 2.27 0.00 28 R 7.63 4.48 0.00 1.81 2.03 0.00 3.16 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 29 L 7.48 4.74 0.00 1.72 1.60 0.99 1.06 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 30 P 0.00 4.41 0.00 2.04 1.99 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 31 G 9.02 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 32 S 7.83 4.79 0.00 4.18 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 33 F 8.97 4.90 0.00 3.08 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 34 V 7.54 4.29 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 0.71 0.00 0.00 0.73 0.00 0.00 35 F 9.09 4.50 0.00 3.47 2.93 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 36 E 8.23 4.68 0.00 1.93 1.98 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 2.21 2.13 0.00 37 P 0.00 4.44 0.00 2.45 2.36 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 38 E 8.39 4.19 0.00 2.11 2.23 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 2.36 2.27 0.00 39 E 8.28 4.15 0.00 1.94 1.96 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 2.42 2.31 0.00 *41 G 8.26 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.31 3.99 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 43 A 7.74 3.95 1.29 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 0.00 0.00 44 L 7.75 3.81 0.00 1.42 1.22 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.80 3.38 0.00 2.10 2.01 0.00 2.89 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 46 K 7.69 4.19 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.61 7.81 47 L 7.23 4.60 0.00 1.49 1.67 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 T 6.95 4.59 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 1.33 0.00 0.00 49 P 0.00 4.28 0.00 2.07 2.02 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 50 G 8.93 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 51 F 7.77 4.30 0.00 3.15 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 52 S 7.27 4.25 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 53 G 8.18 3.54 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 0.00 0.00 0.00 54 D 8.38 4.38 0.00 2.64 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 55 P 0.00 4.44 0.00 2.11 2.18 0.00 3.62 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 56 Q 7.82 2.94 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 1.30 1.86 0.00 57 E 7.94 4.47 0.00 2.08 2.01 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 2.32 2.34 0.00 58 H 8.24 4.44 0.00 3.18 3.33 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.35 0.00 2.13 2.14 0.00 3.59 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 2.05 2.14 0.00 *61 W 8.24 4.94 0.00 3.41 3.47 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 62 I 8.28 3.24 1.97 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 1.60 1.08 0.90 0.00 0.00 63 P 0.00 4.37 0.00 2.21 2.31 0.00 3.75 0.00 0.00 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0.00 144 G 7.75 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 0.00 0.00 0.00 0.00 145 E 8.81 4.26 0.00 2.05 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 2.46 2.29 0.00 146 Q 8.14 4.01 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.86 0.00 0.00 0.00 0.00 0.00 1.54 1.92 0.00 147 F 7.87 4.75 0.00 3.45 3.04 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 0.00 148 Q 7.72 4.05 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 149 T 8.08 4.32 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 1.46 0.00 0.00 150 H 8.85 5.17 0.00 3.10 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.88 4.54 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.88 0.00 0.00 152 D 8.87 5.03 0.00 2.65 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 0.00 153 T 8.58 4.33 4.30 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 1.27 0.00 0.00 154 A 8.28 3.89 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 0.00 155 G 9.03 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.01 4.81 0.00 1.70 1.57 0.97 1.01 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 0.00 157 G 8.87 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 0.00 0.00 0.00 158 T 8.30 3.88 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 1.18 0.00 0.00 159 Q 7.95 3.91 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 160 Q 8.00 4.16 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 161 V 8.02 3.52 2.19 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 1.07 0.00 0.00 1.01 0.00 0.00 162 A 8.05 3.93 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 0.00 163 E 8.11 3.88 0.00 2.17 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 2.31 2.37 0.00 164 Q 8.18 3.90 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 165 I 7.84 3.21 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.41 0.59 0.00 0.00 166 A 8.25 3.95 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 0.00 167 A 8.22 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 0.00 168 Q 7.90 4.02 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 169 V 7.72 4.03 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 0.98 0.00 0.00 1.03 0.00 0.00 170 G 7.76 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 0.00 0.00 0.00 171 L 7.77 4.71 0.00 1.63 1.58 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.29 4.38 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 0.00 173 L 8.30 4.65 0.00 1.52 1.57 0.90 0.85 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 0.00 174 A 8.79 4.34 1.25 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 0.00 0.00 175 P 0.00 4.44 0.00 2.08 2.06 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 176 P 0.00 4.38 0.00 2.05 2.00 0.00 3.69 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 2.01 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.