NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.8197 8.4104 110.3422 62.5192 70.2744 172.4993 4 A 3.8589 8.7879 127.4867 52.7085 16.6163 177.3763 5 Y 4.2989 8.6873 111.0856 58.1391 39.2562 174.3618 6 D 4.7456 7.8901 121.8787 55.7749 42.5175 178.7801 7 V 3.6727 7.7555 118.9030 65.4316 32.8587 175.8161 8 I 4.4204 7.6596 121.4878 60.5723 37.1070 175.8487 9 L 4.5025 9.0827 128.0294 56.7597 42.4943 176.9049 10 A 4.8272 7.9364 117.7219 50.6163 22.6041 173.2233 11 P 4.5552 0.0000 0.0000 62.3871 32.3689 176.6930 12 V 3.0183 7.6265 115.5996 63.8432 31.1537 175.5452 13 L 3.5785 9.0241 118.2734 55.1786 37.5837 174.2051 14 S 4.5335 6.1230 113.8067 55.7074 67.2358 175.0000 15 E 4.0235 8.8464 123.8850 59.9333 28.9778 179.4358 16 K 3.8474 7.7864 117.3554 59.0107 32.4166 177.9678 17 A 3.7681 7.5375 121.2614 55.3740 18.2735 179.3388 18 Y 2.6472 6.9687 114.3760 60.8480 38.0553 178.2654 19 A 4.0448 7.9037 121.7587 55.2942 18.1450 179.7056 20 G 3.5403 7.4766 102.3306 47.1981 0.0000 175.6836 21 F 4.1423 8.4340 119.3964 59.4382 38.8520 176.7514 22 A 4.1120 7.2797 119.9403 56.8678 18.6742 177.9368 23 E 4.3593 7.9528 117.3046 55.9564 32.3057 176.6931 24 G 3.9483 7.7920 102.9684 46.8927 0.0000 175.4066 25 K 5.6878 7.2254 117.3830 53.8197 33.0383 176.0294 26 Y 4.6039 8.1634 121.0329 56.8732 40.2349 173.8885 27 T 5.2150 8.4079 117.5630 60.4213 70.4203 172.6159 28 F 5.0466 9.6444 126.1703 55.3455 44.0564 173.9118 29 W 4.9056 9.3605 122.0280 56.6708 29.7844 176.0600 30 V 4.9936 8.4315 117.7755 59.1059 34.9946 175.2051 31 H 4.0760 9.0225 122.9199 56.3672 29.9512 174.2222 32 P 4.3322 0.0000 0.0000 65.7402 30.9712 176.4517 33 K 4.4062 7.7249 116.3164 56.4160 32.4551 176.4115 34 A 5.2762 7.7757 121.6997 50.8467 20.3471 178.0098 35 T 4.6944 7.9715 108.1154 59.2637 72.6654 174.9350 36 K 3.9606 8.7918 123.3993 60.3536 31.6641 179.2704 37 T 3.9604 7.8470 115.5244 66.3042 68.6178 176.4880 38 E 3.8139 7.8173 118.0723 58.8569 30.0319 178.9882 39 I 3.7548 8.8940 121.9242 64.5358 37.0867 177.0014 40 K 3.9358 7.9235 121.2239 58.5894 31.8426 177.9357 41 N 4.4141 8.1426 117.0079 56.9183 38.7060 176.5564 42 A 3.8379 7.7343 121.7903 55.0542 18.3277 179.6754 43 V 3.5299 7.8924 114.6374 66.0359 31.4904 178.0500 44 E 4.0063 8.4504 119.5985 59.0845 29.1032 178.0479 45 T 4.4080 7.6256 106.0382 61.6463 69.8298 175.6385 46 A 3.9584 7.4600 123.5242 53.6086 18.9502 178.0264 47 F 4.5092 7.9232 113.4473 57.1755 39.8804 177.0053 48 K 4.0693 7.9232 116.8314 57.2958 28.7693 172.7664 49 V 4.5469 7.6389 112.7254 60.0036 36.6125 174.9873 50 K 4.5122 8.6908 121.9277 55.2389 34.5846 175.9419 51 V 4.5509 8.2975 128.2428 62.1693 32.1520 175.6793 52 V 4.4234 9.3853 126.6413 62.5105 33.1411 174.9554 53 K 4.5692 7.5722 118.8338 56.1933 35.3976 173.9834 54 V 4.8267 8.3591 125.0692 61.2827 35.0498 174.2173 55 N 5.2602 8.9887 123.0753 51.8025 42.8043 173.5395 56 T 5.2886 8.4881 112.1411 60.0412 72.1614 172.8443 57 L 4.8372 8.5969 122.3327 54.8470 44.3844 174.7255 58 H 5.1724 8.7787 116.6968 54.7034 31.4665 175.3728 59 V 4.3042 9.6783 120.6877 60.5979 33.2922 172.8974 60 R 4.7764 8.2834 124.9583 55.3808 30.6873 176.2152 61 G 3.7364 8.8510 111.7075 45.6454 0.0000 171.8708 62 K 4.0714 8.9262 125.3173 56.5394 33.0885 176.4478 63 K 4.5077 8.6613 124.2348 56.9372 33.6468 176.3728 64 K 4.7975 9.1644 121.5982 54.8736 36.9086 175.0857 65 R 5.4332 8.4513 120.9922 53.7563 33.6163 175.1959 66 L 4.4032 8.4043 125.5297 55.4039 44.3464 175.4184 67 G 4.1957 8.5051 118.2824 46.2882 0.0000 172.8801 68 R 4.2572 7.8278 119.9750 55.7829 29.7195 176.4133 69 Y 4.5886 6.9268 118.9683 56.6633 36.9139 173.5464 70 L 4.3721 8.2335 125.8255 54.7077 42.8826 176.1813 71 G 4.3610 8.7270 112.1194 45.1699 0.0000 171.1304 72 K 5.0324 8.2830 117.9453 54.3526 35.5050 177.3000 73 R 4.3077 8.4315 123.4565 55.0679 30.6403 174.8608 74 P 4.4095 0.0000 0.0000 63.1631 32.7242 175.3086 75 D 4.8668 8.6167 121.5452 54.5042 42.0765 175.4629 76 R 5.0219 8.8122 119.9800 54.3236 35.0408 174.1063 77 K 4.9875 8.7476 120.9217 54.6497 36.1697 174.7808 78 K 5.1486 9.1595 123.7386 55.1780 36.4289 174.6167 79 A 5.1768 9.2085 125.1387 50.1375 21.9551 174.9619 80 I 4.7991 9.0274 123.4115 59.5583 40.0913 174.8189 81 V 4.8541 9.0589 123.6161 59.8139 34.5886 174.8806 82 Q 5.1205 9.0144 124.7752 54.7638 30.6461 175.0908 83 V 4.2625 9.3069 121.5557 60.2103 32.9018 176.1635 84 A 4.1079 9.3237 126.6157 51.7634 19.2113 175.4807 85 P 4.0371 0.0000 0.0000 64.8523 31.3937 176.7613 86 G 3.9610 9.4500 109.1940 45.2303 0.0000 172.0764 87 Q 4.6606 7.1792 116.2285 54.6537 31.7543 173.7260 88 K 4.3088 8.0253 114.8260 56.7467 34.7380 175.0058 89 I 4.0022 7.0803 120.5321 59.4553 36.5366 176.6852 90 E 3.8894 8.6306 126.4650 59.3173 29.5149 179.2944 91 A 4.4796 8.0169 117.3825 52.8237 18.0218 177.4675 92 L 4.6457 7.5482 116.4617 55.0243 43.9097 176.5618 93 E 4.2239 7.6464 116.6184 57.2501 30.1393 175.8058 94 G 3.7879 8.1480 121.7281 45.8454 0.0000 172.8549 *95 L 4.1219 8.7018 126.1336 54.1731 41.6291 175.6848 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 3 T 8.41 4.82 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 4 A 8.79 3.86 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 5 Y 8.69 4.30 0.00 2.97 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 6 D 7.89 4.75 0.00 2.71 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 0.00 7 V 7.76 3.67 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 1.06 0.00 0.00 0.90 0.00 0.00 8 I 7.66 4.42 1.89 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 1.19 0.60 1.03 0.00 0.00 9 L 9.08 4.50 0.00 1.85 1.84 1.04 1.04 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 10 A 7.94 4.83 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 11 P 0.00 4.56 0.00 2.10 2.08 0.00 3.97 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 2.08 2.11 0.00 12 V 7.63 3.02 1.67 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 -0.25 0.00 0.00 0.59 0.00 0.00 13 L 9.02 3.58 0.00 1.91 1.92 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.12 4.53 0.00 3.90 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 15 E 8.85 4.02 0.00 2.10 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 2.40 2.48 0.00 16 K 7.79 3.85 0.00 1.69 1.67 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.40 7.81 17 A 7.54 3.77 0.68 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 18 Y 6.97 2.65 0.00 2.81 2.59 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 19 A 7.90 4.04 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 20 G 7.48 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 21 F 8.43 4.14 0.00 2.96 2.98 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 22 A 7.28 4.11 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 23 E 7.95 4.36 0.00 1.86 1.91 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 2.29 2.27 0.00 24 G 7.79 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 25 K 7.23 5.69 0.00 1.68 1.67 0.00 1.75 0.00 0.00 2.32 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 26 Y 8.16 4.60 0.00 3.18 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 27 T 8.41 5.21 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 1.06 0.00 0.00 28 F 9.64 5.05 0.00 2.82 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 29 W 9.36 4.91 0.00 3.36 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 30 V 8.43 4.99 2.27 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 0.79 0.00 0.00 0.99 0.00 0.00 31 H 9.02 4.08 0.00 3.32 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.33 0.00 2.22 2.23 0.00 3.53 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 1.74 1.94 0.00 33 K 7.72 4.41 0.00 1.94 1.94 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.43 7.81 34 A 7.78 5.28 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 35 T 7.97 4.69 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 36 K 8.79 3.96 0.00 1.81 1.93 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.58 7.81 37 T 7.85 3.96 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 1.20 0.00 0.00 38 E 7.82 3.81 0.00 2.22 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 0.00 2.27 2.33 0.00 39 I 8.89 3.75 2.06 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 1.39 1.23 0.86 0.00 0.00 40 K 7.92 3.94 0.00 1.88 1.81 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 41 N 8.14 4.41 0.00 2.67 2.85 0.00 0.00 7.09 7.84 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 42 A 7.73 3.84 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 43 V 7.89 3.53 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 0.54 0.00 0.00 0.78 0.00 0.00 44 E 8.45 4.01 0.00 2.07 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 2.37 2.44 0.00 45 T 7.63 4.41 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 1.20 0.00 0.00 46 A 7.46 3.96 0.80 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 47 F 7.92 4.51 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.07 0.00 1.82 1.97 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.51 7.81 49 V 7.64 4.55 2.21 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 0.72 0.00 0.00 0.92 0.00 0.00 50 K 8.69 4.51 0.00 1.87 1.63 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.39 7.81 51 V 8.30 4.55 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 0.82 0.00 0.00 0.96 0.00 0.00 52 V 9.39 4.42 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 0.81 0.00 0.00 0.94 0.00 0.00 53 K 7.57 4.57 0.00 1.83 1.57 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.41 7.81 54 V 8.36 4.83 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 0.87 0.00 0.00 0.95 0.00 0.00 55 N 8.99 5.26 0.00 2.75 2.61 0.00 0.00 6.46 7.16 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 56 T 8.49 5.29 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 1.20 0.00 0.00 57 L 8.60 4.84 0.00 1.78 1.75 0.91 0.81 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 58 H 8.78 5.17 0.00 3.10 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.68 4.30 2.41 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 1.11 0.00 0.00 1.12 0.00 0.00 60 R 8.28 4.78 0.00 1.75 1.95 0.00 3.34 0.00 0.00 3.90 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 61 G 8.85 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 0.00 0.00 0.00 62 K 8.93 4.07 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.50 7.81 63 K 8.66 4.51 0.00 1.89 1.81 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 K 9.16 4.80 0.00 1.65 1.67 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 65 R 8.45 5.43 0.00 1.78 1.76 0.00 3.13 0.00 0.00 3.80 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 66 L 8.40 4.40 0.00 1.71 1.58 0.95 1.20 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 67 G 8.51 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 0.00 0.00 0.00 0.00 68 R 7.83 4.26 0.00 1.68 1.75 0.00 2.81 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 69 Y 6.93 4.59 0.00 3.36 2.95 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 70 L 8.23 4.37 0.00 1.62 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.73 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 0.00 0.00 0.00 0.00 72 K 8.28 5.03 0.00 1.57 1.66 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.50 7.81 73 R 8.43 4.31 0.00 1.83 1.81 0.00 3.14 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 74 P 0.00 4.41 0.00 2.05 2.14 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 75 D 8.62 4.87 0.00 2.70 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 76 R 8.81 5.02 0.00 1.82 1.71 0.00 2.83 0.00 0.00 2.85 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.53 0.00 77 K 8.75 4.99 0.00 1.82 1.83 0.00 1.58 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.45 7.81 78 K 9.16 5.15 0.00 1.53 1.61 0.00 0.79 0.00 0.00 0.99 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.23 7.81 79 A 9.21 5.18 1.23 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 0.00 0.00 0.00 80 I 9.03 4.80 1.81 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 1.22 1.67 0.91 0.00 0.00 81 V 9.06 4.85 2.12 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 0.62 0.00 0.00 1.15 0.00 0.00 82 Q 9.01 5.12 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 83 V 9.31 4.26 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 0.75 0.00 0.00 1.23 0.00 0.00 84 A 9.32 4.11 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 85 P 0.00 4.04 0.00 2.19 2.11 0.00 3.78 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 2.01 2.01 0.00 86 G 9.45 3.96 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 0.00 0.00 0.00 87 Q 7.18 4.66 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.58 2.29 0.00 88 K 8.03 4.31 0.00 1.98 1.88 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.26 1.57 7.81 89 I 7.08 4.00 0.69 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.12 0.53 0.00 0.00 90 E 8.63 3.89 0.00 2.01 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 2.40 2.27 0.00 91 A 8.02 4.48 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.65 0.00 1.33 1.25 0.53 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.65 4.22 0.00 2.03 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 2.57 2.42 0.00 94 G 8.15 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 8.70 4.12 0.00 1.42 1.50 0.92 0.68 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 * Residues marked with a * may have inaccurate shift predictions.