NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2580 8.3027 118.7963 55.7751 30.9736 174.2360 2 V 3.8128 8.0285 121.4161 62.6872 32.0699 173.7737 3 Q 4.7398 10.2030 127.4333 54.1702 34.0219 173.6097 4 L 5.1040 8.6393 121.6414 53.1623 45.1104 175.0803 5 Q 4.6686 9.0482 126.6601 54.5421 30.7336 174.7062 6 Q 5.1903 9.2550 126.5410 54.6124 30.6185 175.9643 7 S 4.4629 8.5200 116.7698 58.0058 64.3533 173.8438 8 G 4.0486 8.5030 108.0811 45.1633 0.0000 173.1339 9 A 4.5410 8.5786 121.3840 52.3984 19.3104 176.8764 10 E 4.6853 9.4408 119.6703 54.3259 33.0559 174.9173 11 L 5.1794 8.6155 125.5801 53.5362 44.3094 175.5379 12 V 4.6402 8.9654 119.0854 59.9066 36.8621 174.5895 13 E 4.9898 8.4473 120.7403 53.6920 31.6493 174.4035 14 P 4.5271 0.0000 0.0000 64.6410 31.7484 177.2424 15 G 3.8527 9.3669 111.3912 45.1047 0.0000 173.3039 16 A 4.5388 7.7127 122.0061 51.3150 20.5801 175.9892 17 S 5.1682 8.3943 111.7110 56.9601 66.4179 173.7829 18 V 4.5396 8.6420 112.3606 59.5499 36.3344 174.7348 19 K 4.7413 8.4784 123.2017 54.8485 34.3801 175.2502 20 L 4.8236 9.1411 129.0616 53.5240 43.9727 176.0344 21 S 5.1920 9.1443 116.4607 56.8309 66.7745 172.5594 22 C 4.8246 9.1604 121.1212 55.5265 46.7290 172.3150 23 T 4.8410 8.9653 124.1864 62.0445 69.7517 174.1573 24 A 5.0093 8.5048 129.1835 50.8398 20.4652 176.3866 25 S 4.3705 8.9719 114.7679 57.6601 66.7226 175.3317 26 G 3.9284 11.0478 108.9759 46.5257 0.0000 173.0048 27 F 4.7207 6.8759 111.7208 55.7294 40.3353 172.8239 28 N 4.6055 8.5937 120.9502 52.5132 39.5436 176.0564 29 I 3.9915 8.6568 119.6784 63.1553 37.8465 178.0335 30 K 4.1164 8.5151 120.5129 58.6912 31.8801 177.1659 31 D 4.8144 8.2440 118.2618 54.2925 40.8429 175.6278 32 T 4.8826 7.6265 108.9895 60.1287 72.5025 172.7504 33 Y 4.7129 9.2078 120.2296 57.5782 39.9441 174.7815 34 M 4.7322 9.2522 124.3950 54.3763 33.7616 175.0829 35 H 5.3412 9.1215 121.9072 54.4204 31.4809 174.5274 36 W 5.3613 8.9270 120.4503 54.9606 32.7680 174.7345 37 V 5.0072 9.2178 122.9850 61.1240 34.4986 173.9999 38 K 4.7018 9.3794 128.8308 54.8820 34.9607 175.0927 39 Q 4.8931 8.4868 126.7024 53.4320 31.6684 174.4424 40 R 4.3977 8.5293 125.5902 54.9943 31.8308 174.7337 41 P 4.3226 0.0000 0.0000 64.5533 31.6082 176.0861 42 E 3.8211 9.0012 120.3328 57.1966 27.1796 173.7063 43 Q 4.7658 8.0002 118.3181 53.9834 31.8710 174.3746 44 G 4.0130 8.2138 107.0182 45.1422 0.0000 171.7554 45 L 4.8864 8.2472 118.6966 53.6454 43.2567 176.4608 46 E 4.8996 9.2230 122.5563 54.1546 33.1528 174.9531 47 W 4.6539 9.2021 134.8989 57.8836 31.3085 175.4204 48 I 3.5565 8.5078 128.2038 61.5602 38.2737 176.1936 49 G 2.6869 5.7925 106.9550 45.6083 0.0000 170.6257 50 R 5.0539 7.1457 114.2148 55.0290 33.3289 173.8022 51 I 4.8938 8.6240 119.5511 59.3025 41.8294 174.1474 52 D 5.0153 9.2672 128.8035 52.5047 40.5565 175.2646 52A P 4.3990 0.0000 0.0000 64.6273 31.7228 178.8815 53 A 4.1742 8.1086 121.1103 54.2660 18.3372 177.7216 54 N 4.8819 7.4973 106.1558 51.8831 38.8165 175.5526 55 G 3.9606 8.4943 107.3097 45.5448 0.0000 173.3284 56 N 4.6669 8.6598 118.9240 53.1574 39.4107 174.7431 57 S 5.1969 8.7307 119.3902 56.7124 66.1702 173.5256 58 K 4.6500 8.3859 120.2060 54.8472 35.6610 175.0654 59 Y 5.0446 8.3738 120.4819 55.9426 41.2710 176.0562 60 V 4.0244 8.6240 117.7124 60.7236 32.7978 175.3317 61 P 4.2987 0.0000 0.0000 65.8477 31.2174 178.6368 62 K 4.0749 8.0428 114.2487 58.5670 32.9331 177.2278 63 F 4.5859 8.3347 118.1633 57.3291 39.5059 175.6564 64 Q 4.1383 7.7794 121.5392 57.0537 28.8859 176.2721 65 G 3.9922 8.7139 110.9755 45.2874 0.0000 174.4010 66 K 4.0745 7.9709 119.5457 57.9496 32.9396 175.4536 67 A 5.0749 7.7387 119.1923 50.4727 20.9401 176.2653 68 T 4.5252 8.6608 118.2532 61.7347 72.0007 172.9712 69 I 5.0442 9.2698 128.1436 59.8444 39.3569 175.0727 70 T 4.9963 8.9212 115.5731 60.1958 72.8527 172.1838 71 A 5.2388 8.5289 121.4254 50.5862 22.7918 175.5390 72 D 4.8162 9.5905 119.8222 52.5981 43.4096 176.6108 73 T 4.0140 8.6946 118.0184 64.2631 69.3075 177.0290 74 S 4.1306 8.2563 116.7406 60.3353 63.0080 175.0874 75 S 4.5655 8.1460 113.0491 56.8574 63.3327 173.0771 76 N 4.0728 8.0688 118.1903 55.4204 37.8830 173.4718 77 T 4.9849 7.9083 111.5137 61.5631 72.9184 173.9918 78 A 5.2541 8.7338 126.9053 50.5823 22.3556 175.1031 79 Y 5.3518 9.3938 116.7888 56.1268 42.8156 174.4554 80 L 4.5037 8.2500 123.6142 53.1593 44.7781 174.7332 81 Q 4.8669 8.8672 128.5115 54.4768 31.2657 174.0443 82 L 5.2223 8.7513 126.1053 53.0897 44.9138 175.7544 82A T 4.7543 8.1770 112.6905 59.0465 71.9382 173.7536 82B S 3.6595 8.3785 115.3485 59.4878 60.4779 173.2038 82C L 4.3185 7.9782 120.4003 55.1594 42.5299 177.3238 83 T 4.8338 9.0340 112.0034 59.4993 72.1233 174.8128 84 S 4.1750 8.4696 114.4865 60.9433 63.1300 175.8909 85 E 4.1783 7.8299 119.9379 58.3725 29.2397 177.2130 86 D 4.7727 8.0824 117.7779 55.0924 41.4682 176.6907 87 T 4.2852 7.7606 117.0846 64.3237 68.9268 173.4836 88 A 4.3104 8.6293 126.9767 51.7166 23.7976 174.4407 89 V 4.5679 7.9869 119.3512 61.7750 33.5452 174.1598 90 Y 5.1505 8.9875 125.4853 56.4793 40.6834 174.2682 91 Y 5.5667 9.5269 121.7934 56.4144 41.5376 172.3839 92 C 4.7203 8.7750 116.3986 53.8501 45.1709 172.4518 93 A 4.7429 7.9958 121.1194 50.1928 22.3642 174.1845 94 P 4.9985 0.0000 0.0000 62.5447 33.1571 175.6233 95 F 4.6951 9.1700 123.5907 56.9731 42.5787 173.6316 96 G 4.0853 8.1667 111.0868 45.9553 0.0000 173.4026 97 Y 4.1090 8.9284 122.4121 59.8222 38.5456 177.2334 98 Y 4.3276 7.7651 112.8224 58.1522 38.6053 175.2794 99 V 4.0128 7.4715 117.3132 63.8925 33.5625 176.4397 100 S 4.3409 7.6302 117.8661 57.1445 63.0627 173.2064 101 D 3.8033 7.7150 125.8743 55.4090 41.7218 177.6938 101A Y 4.4329 7.3848 114.9202 59.4221 39.3177 174.6159 101B A 4.5877 7.4654 120.7637 52.0304 20.9547 175.8438 101C M 4.2811 8.6640 114.8870 54.4013 31.2375 175.5973 101D A 4.1052 8.3489 126.8609 52.9914 19.3125 177.2559 102 Y 4.9038 7.3814 112.6700 55.8598 41.1250 174.9101 103 W 5.0364 8.8355 123.1694 54.4042 32.8272 175.4396 104 G 4.0842 8.7831 111.3375 45.2870 0.0000 173.8196 105 Q 4.2579 8.6193 116.4888 56.7203 29.2264 177.2628 106 G 3.6753 8.7942 105.4375 46.0305 0.0000 173.0101 107 T 4.5980 8.4062 117.3100 61.3157 71.9203 173.2725 108 S 4.7347 8.7663 122.3334 58.0181 64.0011 172.5917 109 V 4.9081 9.2776 127.6380 61.4378 34.0428 174.1275 110 T 4.8854 9.2817 124.6568 61.7615 71.5141 173.1207 111 V 4.7454 8.6931 127.7116 61.6772 31.9967 174.8754 112 S 4.5337 9.0646 125.0457 57.5958 66.3881 174.9823 *113 S 4.2842 8.6033 121.3209 58.4317 62.7872 172.4926 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 8.30 4.26 0.00 2.15 2.16 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 2.27 2.27 0.00 2 V 8.03 3.81 1.09 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 0.28 0.00 0.00 0.45 0.00 0.00 3 Q 10.20 4.74 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 4 L 8.64 5.10 0.00 1.70 1.57 1.02 0.83 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 5 Q 9.05 4.67 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 6 Q 9.25 5.19 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 7 S 8.52 4.46 0.00 3.96 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 8 G 8.50 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 0.00 0.00 0.00 9 A 8.58 4.54 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 10 E 9.44 4.69 0.00 1.82 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 0.00 2.39 2.35 0.00 11 L 8.62 5.18 0.00 1.60 1.54 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.97 4.64 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 0.65 0.00 0.00 0.98 0.00 0.00 13 E 8.45 4.99 0.00 1.92 1.85 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 2.35 2.17 0.00 14 P 0.00 4.53 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 15 G 9.37 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 16 A 7.71 4.54 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 17 S 8.39 5.17 0.00 3.86 3.77 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 18 V 8.64 4.54 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 0.68 0.00 0.00 0.78 0.00 0.00 19 K 8.48 4.74 0.00 1.63 1.62 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.34 7.81 20 L 9.14 4.82 0.00 1.33 1.61 0.70 -0.17 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 21 S 9.14 5.19 0.00 3.62 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 0.00 22 C 9.16 4.82 0.00 2.83 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 23 T 8.97 4.84 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 1.15 0.00 0.00 24 A 8.50 5.01 0.64 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 0.00 0.00 25 S 8.97 4.37 0.00 3.75 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 26 G 11.05 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 27 F 6.88 4.72 0.00 3.06 2.85 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 28 N 8.59 4.61 0.00 2.72 2.90 0.00 0.00 6.66 7.83 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 29 I 8.66 3.99 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 0.74 0.00 0.00 30 K 8.52 4.12 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.50 7.81 31 D 8.24 4.81 0.00 2.92 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 32 T 7.63 4.88 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 1.18 0.00 0.00 33 Y 9.21 4.71 0.00 3.09 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 34 M 9.25 4.73 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 35 H 9.12 5.34 0.00 3.17 3.36 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.93 5.36 0.00 3.10 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 37 V 9.22 5.01 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 1.39 0.00 0.00 1.23 0.00 0.00 38 K 9.38 4.70 0.00 1.78 1.67 0.00 2.00 0.00 0.00 1.96 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 0.72 7.81 39 Q 8.49 4.89 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 40 R 8.53 4.40 0.00 1.92 1.85 0.00 3.25 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 41 P 0.00 4.32 0.00 2.04 2.03 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 42 E 9.00 3.82 0.00 2.11 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 0.00 2.22 2.32 0.00 43 Q 8.00 4.77 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 44 G 8.21 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 45 L 8.25 4.89 0.00 1.62 1.74 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.22 4.90 0.00 2.09 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 2.34 2.34 0.00 47 W 9.20 4.65 0.00 3.31 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 48 I 8.51 3.56 1.69 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 -0.30 0.35 0.48 0.00 0.00 49 G 5.79 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 0.00 0.00 0.00 50 R 7.15 5.05 0.00 1.68 1.93 0.00 2.95 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 51 I 8.62 4.89 1.94 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 1.19 1.89 1.09 0.00 0.00 52 D 9.27 5.02 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 52A P 0.00 4.40 0.00 2.23 2.11 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 53 A 8.11 4.17 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 54 N 7.50 4.88 0.00 2.84 2.87 0.00 0.00 7.06 6.88 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 55 G 8.49 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 56 N 8.66 4.67 0.00 2.82 2.82 0.00 0.00 6.81 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 57 S 8.73 5.20 0.00 3.61 3.12 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 58 K 8.39 4.65 0.00 1.67 1.73 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 59 Y 8.37 5.04 0.00 2.84 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 60 V 8.62 4.02 2.31 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 1.12 0.00 0.00 1.41 0.00 0.00 61 P 0.00 4.30 0.00 2.22 2.17 0.00 3.73 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 2.19 2.18 0.00 62 K 8.04 4.07 0.00 1.59 1.83 0.00 1.44 0.00 0.00 1.60 0.00 0.00 2.16 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 0.90 7.81 63 F 8.33 4.59 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 64 Q 7.78 4.14 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 65 G 8.71 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.97 4.07 0.00 1.85 2.07 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.63 7.81 67 A 7.74 5.07 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 68 T 8.66 4.53 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 1.21 0.00 0.00 69 I 9.27 5.04 1.89 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 1.12 0.62 1.16 0.00 0.00 70 T 8.92 5.00 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 1.23 0.00 0.00 71 A 8.53 5.24 1.28 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 0.00 0.00 72 D 9.59 4.82 0.00 2.90 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 73 T 8.69 4.01 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 1.25 0.00 0.00 74 S 8.26 4.13 0.00 4.02 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 75 S 8.15 4.57 0.00 3.98 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 76 N 8.07 4.07 0.00 2.83 2.79 0.00 0.00 6.96 6.82 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 77 T 7.91 4.98 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 0.58 0.00 0.00 78 A 8.73 5.25 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 79 Y 9.39 5.35 0.00 2.87 2.80 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 80 L 8.25 4.50 0.00 0.27 0.13 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.87 4.87 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 82 L 8.75 5.22 0.00 1.38 1.39 0.11 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 82A T 8.18 4.75 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 1.14 0.00 0.00 82B S 8.38 3.66 0.00 3.95 3.89 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 0.00 0.00 0.00 82C L 7.98 4.32 0.00 1.75 1.59 0.91 0.48 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 83 T 9.03 4.83 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 1.24 0.00 0.00 84 S 8.47 4.17 0.00 4.04 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 85 E 7.83 4.18 0.00 1.96 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 2.36 2.43 0.00 86 D 8.08 4.77 0.00 2.89 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 87 T 7.76 4.29 4.42 0.00 0.00 0.00 0.00 0.00 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 88 A 8.63 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.99 4.57 1.93 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 0.43 0.00 0.00 0.88 0.00 0.00 90 Y 8.99 5.15 0.00 3.06 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 91 Y 9.53 5.57 0.00 3.24 3.22 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 92 C 8.77 4.72 0.00 2.05 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 93 A 8.00 4.74 0.28 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 0.00 0.00 94 P 0.00 5.00 0.00 1.82 2.01 0.00 3.81 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 1.83 1.67 0.00 95 F 9.17 4.70 0.00 2.99 3.03 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 96 G 8.17 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 97 Y 8.93 4.11 0.00 2.69 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 98 Y 7.77 4.33 0.00 3.08 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 99 V 7.47 4.01 1.72 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 -0.11 0.00 0.00 0.82 0.00 0.00 100 S 7.63 4.34 0.00 3.89 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.72 3.80 0.00 2.15 1.54 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 101A Y 7.38 4.43 0.00 2.99 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 101B A 7.47 4.59 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 101C M 8.66 4.28 0.00 1.40 2.11 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 101D A 8.35 4.11 0.62 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 0.00 0.00 102 Y 7.38 4.90 0.00 2.87 2.85 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 0.00 103 W 8.84 5.04 0.00 3.17 3.12 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 0.00 104 G 8.78 4.08 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 0.00 0.00 0.00 105 Q 8.62 4.26 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 106 G 8.79 3.68 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 0.00 107 T 8.41 4.60 4.40 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 1.32 0.00 0.00 108 S 8.77 4.73 0.00 3.92 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 0.00 109 V 9.28 4.91 2.34 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 0.96 0.00 0.00 0.94 0.00 0.00 110 T 9.28 4.89 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 0.00 111 V 8.69 4.75 2.16 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 0.74 0.00 0.00 0.99 0.00 0.00 112 S 9.06 4.53 0.00 3.90 3.63 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 *113 S 8.60 4.28 0.00 3.64 3.66 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 * Residues marked with a * may have inaccurate shift predictions.