NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3382 8.3149 120.1400 55.7659 33.7578 175.2206 6 I 3.7997 8.2778 123.0670 61.2993 38.3449 173.4565 7 K 5.0897 9.5340 127.4478 55.4256 34.5048 175.7307 8 V 4.9023 8.9364 116.7271 59.9926 36.4598 173.9348 9 Y 5.5655 8.6410 120.0538 56.7774 40.5852 174.7099 10 L 5.1385 9.0342 122.9981 53.6118 44.0252 174.9010 11 Y 5.4330 9.1286 124.8739 56.1066 41.3448 174.6083 12 T 4.7109 7.9229 115.8029 60.2154 72.8179 172.6052 13 R 5.1394 7.9177 116.9273 56.8197 32.0644 173.8878 14 V 4.4348 8.1641 112.4079 59.9798 34.0749 176.6892 15 S 4.4043 9.3020 118.9073 60.8428 64.6802 176.4666 16 T 4.2634 8.8763 108.1384 61.6955 67.9045 176.5590 17 S 4.7917 8.7347 112.3199 55.2719 68.3532 174.1262 18 I 3.7448 8.4090 122.3699 64.1690 37.3790 177.9694 19 Q 4.0087 8.1218 117.9828 59.1174 28.6264 178.4512 20 I 4.1789 7.6600 118.1887 62.8501 38.1765 176.9106 21 E 4.6801 8.3699 116.8727 55.6599 31.0904 178.1103 22 G 3.7927 8.3211 107.2724 48.1707 0.0000 175.1206 23 Y 4.4337 8.4444 119.8579 58.4548 38.0908 177.6123 24 S 4.3231 6.8644 113.8164 58.0338 63.3418 175.9057 25 L 3.7861 7.8758 125.3053 57.9932 41.5016 179.0443 26 E 3.9433 8.0009 116.9846 59.1886 29.8446 178.7558 27 A 4.0433 7.8390 121.2501 54.9048 18.3492 179.4065 28 Q 3.3720 7.6297 116.2907 58.8746 28.6961 179.0780 29 K 3.9010 8.1793 119.6954 59.7153 32.0483 179.3957 30 S 4.1419 8.1633 115.3024 61.6457 62.7718 176.7839 31 R 3.9680 7.9103 120.8145 59.9112 29.8023 178.5146 32 M 4.1835 8.4031 118.5893 58.3434 31.8476 178.9643 33 K 4.0472 8.6343 118.9194 59.2739 32.1847 179.0949 34 A 4.0227 8.4067 121.4524 55.2582 18.3125 179.3408 35 F 4.0341 8.4907 118.7745 61.3775 39.4212 176.9064 36 A 4.3104 8.5761 120.5362 55.8400 18.1327 179.2058 37 I 3.6624 8.2446 120.7097 65.4594 36.9718 178.6031 *38 Y 3.9126 8.1270 118.6577 59.8131 36.7832 179.4662 39 N 4.2252 7.5694 113.9270 52.2374 38.7029 174.3224 40 D 4.2762 7.7192 117.0322 55.3525 40.1704 173.1522 41 Y 4.8786 7.5760 113.6135 57.2683 39.4986 174.9632 42 E 4.6814 9.3959 123.0880 54.6072 31.9187 174.8300 43 I 4.6734 8.5088 128.3773 60.9226 38.0012 176.1040 44 V 4.4950 8.7030 119.0383 60.1833 33.3193 175.7855 45 G 4.1334 7.5929 105.7925 45.8185 0.0000 172.5298 46 E 5.2923 8.5387 122.0877 54.5438 33.0598 174.7200 47 Y 4.8515 9.2164 121.5442 56.2483 42.1292 174.4702 48 E 5.2914 8.6831 123.1319 55.0599 33.0619 174.7215 49 D 4.8672 8.7223 127.5662 53.1400 40.5808 176.5873 50 A 4.2888 8.5288 123.8359 51.5754 19.8655 177.3035 51 G 4.0036 8.2039 103.7436 46.5514 0.0000 175.3484 52 K 4.1854 8.0148 118.1826 56.5780 33.0050 177.6334 53 S 4.4465 7.8497 113.5763 57.7594 63.9459 173.7299 54 G 3.9630 8.4811 107.6144 45.3254 0.0000 173.8033 55 K 4.4527 7.3042 120.8406 55.5590 34.5366 177.9202 56 S 4.2674 8.7242 116.0236 60.8921 62.3992 175.0614 57 I 4.6315 7.3579 120.3755 58.9756 39.3685 175.2460 58 E 4.1101 8.6756 126.9724 56.0493 30.6588 176.4644 59 G 4.2041 8.3999 116.3524 45.9582 0.0000 174.9531 60 R 4.9589 8.3925 124.3694 55.8375 32.0004 177.4716 61 I 3.7556 8.1805 119.4992 64.5275 37.0432 178.1673 62 Q 4.1657 8.8351 118.9180 58.6494 28.5990 178.2798 63 F 3.7948 8.5666 121.4746 61.2795 39.3899 177.0335 64 N 4.1894 8.5298 116.3543 56.1149 38.3646 177.1768 65 R 3.7956 8.2339 120.5617 59.6807 30.0869 178.0334 66 M 2.7798 7.7904 117.9929 58.6520 32.0488 178.0991 67 M 3.7655 7.3210 118.5363 58.2917 31.9873 178.6409 68 E 3.8270 7.9046 118.6743 59.4783 29.3866 179.1651 69 D 4.4050 7.7614 117.9502 57.0636 41.1839 178.6982 70 I 3.9314 7.5476 120.6586 64.2069 36.9727 178.4046 71 K 2.6503 7.4856 118.2628 59.0526 31.8978 179.2680 72 S 4.2754 7.9700 112.7522 59.1233 63.3843 175.7162 73 G 3.8813 6.9802 109.8776 46.7545 0.0000 177.2681 74 K 4.5623 7.1331 119.4678 58.4663 33.4424 175.7689 75 D 4.7734 7.9512 115.4302 53.0112 42.2752 176.2312 76 G 3.8967 7.8719 107.2557 46.4451 0.0000 174.7753 77 V 3.8137 7.4193 111.3097 61.1041 32.6510 177.0041 78 S 4.2675 9.0515 120.1684 59.9626 64.4000 174.2045 79 F 5.3490 7.7716 116.3777 55.6045 43.6498 173.8257 80 V 4.8770 8.7366 121.7895 61.5174 33.4340 174.4349 81 L 4.9261 8.9271 128.4787 53.7339 43.2532 176.2739 82 V 4.9526 8.5117 117.0746 59.5048 35.0261 176.8616 83 F 4.2597 8.9644 124.7317 60.9403 40.2585 175.0206 84 K 4.7085 7.9074 115.1388 55.4179 35.2355 176.1423 85 L 4.1468 8.9144 120.1276 58.2064 41.5050 179.8042 86 S 4.4342 8.1651 109.3566 59.6482 63.2075 174.1210 87 R 4.8291 7.8466 120.5797 55.1496 30.5627 174.6646 88 F 5.0471 7.9576 122.3404 58.7479 46.7343 172.9682 89 A 4.3801 8.3895 123.1987 50.8990 21.8307 176.3076 90 R 4.3653 7.9795 116.2804 56.8887 30.9891 176.4211 91 N 4.5969 7.2933 111.9868 51.8234 40.7979 174.9758 92 A 4.0011 9.2627 122.1113 55.1881 18.3011 179.7307 93 A 3.9513 8.4230 119.4147 55.2323 18.4581 179.4744 94 D 4.2389 8.7708 117.8956 57.6381 40.8809 179.3080 95 V 3.6242 7.6823 118.4880 65.7583 31.5250 177.8889 96 L 3.9786 8.1088 120.3411 58.2244 42.0451 179.1154 97 S 4.3108 8.1459 114.2545 61.7193 62.9559 176.4089 98 T 3.9153 7.8608 119.3814 66.4057 68.2784 176.2761 99 L 4.1066 8.2705 122.1765 58.3017 41.9468 179.1358 100 Q 4.0236 8.1842 118.0619 58.8390 28.7779 178.5314 101 I 3.7898 7.9530 120.8185 64.7040 37.1748 178.0123 102 M 4.0741 8.1701 119.4105 59.0402 31.8780 179.0854 103 Q 4.2069 8.1663 119.0150 58.1730 28.5916 177.9814 104 D 4.2933 8.1070 118.9126 57.3948 41.1421 177.5618 105 Y 4.5614 7.6431 114.3144 57.7982 38.9374 176.7197 106 G 3.8414 8.0413 107.0684 45.4761 0.0000 173.9276 107 V 4.3637 8.0286 120.7431 61.0136 33.8391 174.8279 108 N 4.9426 8.5247 124.8623 51.6917 41.8718 173.1656 109 L 5.1180 8.8864 122.2423 53.4487 44.8662 174.9409 110 I 4.8140 8.6750 126.7567 59.7084 40.2970 174.2244 111 C 4.7501 8.6724 125.5126 58.0421 29.0722 175.0190 112 V 2.8513 8.4099 125.3405 65.6938 31.3315 177.2165 113 E 3.7543 8.0389 119.9233 59.0240 29.3775 177.6189 114 D 4.2735 7.7537 116.6503 55.1342 41.0517 176.8906 115 G 3.8797 7.5435 106.2190 46.2476 0.0000 173.1875 116 I 4.2079 7.3550 120.0731 59.5463 38.5373 174.6834 117 D 4.9794 8.3249 123.4395 52.4289 42.5592 175.9279 118 S 4.2910 9.1840 123.5369 60.6796 63.3097 176.7761 119 S 4.2885 8.5944 115.7826 60.9121 63.0152 175.1153 120 K 4.4371 7.8869 118.9664 56.6090 32.2028 178.0806 121 D 4.5573 7.4605 124.6026 54.7508 41.6056 177.6947 *124 K 4.3537 8.3402 110.7737 54.4269 33.6428 174.1716 125 L 4.0339 7.9445 124.7743 58.5814 42.4295 177.0108 126 M 4.0108 8.5335 118.3018 58.9321 32.0910 178.3347 127 I 3.7513 7.7286 119.2053 64.4530 37.2997 178.4851 128 S 4.1212 7.8382 116.0404 61.4787 62.5770 176.9626 129 V 3.5730 7.8474 120.8279 65.9753 31.3630 178.0223 130 L 3.9691 7.8675 118.7210 57.8927 41.4711 179.3488 131 S 4.0774 8.4513 113.1667 61.5418 62.1591 176.1663 132 A 3.9879 8.1172 123.3583 55.0735 18.1999 179.6906 133 V 3.6301 8.1377 116.8156 65.6182 31.5596 178.1317 134 A 4.2542 8.7488 123.6204 55.7601 18.2130 179.9851 135 E 3.9294 8.4016 116.8855 61.2198 29.6945 181.4227 136 I 3.9016 7.5245 120.7479 64.5120 37.2527 178.4106 137 E 3.9615 8.0584 118.8339 59.4033 29.2829 179.5854 138 R 3.8944 8.1724 118.2546 59.3520 30.1691 178.8006 139 E 3.9368 8.2769 118.9872 59.2611 29.6348 178.2811 140 N 4.2998 8.3415 116.6670 56.5470 38.4995 177.4304 141 I 3.6986 7.6533 120.8208 64.4292 37.2080 178.4572 142 R 3.9204 8.0489 118.9118 59.5482 29.8331 179.1855 143 I 3.7260 7.8943 119.2786 64.4601 37.0096 178.5471 144 Q 3.9855 8.1240 118.8725 59.2648 28.4760 178.9951 145 T 3.8476 8.2147 117.0662 66.7225 68.4981 176.3430 146 M 3.9938 8.4154 120.4695 58.7556 32.3297 178.0661 147 E 4.0733 8.5349 119.1058 59.4607 29.6063 179.5837 148 G 3.6750 8.4310 106.0073 48.0581 0.0000 175.5476 149 C 4.1779 8.3844 119.0935 62.5342 27.8935 175.9950 150 I 3.7445 7.7664 123.0486 65.1698 36.9380 178.8670 151 Q 4.2146 8.1611 123.5702 60.9208 27.8219 181.1164 152 K 4.1605 8.2797 125.8868 59.3351 31.4226 180.6806 153 A 4.3492 7.8582 119.1440 54.8794 18.2817 178.6392 154 R 4.1200 8.1370 118.2271 57.9729 30.9156 177.1528 155 E 4.3008 7.6658 116.7223 55.8014 30.0843 179.6662 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 K 8.31 4.34 0.00 1.81 2.03 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 6 I 8.28 3.80 2.33 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 1.22 0.00 0.00 7 K 9.53 5.09 0.00 1.82 1.66 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.65 7.81 8 V 8.94 4.90 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 0.38 0.00 0.00 0.99 0.00 0.00 9 Y 8.64 5.57 0.00 3.00 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 10 L 9.03 5.14 0.00 1.74 1.67 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 9.13 5.43 0.00 3.08 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 12 T 7.92 4.71 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 1.16 0.00 0.00 13 R 7.92 5.14 0.00 1.86 1.80 0.00 2.90 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 14 V 8.16 4.43 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 0.71 0.00 0.00 0.94 0.00 0.00 15 S 9.30 4.40 0.00 4.06 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 16 T 8.88 4.26 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 1.22 0.00 0.00 17 S 8.73 4.79 0.00 4.01 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 18 I 8.41 3.74 2.14 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 1.53 1.58 0.97 0.00 0.00 19 Q 8.12 4.01 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 20 I 7.66 4.18 1.90 0.00 0.00 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 1.66 0.79 0.96 0.00 0.00 21 E 8.37 4.68 0.00 2.12 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 0.00 2.18 2.28 0.00 22 G 8.32 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 23 Y 8.44 4.43 0.00 3.08 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 24 S 6.86 4.32 0.00 3.65 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 25 L 7.88 3.79 0.00 1.78 1.64 0.85 0.59 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 E 8.00 3.94 0.00 2.13 2.17 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 2.33 2.30 0.00 27 A 7.84 4.04 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 28 Q 7.63 3.37 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 29 K 8.18 3.90 0.00 1.72 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 30 S 8.16 4.14 0.00 3.87 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 31 R 7.91 3.97 0.00 2.20 2.31 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 32 M 8.40 4.18 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.66 0.00 33 K 8.63 4.05 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 34 A 8.41 4.02 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 35 F 8.49 4.03 0.00 3.25 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 36 A 8.58 4.31 1.59 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 37 I 8.24 3.66 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.89 0.00 0.00 *38 Y 8.13 3.91 0.00 2.29 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 39 N 7.57 4.23 0.00 1.89 1.47 0.00 0.00 6.96 8.16 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 40 D 7.72 4.28 0.00 2.61 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 41 Y 7.58 4.88 0.00 2.96 2.81 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 0.00 0.00 0.00 42 E 9.40 4.68 0.00 2.04 1.86 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 2.25 2.30 0.00 43 I 8.51 4.67 1.95 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 1.46 0.78 1.01 0.00 0.00 44 V 8.70 4.49 2.18 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 0.71 0.00 0.00 0.96 0.00 0.00 45 G 7.59 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 0.00 0.00 0.00 46 E 8.54 5.29 0.00 1.72 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 2.24 2.32 0.00 47 Y 9.22 4.85 0.00 3.03 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 48 E 8.68 5.29 0.00 1.86 1.74 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 2.12 2.19 0.00 49 D 8.72 4.87 0.00 2.72 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 50 A 8.53 4.29 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 51 G 8.20 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 52 K 8.01 4.19 0.00 1.75 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 53 S 7.85 4.45 0.00 3.98 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 54 G 8.48 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 55 K 7.30 4.45 0.00 2.01 1.82 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.59 7.81 56 S 8.72 4.27 0.00 3.65 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 57 I 7.36 4.63 1.86 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 1.23 1.32 0.94 0.00 0.00 58 E 8.68 4.11 0.00 2.28 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 0.00 2.49 2.33 0.00 59 G 8.40 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 60 R 8.39 4.96 0.00 1.81 1.83 0.00 3.01 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 61 I 8.18 3.76 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.58 0.95 0.00 0.00 62 Q 8.84 4.17 0.00 2.41 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.80 0.00 63 F 8.57 3.79 0.00 3.08 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 64 N 8.53 4.19 0.00 2.92 2.83 0.00 0.00 6.65 8.49 0.00 0.00 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 R 8.23 3.80 0.00 1.88 2.13 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 66 M 7.79 2.78 0.00 1.40 0.79 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.15 0.00 67 M 7.32 3.77 0.00 1.81 1.74 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.61 0.00 68 E 7.90 3.83 0.00 2.04 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 2.38 2.43 0.00 69 D 7.76 4.40 0.00 2.76 2.88 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 70 I 7.55 3.93 1.86 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 1.58 1.20 0.83 0.00 0.00 71 K 7.49 2.65 0.00 1.52 1.28 0.00 1.24 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.59 1.19 7.81 72 S 7.97 4.28 0.00 4.02 4.10 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 73 G 6.98 3.88 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 0.00 74 K 7.13 4.56 0.00 1.85 1.93 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.52 7.81 75 D 7.95 4.77 0.00 2.67 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 76 G 7.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.42 3.81 1.66 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 -0.23 0.00 0.00 0.48 0.00 0.00 78 S 9.05 4.27 0.00 3.65 3.35 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 79 F 7.77 5.35 0.00 2.66 2.72 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 80 V 8.74 4.88 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 1.17 0.00 0.00 1.02 0.00 0.00 81 L 8.93 4.93 0.00 1.73 1.55 0.78 1.21 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 82 V 8.51 4.95 2.22 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 0.72 0.00 0.00 0.83 0.00 0.00 83 F 8.96 4.26 0.00 3.08 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 84 K 7.91 4.71 0.00 2.12 1.62 0.00 1.61 0.00 0.00 2.04 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.53 7.81 85 L 8.91 4.15 0.00 1.80 1.88 0.97 0.94 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 86 S 8.17 4.43 0.00 4.01 4.02 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 87 R 7.85 4.83 0.00 2.06 2.04 0.00 3.56 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 88 F 7.96 5.05 0.00 2.98 3.30 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 89 A 8.39 4.38 1.01 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 90 R 7.98 4.37 0.00 1.83 1.84 0.00 3.31 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 91 N 7.29 4.60 0.00 3.13 2.90 0.00 0.00 6.17 7.92 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 92 A 9.26 4.00 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 93 A 8.42 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 94 D 8.77 4.24 0.00 2.88 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 95 V 7.68 3.62 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 1.18 0.00 0.00 1.08 0.00 0.00 96 L 8.11 3.98 0.00 1.83 1.88 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.15 4.31 0.00 4.12 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 0.00 98 T 7.86 3.92 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 1.56 0.00 0.00 99 L 8.27 4.11 0.00 2.00 1.92 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.18 4.02 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 101 I 7.95 3.79 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 1.05 0.00 0.00 102 M 8.17 4.07 0.00 2.28 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.64 0.00 103 Q 8.17 4.21 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 104 D 8.11 4.29 0.00 2.87 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 4.56 0.00 3.11 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 0.00 106 G 8.04 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 0.00 107 V 8.03 4.36 2.17 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 0.91 0.00 0.00 1.01 0.00 0.00 108 N 8.52 4.94 0.00 2.23 2.86 0.00 0.00 6.07 6.28 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 0.00 109 L 8.89 5.12 0.00 1.65 1.44 0.37 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.67 4.81 1.72 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.48 0.75 0.00 0.00 111 C 8.67 4.75 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.41 2.85 1.86 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 0.46 0.00 0.00 0.12 0.00 0.00 113 E 8.04 3.75 0.00 1.16 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 2.09 1.95 0.00 114 D 7.75 4.27 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.54 3.88 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 0.00 116 I 7.36 4.21 1.82 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 1.28 0.64 0.90 0.00 0.00 117 D 8.32 4.98 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.29 0.00 4.06 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 0.00 119 S 8.59 4.29 0.00 4.12 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 0.00 120 K 7.89 4.44 0.00 1.89 1.91 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.68 1.56 7.81 121 D 7.46 4.56 0.00 2.89 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.35 0.00 1.75 1.79 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 125 L 7.94 4.03 0.00 1.76 1.86 0.93 0.82 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 0.00 126 M 8.53 4.01 0.00 2.26 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 2.62 2.62 0.00 127 I 7.73 3.75 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.92 0.00 0.00 128 S 7.84 4.12 0.00 4.00 3.91 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 0.00 129 V 7.85 3.57 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 1.13 0.00 0.00 0.97 0.00 0.00 130 L 7.87 3.97 0.00 2.00 1.72 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.45 4.08 0.00 3.91 4.02 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 0.00 132 A 8.12 3.99 1.42 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 0.00 0.00 0.00 133 V 8.14 3.63 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 1.01 0.00 0.00 0.94 0.00 0.00 134 A 8.75 4.25 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 0.00 135 E 8.40 3.93 0.00 1.99 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 2.25 2.23 0.00 136 I 7.52 3.90 2.04 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 1.52 0.56 0.91 0.00 0.00 137 E 8.06 3.96 0.00 2.18 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 2.33 2.59 0.00 138 R 8.17 3.89 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 139 E 8.28 3.94 0.00 2.14 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 2.30 2.35 0.00 140 N 8.34 4.30 0.00 2.93 2.87 0.00 0.00 7.03 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.65 3.70 2.03 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 1.66 0.98 0.91 0.00 0.00 142 R 8.05 3.92 0.00 1.99 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 143 I 7.89 3.73 2.00 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 1.52 0.84 0.91 0.00 0.00 144 Q 8.12 3.99 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 145 T 8.21 3.85 4.35 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 1.21 0.00 0.00 146 M 8.42 3.99 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 147 E 8.53 4.07 0.00 2.13 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 2.42 2.47 0.00 148 G 8.43 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 0.00 149 C 8.38 4.18 0.00 3.13 2.99 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 0.00 150 I 7.77 3.74 2.05 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 1.38 0.55 0.91 0.00 0.00 151 Q 8.16 4.21 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 152 K 8.28 4.16 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 153 A 7.86 4.35 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.14 4.12 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 155 E 7.67 4.30 0.00 2.01 1.68 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 2.16 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.