NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3722 8.3044 120.3478 55.9242 33.3480 173.9949 2 T 4.3206 7.3125 116.8429 62.7214 69.9472 170.4787 3 T 4.1564 9.6277 120.4490 64.8936 72.5914 175.7038 4 R 3.5091 7.5983 120.1465 56.7679 26.0177 176.1328 5 F 5.0453 7.7079 113.6038 57.8289 46.4560 174.9719 6 K 4.6961 7.5108 121.4602 56.1699 34.3650 174.3809 7 K 4.4768 7.8254 119.5164 56.4671 31.1099 175.1183 8 N 5.0593 7.9583 126.1830 52.8234 44.9160 173.5350 9 R 4.5007 8.1292 116.2682 55.7052 33.3729 174.4831 10 K 4.3824 8.7260 130.4649 56.6886 30.8452 176.5100 11 K 4.0849 8.0702 119.4431 57.6421 31.9284 173.6618 12 R 3.9725 8.7583 129.9404 55.3050 29.9335 177.0915 13 G 4.0932 8.4427 107.8948 46.4122 0.0000 172.3864 14 H 4.8961 8.2207 117.9097 54.8208 33.3108 173.5520 15 V 3.2609 6.9475 119.7933 62.7320 30.7426 173.3523 16 S 4.1027 7.7822 113.2247 61.1313 63.4941 175.7517 17 A 4.2158 8.1922 122.2791 53.8893 19.4881 177.9234 18 G 3.9580 8.2292 103.1532 48.5509 0.0000 173.4926 19 H 4.6998 8.1999 114.0248 55.9184 30.6026 174.5045 20 G 3.8915 7.5680 108.0878 44.7820 0.0000 172.2616 21 R 4.9953 7.2401 112.5513 55.6796 31.5640 173.3689 22 I 4.2048 9.3151 118.8714 60.4745 39.3481 173.7103 23 G 3.9212 8.0595 112.7953 45.0416 0.0000 174.8432 24 K 3.4675 8.1367 116.9214 57.8987 30.9517 173.9687 25 H 4.9773 8.6475 122.5186 55.4020 32.4531 173.7249 26 R 4.3832 7.9709 119.7662 55.4950 32.0188 171.2686 27 K 3.5756 8.3966 127.8015 56.5516 30.3174 174.1243 28 H 4.5589 7.9591 123.9868 55.4127 29.7779 173.8671 29 P 4.2083 0.0000 0.0000 64.4690 32.0304 176.0044 30 G 4.1336 9.1803 107.8026 43.7304 0.0000 174.0605 31 G 3.9566 8.4643 111.2980 46.1315 0.0000 172.8171 32 R 4.6054 7.3791 115.4996 54.4197 32.3353 175.6341 33 G 3.8021 8.7220 104.8514 47.6272 0.0000 173.4076 34 N 4.0438 9.2840 115.8076 52.7944 37.9267 175.3672 35 A 3.6375 7.9229 121.3263 51.6515 18.2436 177.3159 36 G 3.9909 8.6437 104.3896 46.4939 0.0000 174.5232 37 G 3.5810 7.0545 107.3968 46.5680 0.0000 174.5386 38 M 4.4050 7.9452 129.2852 54.1394 32.5200 175.4688 39 H 4.7305 7.8265 132.3807 55.3640 30.5668 173.8747 40 H 4.6438 8.8147 114.8775 55.8141 29.5508 173.6024 41 H 4.8460 8.2538 119.3270 55.4095 33.3067 172.3642 42 R 4.9016 8.1181 122.9214 54.3579 32.2891 175.1936 43 I 4.2826 8.7120 125.7229 60.4224 39.6090 174.3768 44 L 5.2438 8.4571 129.8493 53.6175 45.0174 175.2327 45 F 4.6566 8.9139 123.6470 55.5352 43.5044 174.2513 46 D 4.8466 8.6661 123.4449 53.9366 41.5497 177.6104 47 K 4.0068 8.8791 123.3623 59.2563 32.2160 179.0753 48 Y 4.2569 7.4623 119.4911 60.5055 38.1885 177.3890 49 H 3.6265 6.7882 118.5883 58.2990 30.0258 175.4499 50 P 4.2554 0.0000 0.0000 65.4464 30.9241 178.7154 51 G 3.9073 8.0361 103.3878 47.3429 0.0000 175.1168 52 Y 4.2370 7.9690 118.6947 60.4888 38.2202 178.1933 53 F 5.4923 7.8021 117.2056 57.4209 40.1628 178.8375 54 G 3.6223 8.4745 110.5460 48.7598 0.0000 176.9080 55 K 3.9908 8.2079 120.8653 58.4738 32.3362 177.7737 56 V 4.1213 7.8919 109.1373 61.4977 32.2673 175.7307 57 G 4.5412 7.7419 109.5597 45.5631 0.0000 174.8832 58 M 4.5199 7.8944 115.4303 55.6744 31.8262 177.7313 59 R 4.1076 7.5619 116.8202 55.9416 31.6232 175.5556 60 Y 4.6850 7.5881 117.6317 56.0625 39.7152 175.2570 61 F 4.3213 8.9477 124.0011 57.5320 39.5990 175.1619 62 H 4.4170 8.2572 119.0270 57.4004 29.5847 175.1717 63 R 4.7323 8.3886 118.8000 57.2870 33.2136 176.3912 64 L 4.1357 9.4370 115.9618 58.2117 41.5466 178.6642 *65 S 4.2587 7.9702 116.6244 58.0703 62.9967 175.6029 *66 N 4.5338 8.8051 121.3306 52.9733 37.9147 177.6329 *67 R 3.9803 8.6436 117.7109 60.8910 29.6196 179.5410 *68 F 4.0822 8.2361 117.5868 60.2243 38.1221 178.1217 *69 H 4.7488 8.2831 122.6954 55.0588 27.8000 177.7837 *70 C 4.9931 8.1902 123.8501 54.5266 31.1790 169.0598 71 P 4.6611 0.0000 0.0000 62.5673 31.5590 175.6410 72 A 4.5185 8.3083 125.5447 50.0523 22.8273 175.0835 73 V 3.9219 8.3339 122.7375 62.0470 32.2338 176.3608 74 N 4.1973 8.9992 126.8293 55.7269 39.1663 177.0020 75 V 3.5352 7.8291 117.4499 65.3302 31.5939 175.9759 76 E 4.6550 7.7757 115.6931 56.0374 29.6141 176.2555 77 R 4.4186 7.8242 117.2920 54.9602 31.8539 174.7558 78 L 3.6289 7.2589 117.8675 52.7256 42.4222 175.7575 79 W 4.4195 7.1616 124.7542 58.1497 29.2451 176.1839 80 S 4.1810 9.0986 116.9958 59.0902 60.2806 169.6912 81 M 4.2105 8.0523 120.3582 58.2082 32.2173 178.6980 82 V 3.6062 7.9025 117.1778 65.3817 31.7303 174.8185 83 P 4.4494 0.0000 0.0000 63.4607 31.5880 175.7626 84 A 4.5864 7.7018 122.7036 51.1110 20.0500 177.1150 85 E 4.2525 8.9811 122.7420 59.2250 30.2430 176.9144 86 A 4.6614 7.9403 118.5046 50.7035 23.1839 175.1808 87 G 4.3519 8.7834 106.6167 44.5291 0.0000 172.2455 88 A 5.2250 9.4563 128.2273 49.9921 22.4677 175.1042 89 G 3.8159 8.2044 108.4037 44.4230 0.0000 172.9630 90 A 4.8982 8.8289 127.7953 50.4614 21.7148 177.4871 91 G 4.0729 8.3762 105.9450 44.1155 0.0000 174.3107 92 K 3.7905 8.9017 122.4997 57.2018 32.7276 175.3667 93 A 3.6771 8.3515 131.3513 50.5835 17.9133 175.1384 94 P 4.6069 0.0000 0.0000 62.1710 32.2826 176.1701 95 V 4.5282 8.1021 118.4949 61.4332 34.3322 175.3739 96 I 4.6880 8.0924 125.0503 59.0597 37.8093 172.5574 97 D 4.7334 7.5357 118.9048 53.7414 44.5311 173.7591 98 V 4.7150 7.8393 118.8525 61.0805 32.1878 175.0242 99 T 3.8789 7.8638 112.4864 62.2611 68.8166 172.3999 100 Q 4.7111 8.2257 121.6735 53.0726 31.5516 173.4026 101 F 4.9019 8.5376 122.7092 56.0716 41.1833 174.7694 102 G 4.3094 8.4260 111.2339 45.1061 0.0000 172.3473 103 Y 5.3586 9.1477 122.1281 56.9202 42.8557 175.9276 104 T 4.5054 8.9282 115.6875 63.9678 70.1006 174.5596 105 K 4.7433 7.6392 120.9667 55.7938 35.5926 174.1707 106 V 4.3955 7.9641 123.0621 60.7484 34.8631 175.0062 107 L 4.1872 8.0530 125.6873 54.3349 42.2322 178.7413 108 G 3.5799 8.6432 110.2728 48.3852 0.0000 175.2450 109 K 4.5203 8.0413 117.6802 56.2529 32.3143 178.1713 110 G 3.7573 7.8343 108.0448 47.0006 0.0000 176.0017 111 M 4.2704 8.2266 119.0636 58.0440 31.4344 178.2831 112 L 4.0944 7.5606 120.0001 57.5829 42.1597 177.3021 113 P 4.3014 0.0000 0.0000 63.6706 31.4462 174.9207 114 P 5.0023 0.0000 0.0000 61.7022 31.7850 176.9622 115 E 3.5882 8.2507 118.9465 60.2362 29.4932 177.0070 116 R 3.8820 7.9069 118.3509 56.4412 29.4596 173.9838 117 P 4.1618 0.0000 0.0000 59.8255 30.3997 175.2837 118 I 5.0545 8.0550 122.8271 57.9303 41.5840 174.6465 119 V 4.2851 8.1785 124.7770 61.0335 33.5840 174.2791 120 V 4.5117 8.4434 128.9502 62.1150 32.4609 174.8304 121 K 4.6407 9.2286 129.9770 54.1528 34.3687 175.0166 122 A 4.5314 8.7416 130.0054 52.1541 18.9425 177.0015 123 K 4.2015 9.2108 124.5447 55.7511 33.1045 177.9122 124 L 3.9916 8.6388 123.2244 57.9020 41.3230 179.3671 125 I 3.8696 7.6791 116.2367 63.0251 38.0315 177.1604 126 S 5.0019 7.9224 114.9175 61.4279 62.3845 174.4829 127 K 3.5438 8.0094 117.6464 59.1065 31.9471 177.1510 128 V 4.2673 7.8148 119.8780 62.7734 33.3294 177.0620 129 A 4.4026 7.3003 122.3168 52.0531 15.7469 176.5509 130 E 4.6551 7.6014 120.4464 53.6599 33.3850 175.8377 131 K 4.2495 8.9580 124.6217 55.3589 31.2421 177.4970 132 K 4.2433 8.0494 129.3884 55.3378 31.1103 177.4046 133 I 4.0102 7.2489 123.7075 60.1554 37.2086 173.3496 134 K 3.8503 7.1343 120.3327 53.7684 32.2048 181.9498 135 A 3.6304 7.6380 123.5251 52.3632 19.7737 178.6659 136 A 4.3592 8.6102 120.9315 54.9688 21.6616 178.0967 137 G 3.7343 8.6467 108.0373 44.4021 0.0000 172.7563 138 G 3.8742 8.5122 107.8877 45.8262 0.0000 171.2654 139 A 4.7185 8.0709 120.5333 50.6163 22.4137 175.0698 140 V 4.4184 7.9916 117.8925 61.0690 33.6765 175.3180 141 L 4.4490 8.1787 125.0885 54.2866 42.5631 176.3208 142 L 4.7623 7.8988 118.8974 53.6292 45.2069 175.9057 143 T 4.3403 8.0021 115.1907 61.0907 70.2125 172.8703 144 A 4.2022 8.4948 125.9175 52.4259 18.4756 177.4985 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 M 8.30 4.37 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 7.31 4.32 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 3 T 9.63 4.16 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 1.29 0.00 0.00 4 R 7.60 3.51 0.00 1.61 1.97 0.00 3.13 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 5 F 7.71 5.05 0.00 3.19 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 6 K 7.51 4.70 0.00 1.94 2.00 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.41 7.81 7 K 7.83 4.48 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.43 7.81 8 N 7.96 5.06 0.00 2.69 2.68 0.00 0.00 7.03 7.65 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 9 R 8.13 4.50 0.00 1.78 1.81 0.00 3.29 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 10 K 8.73 4.38 0.00 1.81 2.25 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 11 K 8.07 4.08 0.00 1.76 2.10 0.00 1.71 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.35 7.81 12 R 8.76 3.97 0.00 2.10 1.93 0.00 3.18 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 13 G 8.44 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 14 H 8.22 4.90 0.00 3.08 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.95 3.26 1.95 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 0.64 0.00 0.00 0.85 0.00 0.00 16 S 7.78 4.10 0.00 4.04 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 17 A 8.19 4.22 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 18 G 8.23 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 19 H 8.20 4.70 0.00 3.23 3.33 0.00 5.55 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.57 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 0.00 0.00 0.00 21 R 7.24 5.00 0.00 1.87 1.86 0.00 2.94 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 22 I 9.32 4.20 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 1.34 0.61 0.91 0.00 0.00 23 G 8.06 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 0.00 0.00 0.00 24 K 8.14 3.47 0.00 1.88 1.71 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 25 H 8.65 4.98 0.00 3.08 3.19 0.00 5.92 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.97 4.38 0.00 1.88 1.82 0.00 3.28 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 27 K 8.40 3.58 0.00 1.87 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.37 7.81 28 H 7.96 4.56 0.00 3.13 3.13 0.00 5.98 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.21 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.70 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 30 G 9.18 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 31 G 8.46 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 32 R 7.38 4.61 0.00 1.88 1.86 0.00 3.16 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 33 G 8.72 3.80 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 0.00 34 N 9.28 4.04 0.00 2.73 2.85 0.00 0.00 6.76 7.35 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 35 A 7.92 3.64 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 36 G 8.64 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 37 G 7.05 3.58 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 0.00 0.00 0.00 38 M 7.95 4.41 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 39 H 7.83 4.73 0.00 3.18 2.73 0.00 5.79 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.81 4.64 0.00 3.17 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.25 4.85 0.00 3.20 3.13 0.00 5.61 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 42 R 8.12 4.90 0.00 1.63 1.79 0.00 3.23 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 43 I 8.71 4.28 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 1.06 0.00 0.00 44 L 8.46 5.24 0.00 1.60 1.41 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.91 4.66 0.00 2.81 2.74 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 46 D 8.67 4.85 0.00 2.71 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 47 K 8.88 4.01 0.00 2.02 1.82 0.00 1.27 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.70 7.81 48 Y 7.46 4.26 0.00 3.42 3.39 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 49 H 6.79 3.63 0.00 2.61 2.86 0.00 5.61 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 50 P 0.00 4.26 0.00 2.00 2.02 0.00 3.51 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 G 8.04 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 0.00 0.00 0.00 52 Y 7.97 4.24 0.00 2.49 2.42 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 53 F 7.80 5.49 0.00 3.29 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 54 G 8.47 3.62 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 0.00 55 K 8.21 3.99 0.00 1.79 1.93 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 56 V 7.89 4.12 1.97 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 0.76 0.00 0.00 0.90 0.00 0.00 57 G 7.74 4.54 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 58 M 7.89 4.52 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 59 R 7.56 4.11 0.00 1.05 1.53 0.00 3.23 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 60 Y 7.59 4.69 0.00 3.07 2.86 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 61 F 8.95 4.32 0.00 2.92 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 62 H 8.26 4.42 0.00 3.17 3.50 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.39 4.73 0.00 1.75 1.62 0.00 3.23 0.00 0.00 3.20 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 64 L 9.44 4.14 0.00 1.67 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *65 S 7.97 4.26 0.00 3.65 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 *66 N 8.81 4.53 0.00 2.64 2.78 0.00 0.00 6.80 7.66 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 *67 R 8.64 3.98 0.00 1.82 1.89 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 *68 F 8.24 4.08 0.00 2.29 2.24 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 *69 H 8.28 4.75 0.00 2.68 2.93 0.00 7.12 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 C 8.19 4.99 0.00 2.48 2.79 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 71 P 0.00 4.66 0.00 2.03 2.18 0.00 3.80 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 2.21 2.06 0.00 72 A 8.31 4.52 0.75 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 73 V 8.33 3.92 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 1.05 0.00 0.00 0.91 0.00 0.00 74 N 9.00 4.20 0.00 2.14 2.49 0.00 0.00 6.38 7.75 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 75 V 7.83 3.54 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 0.88 0.00 0.00 0.94 0.00 0.00 76 E 7.78 4.66 0.00 2.18 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 2.44 0.00 77 R 7.82 4.42 0.00 1.36 1.63 0.00 2.78 0.00 0.00 2.77 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.39 0.00 78 L 7.26 3.63 0.00 1.58 1.38 1.00 0.22 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 79 W 7.16 4.42 0.00 3.43 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 80 S 9.10 4.18 0.00 4.13 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 81 M 8.05 4.21 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 82 V 7.90 3.61 2.11 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 0.92 0.00 0.00 0.98 0.00 0.00 83 P 0.00 4.45 0.00 2.24 2.17 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 84 A 7.70 4.59 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 85 E 8.98 4.25 0.00 2.01 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 2.34 2.43 0.00 86 A 7.94 4.66 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 87 G 8.78 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 0.00 0.00 0.00 0.00 88 A 9.46 5.22 1.16 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 0.00 0.00 0.00 89 G 8.20 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 90 A 8.83 4.90 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 91 G 8.38 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 0.00 0.00 0.00 92 K 8.90 3.79 0.00 1.77 1.90 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 93 A 8.35 3.68 0.81 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 0.00 0.00 94 P 0.00 4.61 0.00 2.11 2.03 0.00 3.81 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 95 V 8.10 4.53 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 0.96 0.00 0.00 1.07 0.00 0.00 96 I 8.09 4.69 1.91 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 1.32 0.96 0.95 0.00 0.00 97 D 7.54 4.73 0.00 2.66 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 98 V 7.84 4.71 2.08 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 1.11 0.00 0.00 0.94 0.00 0.00 99 T 7.86 3.88 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 0.00 100 Q 8.23 4.71 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 101 F 8.54 4.90 0.00 2.98 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 0.00 0.00 0.00 102 G 8.43 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 0.00 0.00 0.00 0.00 103 Y 9.15 5.36 0.00 2.81 2.90 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 0.00 104 T 8.93 4.51 4.48 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 1.23 0.00 0.00 105 K 7.64 4.74 0.00 1.82 1.55 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.38 7.81 106 V 7.96 4.40 1.97 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 0.63 0.00 0.00 0.83 0.00 0.00 107 L 8.05 4.19 0.00 1.75 1.50 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.64 3.58 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 0.00 0.00 0.00 109 K 8.04 4.52 0.00 1.80 1.80 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 110 G 7.83 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 0.00 0.00 0.00 111 M 8.23 4.27 0.00 2.17 2.25 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 2.61 2.55 0.00 112 L 7.56 4.09 0.00 1.88 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.30 0.00 2.09 2.12 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 114 P 0.00 5.00 0.00 2.34 2.36 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 115 E 8.25 3.59 0.00 2.10 2.28 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 2.34 2.31 0.00 116 R 7.91 3.88 0.00 1.80 1.97 0.00 3.19 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 117 P 0.00 4.16 0.00 2.06 1.99 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 118 I 8.05 5.05 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.13 1.00 0.00 0.00 119 V 8.18 4.29 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 0.94 0.00 0.00 0.93 0.00 0.00 120 V 8.44 4.51 2.33 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 0.99 0.00 0.00 1.04 0.00 0.00 121 K 9.23 4.64 0.00 1.82 1.64 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.38 7.81 122 A 8.74 4.53 1.27 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 0.00 0.00 123 K 9.21 4.20 0.00 1.93 1.72 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 124 L 8.64 3.99 0.00 1.74 1.72 0.93 0.63 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 0.00 125 I 7.68 3.87 1.89 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 1.54 0.76 0.93 0.00 0.00 126 S 7.92 5.00 0.00 4.01 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 0.00 127 K 8.01 3.54 0.00 1.90 1.68 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 128 V 7.81 4.27 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 0.87 0.00 0.00 1.02 0.00 0.00 129 A 7.30 4.40 1.30 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 0.00 0.00 130 E 7.60 4.66 0.00 1.86 1.77 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 2.18 2.37 0.00 131 K 8.96 4.25 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.37 7.81 132 K 8.05 4.24 0.00 1.70 1.75 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.49 7.81 133 I 7.25 4.01 1.87 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 1.42 0.95 0.95 0.00 0.00 134 K 7.13 3.85 0.00 1.96 1.79 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.42 7.81 135 A 7.64 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.61 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.65 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.51 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 0.00 139 A 8.07 4.72 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.99 4.42 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 0.89 0.00 0.00 0.95 0.00 0.00 141 L 8.18 4.45 0.00 1.70 1.60 0.98 0.91 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 0.00 142 L 7.90 4.76 0.00 1.58 1.52 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.00 4.34 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 1.25 0.00 0.00 144 A 8.49 4.20 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 * Residues marked with a * may have inaccurate shift predictions.