NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4218 8.3044 120.3281 54.7018 33.4829 174.3230 2 E 3.8123 8.3173 120.5712 55.2152 30.1390 174.7028 3 A 4.0768 9.2508 129.5990 52.3815 19.9736 177.1219 4 L 3.9775 8.6129 123.5248 57.5202 41.8275 178.6647 5 G 4.0306 9.7172 103.5322 44.7099 0.0000 172.4614 6 A 4.7339 7.2183 118.5868 50.6306 22.4677 175.9277 7 D 4.6389 9.1433 121.6475 53.7383 42.2042 175.7290 8 V 4.5578 8.4514 123.3784 61.4841 33.8758 175.2952 9 T 4.4639 7.7709 121.5531 61.5586 69.1495 173.8833 10 Q 3.8640 8.6790 124.6044 56.7697 28.8873 177.7209 11 G 4.0650 9.0705 109.6283 46.0741 0.0000 172.8354 12 L 5.0612 8.3694 120.5858 52.8928 46.1829 175.0642 13 E 5.0426 8.8805 119.7312 53.8976 34.1974 175.2070 14 K 4.1208 8.2124 122.1290 57.9916 32.2597 177.0019 15 G 3.9877 9.6205 116.4300 44.9490 0.0000 173.6089 16 S 4.4024 7.9050 116.1674 58.4071 64.2351 173.0188 17 L 5.2441 8.3625 122.5789 53.2461 43.4548 175.7008 18 I 4.7490 9.0211 116.1258 59.3861 42.0884 174.1418 19 T 4.2829 8.5269 119.1342 63.6994 69.6227 174.2133 20 C 5.0679 8.6071 126.3313 56.5804 31.1091 173.8200 21 A 4.5194 7.7936 132.8561 50.0677 16.0150 174.5218 22 D 5.0592 7.5966 119.1535 53.2677 42.3163 175.5748 23 N 5.0304 8.3603 115.2849 52.9418 37.6621 176.0301 24 T 3.9366 8.8722 111.8897 64.1601 69.4727 175.1219 25 G 3.9676 8.3421 109.0395 45.2164 0.0000 172.9487 26 A 4.6848 7.3648 122.2092 51.5260 20.1483 176.7390 27 R 4.4069 9.2445 122.2436 57.3847 32.2671 176.0332 28 E 5.0847 7.9290 119.2642 54.1947 32.5755 174.2701 29 L 5.1457 8.9272 126.5524 52.7677 45.2254 175.0846 30 K 4.8998 8.6192 124.1748 54.3903 34.6849 175.2574 31 V 4.0104 8.8590 128.6173 63.3946 32.0335 175.6201 32 I 4.3815 8.8615 128.2435 62.6857 39.2442 175.9414 33 S 4.7431 7.8007 115.2717 56.9568 68.1269 172.9628 34 V 4.6102 8.1492 120.8098 60.9790 33.8436 174.4421 35 H 4.2042 9.2106 128.5993 57.8994 30.0845 174.6553 36 G 3.9306 8.5355 112.8324 46.4198 0.0000 172.3295 37 Y 4.4909 7.5868 119.7259 56.1716 40.1160 175.1902 38 S 4.2631 6.7097 119.4396 56.9618 64.8309 174.6748 39 G 4.2806 7.8315 125.7149 44.1236 0.0000 174.3215 40 T 4.2160 8.4033 117.5411 60.2527 69.6689 171.7195 41 K 3.9599 8.6160 125.8971 58.4910 32.2465 176.6270 42 N 4.6650 9.0379 122.4976 53.5497 37.3832 174.6664 43 R 4.0625 7.7263 118.6313 55.9706 30.6307 175.5401 44 H 4.5187 8.6769 123.2307 54.6035 29.5572 173.3315 45 P 4.4636 0.0000 0.0000 63.2589 31.8828 175.1060 46 K 4.9290 7.8547 122.9530 55.0721 34.7153 175.4332 47 A 4.6470 9.1692 123.9822 50.5618 23.0387 175.5062 48 G 4.0607 9.0175 106.0484 44.7008 0.0000 171.1754 49 L 4.0818 8.6234 122.2389 57.0840 42.0767 178.0225 50 G 4.1268 8.9146 114.6033 45.1541 0.0000 172.6762 51 D 4.9208 7.9412 119.9020 53.0927 43.1438 175.2748 52 K 4.8583 8.6180 123.1214 55.2128 33.8734 175.2524 53 I 5.0681 8.7415 120.5046 59.4165 41.5686 174.2114 54 T 4.7172 8.8479 120.3856 62.6269 70.1661 174.2510 55 V 5.0628 9.4025 125.5720 61.1416 35.8306 173.9900 56 S 5.2236 8.6378 119.0947 56.4209 66.2628 173.0609 57 V 4.2649 8.4327 122.5277 63.0789 31.8475 176.3237 58 T 4.2311 8.8685 125.2188 64.8411 69.9201 175.6590 59 K 4.5796 9.0227 119.6405 53.3359 36.0605 177.0750 60 G 4.1523 8.7922 111.5443 44.3953 0.0000 171.7598 61 T 3.9993 7.6340 109.8915 61.1941 68.9396 173.3339 62 P 4.2766 0.0000 0.0000 65.8516 31.5257 178.0123 63 E 4.1385 8.0817 116.4014 59.0351 30.1295 177.9356 64 M 4.2077 8.1580 118.2538 57.7817 32.6214 176.6006 65 R 3.9793 7.4909 115.5032 57.2844 30.6941 177.4264 66 R 3.9885 8.8298 118.8804 56.7536 29.5466 176.9159 67 Q 4.1807 7.8940 117.8115 55.7771 30.1420 175.5045 68 V 4.7107 8.3185 122.6584 61.5408 32.7903 174.4286 69 L 4.9426 8.9461 127.5779 52.9465 46.2934 175.6694 70 E 4.9844 8.4952 118.5991 55.8991 31.9685 175.0930 71 A 4.9965 8.6785 122.4148 51.2729 23.7600 175.1042 72 V 4.4818 8.2285 118.4497 60.8475 34.6531 174.8286 73 V 4.0135 8.5141 128.4375 63.1146 31.9555 176.2623 74 V 4.1648 8.9500 127.8382 63.5750 33.9062 175.2322 75 R 4.2176 7.2866 117.4549 54.7581 35.0588 173.8748 76 Q 5.0310 7.7965 115.6375 55.5631 31.6002 174.4546 77 R 4.3701 9.1421 119.9353 56.8228 31.3517 177.7317 *78 K 4.3104 8.1167 120.0651 53.7559 33.5064 174.5928 79 P 4.9993 0.0000 0.0000 62.6231 32.8749 174.7239 80 I 4.8889 8.7698 114.8673 59.1633 41.4240 173.9853 81 R 5.0484 9.1934 122.8999 54.7530 32.7915 174.9630 82 R 4.8025 8.6098 124.5780 54.0525 32.4410 175.7701 83 P 4.1873 0.0000 0.0000 65.7696 31.3291 176.7330 84 D 4.7180 8.1929 116.4298 53.1687 39.7716 176.8448 85 G 4.3676 8.4090 105.7175 47.5699 0.0000 173.9055 86 T 4.5001 7.2098 115.3457 62.1817 70.1936 174.6244 87 R 4.9797 8.4480 124.0298 55.5344 31.9444 175.9838 88 V 4.5166 8.8238 121.6165 61.0251 34.7029 174.4572 89 K 5.0315 8.4045 125.3839 55.4331 35.8651 175.1793 90 F 4.7526 8.6816 119.9549 55.5816 41.3335 175.6238 91 E 4.1032 9.0313 120.2929 58.9520 29.6099 175.1492 92 D 4.8390 7.7566 115.7512 52.3957 43.1248 173.8513 93 N 5.1286 8.5701 114.6364 51.8117 41.1496 174.2213 94 A 5.1219 8.5603 122.6060 51.0934 23.5100 174.9112 95 A 4.9765 9.1789 120.7200 50.2582 23.5858 175.2113 96 V 4.5355 8.2597 119.6299 60.7121 34.0971 175.2796 97 I 4.2314 8.5695 129.3239 61.6871 37.9527 175.3467 98 V 4.8889 8.4543 125.8409 61.3581 35.0418 175.1407 99 D 4.8976 8.2860 124.4994 51.9468 41.7815 176.3769 100 E 3.9386 8.7902 118.2465 59.3931 28.6888 178.0130 101 N 4.7173 9.2903 115.1549 52.6594 38.6949 175.5455 102 E 3.8830 8.0844 116.0650 57.1215 27.7898 173.7579 103 D 4.9811 7.8432 119.3172 51.3379 42.0677 174.5430 104 P 4.7757 0.0000 0.0000 62.9718 31.8681 176.5388 105 R 3.9411 8.5269 121.9794 59.0110 30.1964 177.1050 106 G 3.9511 7.7246 105.5354 45.1677 0.0000 172.9789 107 T 4.2915 8.4370 114.6255 64.7280 69.0731 175.5031 108 E 4.8056 8.7685 119.8207 54.4618 33.8849 175.1180 109 L 4.6258 8.5475 122.4749 53.7206 43.6119 176.0290 110 K 4.3678 8.7416 122.0525 56.2011 33.7356 177.1707 111 G 3.8977 9.0104 111.4570 43.7303 0.0000 170.2779 112 P 4.9416 0.0000 0.0000 62.5910 32.6669 175.5310 113 I 4.7463 8.4102 119.7192 59.2788 41.7290 174.6163 114 A 5.0288 8.0663 125.8602 51.2932 18.8304 179.0502 115 R 3.8887 9.6482 119.9883 59.3517 29.2945 179.0435 116 E 4.0371 8.2818 117.7085 59.1413 29.9610 179.2329 117 V 3.7287 8.2452 118.4363 65.8381 31.2911 177.6219 118 A 4.0389 7.5359 118.7542 56.1622 18.1475 178.8637 119 Q 3.9086 7.6750 114.5522 58.9234 28.7170 178.7745 120 R 3.9073 7.5551 120.1051 58.1098 31.2244 177.6620 121 F 4.7527 7.8212 122.5137 55.2728 38.9775 176.4826 122 G 3.6237 8.4800 113.1554 47.5821 0.0000 172.9762 123 S 4.3550 8.0143 117.6883 60.5235 61.6036 176.4817 124 V 3.5562 7.9128 121.1980 65.6789 31.1202 177.4073 125 A 4.0026 8.2407 120.7081 55.1490 18.2145 182.0051 126 S 4.6000 8.8085 112.9214 58.1068 62.9795 175.4027 127 A 4.5819 9.0630 124.0946 52.4890 21.2775 177.3623 128 A 4.2016 7.2253 118.2210 52.3033 19.0277 177.9531 129 T 4.1596 8.5973 119.7945 65.9328 69.3148 175.1867 130 M 4.8747 7.8569 119.7522 53.4198 35.9618 174.9325 131 I 4.5704 8.4550 122.9168 59.7025 40.3523 175.5668 132 V 4.0249 8.9978 127.3502 62.8442 31.5374 175.5310 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 4.42 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 E 8.32 3.81 0.00 1.92 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 0.00 2.24 2.33 0.00 3 A 9.25 4.08 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 4 L 8.61 3.98 0.00 1.66 1.76 0.97 1.09 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 5 G 9.72 4.03 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 0.00 0.00 0.00 6 A 7.22 4.73 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 7 D 9.14 4.64 0.00 2.61 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 8 V 8.45 4.56 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 0.85 0.00 0.00 1.01 0.00 0.00 9 T 7.77 4.46 4.39 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 1.22 0.00 0.00 10 Q 8.68 3.86 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 11 G 9.07 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 12 L 8.37 5.06 0.00 1.62 1.49 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.88 5.04 0.00 1.84 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 2.20 2.21 0.00 14 K 8.21 4.12 0.00 1.70 1.69 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 15 G 9.62 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 16 S 7.90 4.40 0.00 3.85 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 17 L 8.36 5.24 0.00 1.50 1.56 0.96 0.80 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 18 I 9.02 4.75 1.99 0.00 0.00 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 1.33 1.17 0.88 0.00 0.00 19 T 8.53 4.28 4.39 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 1.22 0.00 0.00 20 C 8.61 5.07 0.00 2.98 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 21 A 7.79 4.52 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 22 D 7.60 5.06 0.00 2.80 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 23 N 8.36 5.03 0.00 2.81 2.90 0.00 0.00 5.95 7.71 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 24 T 8.87 3.94 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 1.24 0.00 0.00 25 G 8.34 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.36 4.68 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 27 R 9.24 4.41 0.00 1.82 1.95 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 28 E 7.93 5.08 0.00 2.00 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 2.24 2.28 0.00 29 L 8.93 5.15 0.00 1.55 1.48 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.62 4.90 0.00 1.79 1.62 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81 31 V 8.86 4.01 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 0.83 0.00 0.00 0.93 0.00 0.00 32 I 8.86 4.38 2.00 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 1.22 0.92 0.91 0.00 0.00 33 S 7.80 4.74 0.00 3.73 3.72 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 34 V 8.15 4.61 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 0.97 0.00 0.00 0.81 0.00 0.00 35 H 9.21 4.20 0.00 3.24 3.31 0.00 6.16 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 36 G 8.54 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 37 Y 7.59 4.49 0.00 3.06 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 38 S 6.71 4.26 0.00 3.65 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 39 G 7.83 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 0.00 0.00 0.00 40 T 8.40 4.22 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 1.23 0.00 0.00 41 K 8.62 3.96 0.00 1.75 1.75 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.04 4.67 0.00 2.95 3.04 0.00 0.00 7.06 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 43 R 7.73 4.06 0.00 1.82 2.10 0.00 3.37 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 44 H 8.68 4.52 0.00 3.33 3.20 0.00 5.77 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 45 P 0.00 4.46 0.00 2.03 2.39 0.00 3.71 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 2.07 2.03 0.00 46 K 7.85 4.93 0.00 1.66 1.75 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.17 1.24 7.81 47 A 9.17 4.65 1.11 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 0.00 0.00 48 G 9.02 4.06 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 0.00 0.00 0.00 49 L 8.62 4.08 0.00 1.71 1.64 0.74 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.91 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 51 D 7.94 4.92 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.86 0.00 1.90 1.70 0.00 1.58 0.00 0.00 2.00 0.00 0.00 2.63 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.38 1.45 7.81 53 I 8.74 5.07 1.97 0.00 0.00 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 1.29 0.89 0.87 0.00 0.00 54 T 8.85 4.72 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 55 V 9.40 5.06 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 1.13 0.00 0.00 0.89 0.00 0.00 56 S 8.64 5.22 0.00 3.90 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 57 V 8.43 4.26 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 1.01 0.00 0.00 0.91 0.00 0.00 58 T 8.87 4.23 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 1.30 0.00 0.00 59 K 9.02 4.58 0.00 1.73 1.64 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.53 7.81 60 G 8.79 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.63 4.00 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 1.24 0.00 0.00 62 P 0.00 4.28 0.00 2.05 2.16 0.00 3.67 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 2.02 2.11 0.00 63 E 8.08 4.14 0.00 1.95 2.00 0.00 0.00 0.00 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 2.27 0.00 64 M 8.16 4.21 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 65 R 7.49 3.98 0.00 1.97 1.88 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 66 R 8.83 3.99 0.00 1.95 2.08 0.00 3.16 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.89 4.18 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 68 V 8.32 4.71 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 0.83 0.00 0.00 0.92 0.00 0.00 69 L 8.95 4.94 0.00 1.53 1.48 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.50 4.98 0.00 2.02 1.79 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 2.32 2.28 0.00 71 A 8.68 5.00 1.12 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 0.00 0.00 72 V 8.23 4.48 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 0.39 0.00 0.00 -0.19 0.00 0.00 73 V 8.51 4.01 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 0.84 0.00 0.00 0.87 0.00 0.00 74 V 8.95 4.16 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 0.80 0.00 0.00 0.91 0.00 0.00 75 R 7.29 4.22 0.00 1.50 1.41 0.00 3.22 0.00 0.00 3.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.34 0.00 76 Q 7.80 5.03 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.09 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 77 R 9.14 4.37 0.00 1.85 1.92 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 *78 K 8.12 4.31 0.00 1.52 1.62 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.53 7.81 79 P 0.00 5.00 0.00 2.08 2.00 0.00 3.52 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.77 4.89 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.99 0.00 0.00 81 R 9.19 5.05 0.00 1.83 1.79 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 82 R 8.61 4.80 0.00 1.82 1.82 0.00 3.23 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 83 P 0.00 4.19 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 84 D 8.19 4.72 0.00 2.81 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 85 G 8.41 4.37 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 0.00 86 T 7.21 4.50 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 1.19 0.00 0.00 87 R 8.45 4.98 0.00 1.68 1.85 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 88 V 8.82 4.52 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 0.82 0.00 0.00 0.91 0.00 0.00 89 K 8.40 5.03 0.00 1.90 1.71 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.40 7.81 90 F 8.68 4.75 0.00 3.13 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 91 E 9.03 4.10 0.00 1.97 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 2.31 2.26 0.00 92 D 7.76 4.84 0.00 2.67 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 93 N 8.57 5.13 0.00 2.62 2.70 0.00 0.00 6.50 7.56 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 94 A 8.56 5.12 1.14 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 0.00 0.00 95 A 9.18 4.98 1.12 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 0.00 0.00 96 V 8.26 4.54 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 0.95 0.00 0.00 0.90 0.00 0.00 97 I 8.57 4.23 1.83 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 1.07 0.53 0.87 0.00 0.00 98 V 8.45 4.89 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 0.74 0.00 0.00 0.82 0.00 0.00 99 D 8.29 4.90 0.00 2.94 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 0.00 100 E 8.79 3.94 0.00 1.95 2.03 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 2.30 2.34 0.00 101 N 9.29 4.72 0.00 2.96 2.81 0.00 0.00 6.94 8.25 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 0.00 102 E 8.08 3.88 0.00 2.26 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 0.00 2.28 2.34 0.00 103 D 7.84 4.98 0.00 3.08 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.78 0.00 2.15 2.02 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 105 R 8.53 3.94 0.00 1.79 1.96 0.00 3.24 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.72 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 0.00 107 T 8.44 4.29 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 0.00 108 E 8.77 4.81 0.00 1.84 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 2.21 2.26 0.00 109 L 8.55 4.63 0.00 1.52 1.57 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.74 4.37 0.00 1.61 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.35 7.81 111 G 9.01 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 0.00 0.00 0.00 112 P 0.00 4.94 0.00 2.28 2.15 0.00 3.78 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 2.20 2.14 0.00 113 I 8.41 4.75 1.90 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 1.13 0.70 0.92 0.00 0.00 114 A 8.07 5.03 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 0.00 115 R 9.65 3.89 0.00 1.98 2.35 0.00 2.81 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 116 E 8.28 4.04 0.00 2.15 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 0.00 2.44 2.50 0.00 117 V 8.25 3.73 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 1.34 0.00 0.00 1.05 0.00 0.00 118 A 7.54 4.04 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 0.00 119 Q 7.67 3.91 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 R 7.56 3.91 0.00 0.99 0.66 0.00 3.04 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.50 0.00 121 F 7.82 4.75 0.00 3.14 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 0.00 122 G 8.48 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 0.00 123 S 8.01 4.36 0.00 4.08 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 0.00 124 V 7.91 3.56 2.38 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 1.02 0.00 0.00 0.88 0.00 0.00 125 A 8.24 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.81 4.60 0.00 4.03 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 0.00 127 A 9.06 4.58 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 0.00 128 A 7.23 4.20 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 0.00 129 T 8.60 4.16 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 0.00 130 M 7.86 4.87 0.00 1.95 1.94 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 2.55 0.00 131 I 8.45 4.57 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 9.00 4.02 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 0.85 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.