NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3407 8.3149 120.1416 55.4571 33.6924 175.4257 2 P 4.3684 0.0000 0.0000 61.7017 32.1613 176.4710 3 G 3.7112 9.0305 109.1119 47.5346 0.0000 175.4218 4 A 3.9856 8.1230 122.0226 55.7753 18.2634 179.1269 5 M 3.9439 7.7139 115.6046 57.4668 32.2679 176.7187 6 Y 4.7959 8.0067 113.9016 57.1326 40.3494 176.8331 7 R 4.3486 7.9758 115.9578 56.9233 29.9196 175.6913 8 N 5.1320 7.4222 115.9519 52.0902 40.6188 174.9054 9 S 4.7306 8.2566 116.8122 58.5452 63.2150 175.6129 10 S 4.3425 7.9290 115.5089 59.9633 63.8257 174.7439 11 K 4.3570 7.7439 119.6646 54.7003 32.8811 174.6301 12 P 4.4794 0.0000 0.0000 62.0261 31.9256 176.4481 13 A 4.3350 8.4929 123.7186 52.4750 18.8842 176.7969 14 Y 4.8762 8.7378 123.6518 56.2626 40.0155 175.4459 15 T 4.5451 8.1804 114.0608 61.2980 71.8786 174.5085 16 R 4.1613 7.8689 121.4274 56.3103 28.4757 177.1933 17 R 3.9120 8.3164 123.3612 58.2197 30.3389 178.8360 18 E 3.9430 7.7933 114.5776 57.9538 29.8276 176.7876 19 Y 4.8460 7.8571 115.4968 57.3927 39.3365 175.1035 20 I 4.6513 7.4639 119.8622 59.3976 40.3745 174.8042 21 S 4.7281 8.3870 118.4872 57.1211 65.9208 172.9723 22 G 3.8207 8.5266 105.9232 46.7852 0.0000 173.8258 23 I 4.1513 7.7423 120.1485 59.0001 38.1533 174.6552 24 P 4.3358 0.0000 0.0000 62.3234 31.8033 176.6442 25 G 3.7796 8.3259 110.4525 45.1417 0.0000 173.2077 26 K 4.1923 8.2561 121.2683 55.8982 32.8664 177.1683 27 K 4.2296 8.7907 122.6206 57.0029 32.6109 177.0730 28 I 4.0871 7.6008 120.1380 60.8379 36.8170 175.6525 29 A 4.1755 10.3966 130.1192 54.7788 18.3702 177.2501 30 Q 4.8187 7.5473 110.9020 54.8027 33.1780 174.3634 31 F 4.3886 9.0026 116.4061 57.6236 42.2616 175.0768 32 D 5.5013 8.3926 118.0856 52.8793 42.6396 175.7849 33 M 4.7938 9.0749 122.3580 54.0047 36.3588 176.3210 34 G 3.3524 8.7715 106.5790 46.6181 0.0000 176.4139 35 N 4.6163 8.4018 113.4377 52.2444 36.8664 175.2825 36 N 4.6532 8.1549 116.6434 53.8151 38.3807 177.5833 37 G 3.6109 8.0338 108.0185 47.9366 0.0000 174.0674 38 A 4.4325 7.5670 121.9368 50.9651 20.0117 176.6897 39 G 4.0502 8.0763 108.4197 43.1410 0.0000 171.9153 40 P 4.2755 0.0000 0.0000 62.8176 29.7042 176.8694 41 T 4.5942 7.6177 108.4333 61.4799 69.8873 174.9429 42 Y 4.7356 7.9407 118.1811 56.8803 40.4701 174.7203 43 P 4.3860 0.0000 0.0000 65.4745 31.9695 176.6731 44 A 5.5986 8.1106 119.8507 49.9574 21.6511 176.0250 45 Q 4.5536 8.4335 121.2473 53.9386 31.7988 173.7727 46 V 4.8482 8.1103 126.3465 61.6434 34.3834 174.1419 47 E 4.9525 9.8817 124.0286 54.5469 34.4291 174.1991 48 L 4.2915 7.8174 125.5171 53.5060 43.7594 175.2191 49 V 5.0231 8.4512 127.6559 60.1236 32.9973 175.0455 50 V 3.9009 8.3043 128.7590 63.1745 32.4383 175.7143 51 E 4.6365 8.5462 125.7302 56.1116 30.0885 176.0929 52 K 4.5715 7.5677 117.9056 54.2263 36.2169 173.9789 53 P 4.5169 0.0000 0.0000 62.9286 31.9196 175.9828 54 V 4.6254 8.7346 115.3377 60.6791 37.2507 172.7963 55 Q 5.1196 8.6439 119.7229 54.3814 31.5039 175.3515 56 I 4.4819 8.5828 124.3537 59.1780 40.1654 175.5783 57 R 4.4296 8.6426 127.0143 56.2107 30.7807 177.7271 58 H 4.1228 8.9852 118.1914 59.1528 28.1522 177.0967 59 N 4.0658 8.1078 118.5854 56.6041 38.2948 176.7549 60 A 4.0338 7.8476 121.2348 54.9904 18.5734 179.5421 61 L 3.8279 7.8226 117.6268 58.0504 41.7126 179.2289 62 E 3.9138 8.1888 118.8923 59.3178 29.5461 178.7720 63 A 3.9887 8.0210 120.3356 54.8037 18.3882 179.5663 64 A 3.9561 8.3026 119.5599 55.2948 18.5241 179.7725 65 R 3.7959 8.5927 117.6143 59.6188 30.1772 178.5419 66 V 3.5668 7.9886 117.7709 66.2998 31.3298 177.6778 67 A 4.0102 7.9390 118.7739 54.8506 17.9722 179.0827 68 A 4.4650 7.6256 120.0113 54.1778 19.2102 179.2609 69 N 3.9667 8.5084 115.9456 56.7885 38.9324 176.9889 70 R 3.8355 8.4428 119.1058 59.4159 30.1994 177.0677 71 Y 4.2820 7.5141 117.7625 59.3652 38.5747 177.2646 72 V 3.4415 7.4441 116.7497 62.2762 31.6870 176.6761 73 Q 4.3259 7.5097 119.6455 56.1181 27.7606 175.3469 74 N 4.6952 7.3559 112.6735 53.1532 40.6819 174.0529 75 S 4.5110 7.7338 109.8522 58.1112 65.1418 174.9649 76 G 3.9784 8.2830 107.2354 44.8501 0.0000 174.2648 77 A 3.9483 8.5867 123.4607 54.4402 18.3495 178.2758 78 A 4.6298 7.6455 117.0346 51.4237 19.6323 175.7971 79 A 4.1948 7.9585 123.0898 54.2172 18.9936 179.0763 80 N 4.7952 8.2406 119.0092 51.6599 37.6434 172.9765 81 Y 4.7700 6.9431 119.3085 55.4366 41.6244 173.4327 82 K 5.0670 8.5974 119.0498 55.2031 36.1890 174.6273 83 F 5.8879 9.2893 126.3108 56.7091 42.0852 174.1826 84 R 5.2111 9.4484 124.6560 54.4907 34.1452 173.9387 85 I 4.5946 8.2268 124.4296 59.3259 38.4620 175.4584 86 R 4.4513 8.5156 126.6463 57.5865 30.1450 176.9852 87 K 4.7289 7.9042 118.8879 55.0150 33.8039 175.5988 88 F 4.5965 8.4656 119.9387 54.6861 41.7433 173.9584 89 P 4.4789 0.0000 0.0000 63.0206 30.0450 175.4465 90 F 4.5659 8.3542 123.4963 59.6127 40.2662 175.9166 91 H 4.5515 8.1598 121.8429 56.2504 30.3871 174.9797 92 V 4.3691 8.7797 128.0084 62.7603 32.2357 175.2370 93 I 4.6703 8.8579 121.0550 59.3196 40.4324 175.1040 94 R 5.1915 8.4311 123.5939 54.2023 33.2897 174.5165 95 E 4.5881 8.2651 118.4859 55.5915 33.1908 174.0598 96 N 5.1187 8.8242 126.0447 52.0016 37.8777 173.3782 97 K 4.4865 7.7057 123.8017 54.3451 31.9723 175.6963 *109 D 4.4905 7.7576 122.2652 55.0012 44.1271 172.0670 110 G 4.0777 8.9023 118.2680 46.4277 0.0000 173.5982 111 M 4.3822 9.2480 119.2904 54.8630 33.2208 176.0365 112 R 3.9365 7.8769 119.6175 57.2830 31.4508 176.1671 113 A 3.8012 8.4730 126.3311 52.8906 15.7187 174.8973 114 P 4.8523 0.0000 0.0000 61.6673 32.5184 176.7096 115 F 3.9323 8.1956 122.0178 58.3118 39.0477 174.5924 116 G 3.9577 8.0352 116.0915 46.3449 0.0000 171.1946 117 K 4.8478 8.5562 118.3745 53.9464 35.2751 174.2234 118 P 4.6115 0.0000 0.0000 63.8773 31.1118 176.2934 119 V 4.2984 8.4624 116.4842 61.5905 34.4369 175.4028 120 G 4.1266 7.3022 105.0906 46.2276 0.0000 172.1741 121 T 5.3223 7.9594 107.8478 60.3739 72.5528 172.6607 122 A 5.1136 8.9989 122.7855 50.8350 23.4435 174.6970 123 A 4.8123 8.9107 121.7346 50.2844 21.6455 176.3732 124 R 4.7031 8.6808 121.6776 55.3150 31.1352 176.0293 125 V 4.4531 8.5679 124.5921 61.3442 34.4968 174.4738 126 H 4.9269 8.9125 124.0961 53.6768 30.5092 174.7730 127 G 3.8294 8.5003 110.6742 47.7695 0.0000 173.5742 128 A 3.9108 9.9245 127.4286 51.5607 18.1056 177.8754 129 N 4.8130 7.9253 113.4684 52.8435 40.4181 173.6332 130 H 5.1220 8.1727 116.2735 54.3466 30.0594 174.4397 131 I 3.9024 8.5247 122.8788 62.0461 39.5115 175.2005 132 F 5.3384 7.5535 119.0690 55.5916 43.0803 174.6444 133 I 5.0108 9.0457 122.5170 60.0504 40.9556 174.0751 134 A 5.5091 9.3419 128.6712 49.9168 22.8939 174.8309 135 W 5.1292 9.1390 119.0880 54.8518 32.5849 175.2769 136 V 4.8711 8.7702 123.3008 60.1499 34.8632 174.5151 137 N 5.0655 8.8796 118.7252 51.4633 40.1856 172.5647 138 P 4.4239 0.0000 0.0000 62.2593 31.0118 176.6750 139 D 4.6281 7.4763 123.4866 52.5456 42.0666 176.5341 140 P 4.4638 0.0000 0.0000 62.8662 29.5354 176.6986 141 N 4.7006 7.8815 119.1701 53.6165 39.6147 176.7585 142 V 3.0393 7.2441 120.8922 64.6527 31.4431 177.8491 143 E 3.7887 7.9124 118.7388 59.0864 29.0774 178.7183 144 E 3.9398 7.9515 118.6880 58.4760 29.6613 178.1326 145 A 3.8835 7.8519 120.3071 53.6869 18.3424 178.6027 146 W 4.8699 7.4003 115.8583 57.5353 29.7448 178.4469 147 R 4.0159 7.5276 119.0239 58.9001 29.5313 177.6445 148 R 4.1049 7.8398 116.0237 58.0729 31.0504 178.6024 149 A 4.0350 8.0789 121.1565 55.2048 18.5191 179.0075 150 K 4.2166 7.9573 111.3301 57.7250 32.4657 177.4326 151 M 4.2007 7.5941 119.4873 57.2296 32.4589 176.9254 152 K 4.6220 7.8678 116.3717 55.7786 32.6124 176.0424 153 V 4.5203 7.3735 111.0141 59.5339 35.1890 175.5090 154 T 4.0158 8.9407 121.5148 66.3172 68.3597 173.0322 155 P 4.4936 0.0000 0.0000 62.6095 32.4944 175.7491 156 T 4.3678 8.0908 115.3195 63.6679 69.8638 173.7858 157 I 5.1117 8.0982 122.9432 59.7657 42.0521 173.9764 158 N 4.8751 9.0525 122.4983 52.0049 41.3788 173.5007 159 I 4.6998 8.5638 127.8671 60.6400 37.6474 174.3044 160 D 4.9456 9.1373 128.2234 52.4269 43.3235 174.7661 161 S 4.8254 8.7091 120.2793 58.6425 63.9821 170.8267 162 S 4.3590 9.3525 122.4071 58.4680 64.0011 174.4748 163 P 4.3265 0.0000 0.0000 64.3630 32.3987 175.5175 164 A 4.8200 8.0865 125.8521 52.2444 19.8804 175.6542 165 G 4.1084 8.3597 110.5068 45.4246 0.0000 172.5161 166 N 4.6992 7.9821 116.1176 51.4877 37.5606 175.1670 167 A 4.2993 7.5884 124.2219 52.2684 19.2228 177.3990 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 K 8.31 4.34 0.00 1.90 1.92 0.00 1.98 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.55 7.81 2 P 0.00 4.37 0.00 2.26 1.97 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 3 G 9.03 3.71 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 0.00 0.00 0.00 4 A 8.12 3.99 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 5 M 7.71 3.94 0.00 1.05 1.81 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 6 Y 8.01 4.80 0.00 3.04 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 7 R 7.98 4.35 0.00 2.00 2.31 0.00 3.10 0.00 0.00 3.30 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 8 N 7.42 5.13 0.00 2.85 2.75 0.00 0.00 6.90 7.45 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 9 S 8.26 4.73 0.00 3.82 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 10 S 7.93 4.34 0.00 3.97 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 11 K 7.74 4.36 0.00 1.86 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 12 P 0.00 4.48 0.00 2.12 2.04 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 13 A 8.49 4.34 1.34 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 0.00 0.00 0.00 14 Y 8.74 4.88 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.18 4.55 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 1.41 0.00 0.00 16 R 7.87 4.16 0.00 2.10 2.12 0.00 3.30 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.32 3.91 0.00 1.80 1.92 0.00 3.12 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 18 E 7.79 3.94 0.00 1.39 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 1.54 1.47 0.00 19 Y 7.86 4.85 0.00 2.92 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 20 I 7.46 4.65 1.72 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.85 0.00 0.00 21 S 8.39 4.73 0.00 3.93 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 22 G 8.53 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 23 I 7.74 4.15 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 1.39 0.59 0.88 0.00 0.00 24 P 0.00 4.34 0.00 1.99 1.98 0.00 3.65 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 2.06 2.08 0.00 25 G 8.33 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.26 4.19 0.00 1.73 1.76 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.60 1.52 7.81 27 K 8.79 4.23 0.00 1.71 1.80 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.46 7.81 28 I 7.60 4.09 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.42 0.17 0.00 0.00 29 A 10.40 4.18 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 30 Q 7.55 4.82 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 31 F 9.00 4.39 0.00 3.11 3.15 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 32 D 8.39 5.50 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 9.07 4.79 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 34 G 8.77 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 0.00 0.00 0.00 35 N 8.40 4.62 0.00 2.77 2.80 0.00 0.00 7.19 6.48 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 36 N 8.15 4.65 0.00 2.86 3.00 0.00 0.00 6.32 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 37 G 8.03 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.43 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 39 G 8.08 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 40 P 0.00 4.28 0.00 1.68 0.88 0.00 3.44 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.00 41 T 7.62 4.59 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 1.18 0.00 0.00 42 Y 7.94 4.74 0.00 3.19 3.27 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 43 P 0.00 4.39 0.00 2.13 2.17 0.00 4.10 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 44 A 8.11 5.60 1.34 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 0.00 0.00 0.00 45 Q 8.43 4.55 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.02 1.24 0.00 46 V 8.11 4.85 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 1.24 0.00 0.00 0.86 0.00 0.00 47 E 9.88 4.95 0.00 1.73 1.64 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 2.04 2.32 0.00 48 L 7.82 4.29 0.00 0.27 0.97 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.45 5.02 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 1.40 0.00 0.00 0.91 0.00 0.00 50 V 8.30 3.90 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 0.93 0.00 0.00 0.85 0.00 0.00 51 E 8.55 4.64 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 52 K 7.57 4.57 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.45 7.81 53 P 0.00 4.52 0.00 1.93 1.68 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 54 V 8.73 4.63 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 0.78 0.00 0.00 0.94 0.00 0.00 55 Q 8.64 5.12 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 56 I 8.58 4.48 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.85 0.00 0.00 57 R 8.64 4.43 0.00 1.85 1.83 0.00 2.91 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 58 H 8.99 4.12 0.00 3.32 3.50 0.00 5.28 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.11 4.07 0.00 2.73 2.81 0.00 0.00 7.05 8.12 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 60 A 7.85 4.03 1.34 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 0.00 0.00 0.00 61 L 7.82 3.83 0.00 1.77 1.55 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.19 3.91 0.00 2.03 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 2.38 2.36 0.00 63 A 8.02 3.99 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 64 A 8.30 3.96 1.64 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 65 R 8.59 3.80 0.00 2.18 2.00 0.00 3.19 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 66 V 7.99 3.57 2.13 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 0.97 0.00 0.00 1.01 0.00 0.00 67 A 7.94 4.01 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 68 A 7.63 4.46 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 3.97 0.00 3.00 2.90 0.00 0.00 6.91 7.22 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 70 R 8.44 3.84 0.00 1.88 2.06 0.00 3.33 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 71 Y 7.51 4.28 0.00 3.16 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 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6.78 7.54 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 81 Y 6.94 4.77 0.00 3.11 2.97 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 82 K 8.60 5.07 0.00 2.00 1.94 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.11 1.59 7.81 83 F 9.29 5.89 0.00 3.35 3.19 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 0.00 84 R 9.45 5.21 0.00 2.15 2.00 0.00 3.37 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.05 0.00 85 I 8.23 4.59 1.64 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.03 0.48 0.00 0.00 86 R 8.52 4.45 0.00 1.99 2.17 0.00 3.21 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 87 K 7.90 4.73 0.00 1.66 1.77 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.32 7.81 88 F 8.47 4.60 0.00 2.21 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 0.00 0.00 0.00 0.00 89 P 0.00 4.48 0.00 2.11 2.06 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 90 F 8.35 4.57 0.00 3.16 3.14 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 91 H 8.16 4.55 0.00 3.32 3.40 0.00 5.78 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.78 4.37 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 0.92 0.00 0.00 0.91 0.00 0.00 93 I 8.86 4.67 1.68 0.00 0.00 0.55 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 0.18 1.04 0.00 0.00 94 R 8.43 5.19 0.00 1.52 1.89 0.00 2.49 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 95 E 8.27 4.59 0.00 2.19 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 2.31 2.35 0.00 96 N 8.82 5.12 0.00 2.91 2.66 0.00 0.00 6.80 6.18 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 125 V 8.57 4.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.88 0.00 0.00 126 H 8.91 4.93 0.00 3.27 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.50 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 9.92 3.91 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 0.00 129 N 7.93 4.81 0.00 2.69 2.66 0.00 0.00 6.54 8.03 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 0.00 130 H 8.17 5.12 0.00 3.00 3.17 0.00 5.51 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.52 3.90 1.63 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 1.01 0.62 0.00 0.00 132 F 7.55 5.34 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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141 N 7.88 4.70 0.00 2.54 2.72 0.00 0.00 6.75 7.68 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 0.00 142 V 7.24 3.04 1.46 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 0.53 0.00 0.00 -0.39 0.00 0.00 143 E 7.91 3.79 0.00 1.92 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 2.41 2.34 0.00 144 E 7.95 3.94 0.00 2.02 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 2.00 1.72 0.00 145 A 7.85 3.88 1.08 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 0.00 146 W 7.40 4.87 0.00 3.52 3.17 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 0.00 0.00 0.00 147 R 7.53 4.02 0.00 1.69 1.87 0.00 3.21 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 148 R 7.84 4.10 0.00 1.81 1.88 0.00 2.85 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 149 A 8.08 4.04 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 0.00 150 K 7.96 4.22 0.00 1.90 1.93 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.52 7.81 151 M 7.59 4.20 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 152 K 7.87 4.62 0.00 1.80 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 153 V 7.37 4.52 2.06 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 0.75 0.00 0.00 0.94 0.00 0.00 154 T 8.94 4.02 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 0.00 155 P 0.00 4.49 0.00 2.15 2.03 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.09 4.37 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 1.23 0.00 0.00 157 I 8.10 5.11 1.86 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 1.19 0.76 0.86 0.00 0.00 158 N 9.05 4.88 0.00 2.88 2.62 0.00 0.00 7.54 7.76 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 0.00 159 I 8.56 4.70 1.96 0.00 0.00 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 1.45 0.78 1.16 0.00 0.00 160 D 9.14 4.95 0.00 2.70 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 0.00 161 S 8.71 4.83 0.00 3.94 3.75 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 0.00 162 S 9.35 4.36 0.00 3.96 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 0.00 163 P 0.00 4.33 0.00 2.32 2.12 0.00 3.78 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 2.28 2.19 0.00 164 A 8.09 4.82 1.25 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 0.00 0.00 165 G 8.36 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 0.00 0.00 0.00 166 N 7.98 4.70 0.00 2.74 2.81 0.00 0.00 7.01 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 0.00 167 A 7.59 4.30 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 * Residues marked with a * may have inaccurate shift predictions.