NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1976 8.4449 120.2000 56.7189 31.0888 176.5564 3 H 4.5094 8.4259 122.4075 53.3390 27.3252 168.5589 4 V 4.3462 7.7408 120.6444 60.6842 35.9213 174.1702 5 A 4.5353 8.3726 129.5868 50.5405 19.9359 176.1990 6 F 2.9025 8.5243 123.8099 59.6815 39.5651 175.6551 7 G 3.5999 7.5701 114.9849 45.2076 0.0000 173.6151 8 S 4.1135 7.3388 116.3942 58.2881 63.3322 175.3377 9 E 3.9676 8.7996 125.0564 58.4770 29.8141 177.0518 10 D 4.9465 7.7445 117.2642 52.7720 40.0857 177.7865 11 I 3.5306 7.5240 122.8407 64.9856 37.4694 177.1919 12 E 4.0495 8.0681 117.2233 59.3436 29.4542 178.5704 13 N 4.5247 8.2588 117.5422 56.4876 38.4474 177.5460 14 T 3.8901 7.7348 115.4807 66.4031 68.7522 175.8368 15 L 4.2172 7.8272 117.5536 55.0867 41.8775 178.0360 16 A 4.4454 7.5142 121.5422 52.5189 18.3719 175.5069 17 K 3.4668 8.0747 118.6815 56.5330 29.9067 174.6661 *19 D 4.5057 8.0261 122.6952 52.8547 41.8611 175.7568 20 D 4.5234 8.5559 118.5124 57.6200 40.5021 179.3129 21 G 3.6714 8.0955 104.5047 47.9856 0.0000 175.2987 22 Q 4.1368 8.4923 120.4174 58.5503 28.7313 178.4081 23 L 3.9303 8.0413 121.4487 58.1056 41.8990 178.4706 24 D 4.6221 7.7988 117.1003 56.0694 40.8450 177.8332 25 G 3.7456 7.7980 105.0582 44.6580 0.0000 174.0853 26 L 3.9014 6.8849 120.8380 54.2190 42.0945 177.2230 27 A 4.1877 8.0308 123.3336 53.5204 18.8158 177.2393 28 F 5.1260 6.7048 109.5269 54.2846 41.6290 175.0783 29 G 4.1473 9.4698 107.2897 46.1135 0.0000 172.5902 30 A 5.5096 9.4688 124.9220 50.3287 22.8445 175.0246 31 I 5.0159 9.0460 123.4019 59.4328 41.1450 174.2618 32 Q 4.6471 8.8494 127.5356 54.1819 31.1328 174.1686 33 L 5.3433 8.8816 126.2225 52.8487 45.5642 176.4001 34 D 5.0264 8.8923 122.2561 52.2700 40.7742 177.5149 35 G 3.6711 8.7119 107.3128 48.1912 0.0000 174.2142 36 D 4.6377 8.4341 117.8540 54.8855 41.4949 177.2374 37 G 4.0790 8.8304 108.6108 45.2175 0.0000 173.0646 38 N 4.8977 8.6061 117.9605 52.8632 39.3128 174.2721 39 I 4.3301 8.5780 123.9541 61.3224 37.6074 176.4442 40 L 4.3798 9.0261 127.9898 56.2841 43.0207 177.1892 41 Q 4.7350 7.7328 115.2565 54.8436 33.7572 173.9554 42 Y 4.9970 8.4658 122.2094 57.0916 41.5622 173.8620 43 N 5.0441 8.7601 125.0440 51.6041 39.8463 176.2512 44 A 4.0413 9.0335 120.6257 55.2692 18.4382 179.8242 45 A 3.9546 7.9429 118.8655 55.1366 18.3947 179.3477 46 E 3.9978 8.4032 117.5843 59.4622 29.7496 179.1358 47 G 3.9085 8.2251 105.7108 48.0033 0.0000 175.3998 48 D 4.4324 8.1051 120.4797 57.2342 40.8691 178.5724 49 I 3.9881 7.6382 119.6119 63.8593 37.2949 177.6094 50 T 4.5534 8.2519 108.0033 61.1523 69.8616 175.7838 51 G 4.0286 8.4665 109.8700 45.3633 0.0000 174.2371 52 R 3.9698 7.6226 118.5439 56.0098 30.8164 175.7203 53 D 4.6533 8.3539 120.8253 52.6338 42.0296 174.9034 54 P 4.1076 0.0000 0.0000 66.0271 31.2059 178.7658 55 K 4.1071 8.0392 114.4567 59.0768 32.0672 178.9594 56 Q 4.0914 7.9909 117.8992 58.1266 28.9029 177.8715 57 V 3.9615 7.4183 111.7676 60.7844 32.0531 176.1696 58 I 3.9439 7.1135 120.3091 62.6776 37.2831 176.2937 59 G 3.9491 9.2004 114.8407 45.0446 0.0000 173.6841 60 K 4.2757 7.8858 119.3932 55.2856 33.5789 175.2482 61 N 4.9009 8.5767 118.9652 52.7310 39.9093 175.4357 62 F 3.7939 8.8914 130.8358 61.4136 39.2678 177.0506 63 F 3.7943 7.6503 115.2905 59.2701 38.9068 177.2534 64 K 4.0361 7.9125 118.4499 58.4088 32.3507 177.2439 65 D 4.5450 7.6119 116.4229 56.0272 42.0107 178.1461 66 V 3.5661 7.2255 117.0924 65.0162 32.5665 176.2487 67 A 4.3038 7.3062 120.9907 49.7382 18.5397 174.9956 68 P 4.1410 0.0000 0.0000 64.8308 32.0385 179.1767 69 C 4.2799 7.8055 112.9989 60.4168 29.8904 174.1605 70 T 4.1979 7.7833 110.3003 61.9379 68.8296 174.1810 71 D 5.2083 7.7642 123.4285 52.9693 39.7006 174.8765 72 S 4.7605 7.9609 117.1796 56.0882 65.9163 174.7848 73 P 4.2122 0.0000 0.0000 65.6781 31.1883 178.5630 74 E 4.1568 7.8291 115.1175 57.9129 29.1876 176.0548 75 F 4.5029 7.4128 118.8678 58.5382 42.3436 175.4603 76 Y 4.1010 9.1553 120.4842 60.8208 38.8004 179.1467 77 G 3.5845 8.2849 107.9589 47.1343 0.0000 175.8127 78 K 3.9261 7.9411 120.5218 58.9176 32.0633 178.9077 79 F 4.0617 8.4758 121.2385 61.3600 39.3551 177.4359 80 K 3.6715 8.4491 118.6711 59.6277 32.2494 178.6924 81 E 3.8823 8.0627 120.8861 58.9953 29.5445 179.0512 82 G 3.7156 7.8786 105.8726 46.6850 0.0000 175.8755 83 V 3.5913 7.2982 120.9233 65.0834 31.5330 177.7083 84 A 4.0510 7.6910 119.3553 55.1368 18.2875 179.2157 85 S 4.2469 8.1505 110.6012 58.9927 62.4650 174.9794 86 G 4.0144 8.5544 108.6140 45.8497 0.0000 172.8719 87 N 5.0318 7.7407 115.4669 51.5467 42.8359 173.2952 88 L 4.7159 8.3492 122.9190 54.2728 45.9063 173.6758 89 N 4.9785 8.7054 124.2460 53.8182 40.4611 172.3895 90 T 4.7296 8.1139 121.0475 60.6623 71.7155 171.7248 *92 F 4.7743 8.4723 115.2829 56.8620 39.4312 174.3105 93 E 4.8793 8.8693 119.2019 56.6503 30.8120 174.9046 94 Y 4.8299 8.7571 121.4117 57.2131 43.1663 173.1157 95 T 4.9993 7.8832 119.5878 61.8154 71.0616 173.6787 96 F 5.3038 9.1894 126.5235 56.2741 40.4036 176.4078 97 D 4.7812 8.7808 120.5914 53.2349 40.7550 174.1611 98 Y 4.3429 8.2090 121.3193 57.8040 39.3183 175.4466 99 Q 2.9992 8.0343 128.2106 57.0338 25.9860 174.2280 *101 T 4.1069 7.3987 111.6155 62.4389 70.2241 172.9257 102 P 4.6733 0.0000 0.0000 63.6659 32.1652 175.9012 103 T 4.6188 8.9419 120.0797 61.6232 72.4338 173.0412 104 K 4.6080 8.6769 128.1969 56.2336 33.7684 175.9018 105 V 4.5742 8.7868 119.4938 59.5988 36.8757 173.8214 106 K 4.6762 8.7597 123.7809 54.9054 33.9599 175.0978 107 V 5.0100 8.4883 127.4505 61.4378 33.8634 173.7774 108 H 5.4963 9.1233 126.2629 52.9875 34.2106 171.4844 *110 K 4.6691 8.3072 119.7901 55.7360 33.3363 174.7143 111 K 4.2375 8.8989 128.8497 56.3791 32.6406 176.4818 112 A 4.4546 8.2516 129.1335 51.8302 18.7576 177.6683 113 L 3.9634 8.8792 121.3843 57.6813 42.3425 177.1044 114 S 4.7020 7.7260 109.9128 56.5240 65.7572 175.0162 115 G 3.6787 8.4740 110.3597 46.5299 0.0000 175.6884 116 D 4.5499 8.2616 112.5212 52.4567 41.4610 174.2872 117 S 4.9479 7.1638 117.6000 56.5162 68.4884 172.8315 118 Y 4.7436 8.6930 118.6309 56.2798 41.9705 174.6561 119 W 4.8611 9.0957 124.8415 55.8379 30.7119 176.1506 120 V 4.3280 8.7285 123.7194 61.2751 33.5712 174.0938 121 F 5.7751 9.0808 127.3865 56.0075 41.8363 175.1805 122 V 5.3254 9.3701 121.8128 61.3664 35.1337 174.1082 123 K 4.9439 8.7802 125.3636 54.9308 36.3319 175.8519 124 R 4.3456 8.5083 120.1020 56.3296 31.0399 177.2982 125 V 3.9333 7.8221 114.7367 61.6524 32.3989 175.6699 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 2 E 8.44 4.20 0.00 1.84 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 2.16 2.30 0.00 3 H 8.43 4.51 0.00 3.22 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.74 4.35 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 0.81 0.00 0.00 0.88 0.00 0.00 5 A 8.37 4.54 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 6 F 8.52 2.90 0.00 2.52 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 7 G 7.57 3.60 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 0.00 0.00 0.00 8 S 7.34 4.11 0.00 3.77 3.70 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 9 E 8.80 3.97 0.00 1.87 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 0.00 2.28 2.35 0.00 10 D 7.74 4.95 0.00 2.82 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 11 I 7.52 3.53 1.71 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.18 0.79 0.00 0.00 12 E 8.07 4.05 0.00 2.36 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 2.33 2.42 0.00 13 N 8.26 4.52 0.00 3.00 2.91 0.00 0.00 6.93 6.75 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 14 T 7.73 3.89 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 15 L 7.83 4.22 0.00 1.32 1.27 0.76 0.01 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 16 A 7.51 4.45 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 17 K 8.07 3.47 0.00 1.95 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 *19 D 8.03 4.51 0.00 3.00 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 20 D 8.56 4.52 0.00 2.74 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 21 G 8.10 3.67 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 0.00 0.00 0.00 22 Q 8.49 4.14 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 23 L 8.04 3.93 0.00 2.02 1.85 0.99 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.80 4.62 0.00 2.91 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 25 G 7.80 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 0.00 0.00 0.00 26 L 6.88 3.90 0.00 1.24 0.47 0.60 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.03 4.19 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 28 F 6.70 5.13 0.00 3.38 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.47 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 30 A 9.47 5.51 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 31 I 9.05 5.02 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.54 0.83 0.00 0.00 32 Q 8.85 4.65 0.00 1.36 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 33 L 8.88 5.34 0.00 1.74 1.58 0.26 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.89 5.03 0.00 2.97 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 35 G 8.71 3.67 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 0.00 0.00 0.00 36 D 8.43 4.64 0.00 2.92 2.83 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 37 G 8.83 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.61 4.90 0.00 3.07 2.75 0.00 0.00 7.02 7.17 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 39 I 8.58 4.33 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 1.04 0.00 0.00 40 L 9.03 4.38 0.00 1.47 1.66 0.84 0.87 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 41 Q 7.73 4.73 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 42 Y 8.47 5.00 0.00 2.95 2.76 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 43 N 8.76 5.04 0.00 3.03 2.97 0.00 0.00 6.43 7.59 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 44 A 9.03 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.94 3.95 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 46 E 8.40 4.00 0.00 1.97 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 1.47 2.14 0.00 47 G 8.23 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 48 D 8.11 4.43 0.00 2.88 2.78 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 49 I 7.64 3.99 2.14 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 1.64 0.68 1.07 0.00 0.00 50 T 8.25 4.55 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 51 G 8.47 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 52 R 7.62 3.97 0.00 1.90 1.63 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 53 D 8.35 4.65 0.00 2.65 2.64 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 54 P 0.00 4.11 0.00 2.27 2.61 0.00 3.70 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 55 K 8.04 4.11 0.00 1.72 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 56 Q 7.99 4.09 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 57 V 7.42 3.96 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 0.53 0.00 0.00 0.11 0.00 0.00 58 I 7.11 3.94 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 1.00 0.00 0.00 59 G 9.20 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 60 K 7.89 4.28 0.00 1.86 1.65 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.38 7.81 61 N 8.58 4.90 0.00 2.82 2.73 0.00 0.00 6.52 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 62 F 8.89 3.79 0.00 2.72 2.21 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 63 F 7.65 3.79 0.00 2.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.91 4.04 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 65 D 7.61 4.54 0.00 2.72 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 66 V 7.23 3.57 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.80 0.00 0.00 67 A 7.31 4.30 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.14 0.00 1.86 1.90 0.00 3.23 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.51 0.00 69 C 7.81 4.28 0.00 3.25 3.23 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 70 T 7.78 4.20 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 0.48 0.00 0.00 71 D 7.76 5.21 0.00 2.75 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 72 S 7.96 4.76 0.00 4.29 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 73 P 0.00 4.21 0.00 2.22 2.13 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 7.83 4.16 0.00 2.33 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 0.00 2.45 2.33 0.00 75 F 7.41 4.50 0.00 2.63 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 76 Y 9.16 4.10 0.00 2.94 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 77 G 8.28 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 78 K 7.94 3.93 0.00 1.90 1.83 0.00 1.07 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.52 7.81 79 F 8.48 4.06 0.00 3.39 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 80 K 8.45 3.67 0.00 1.82 1.81 0.00 1.07 0.00 0.00 1.36 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.86 1.48 7.81 81 E 8.06 3.88 0.00 2.16 1.90 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 2.24 2.25 0.00 82 G 7.88 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 0.00 0.00 0.00 83 V 7.30 3.59 1.71 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 1.05 0.00 0.00 -0.71 0.00 0.00 84 A 7.69 4.05 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 85 S 8.15 4.25 0.00 3.85 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 86 G 8.55 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.74 5.03 0.00 2.73 2.68 0.00 0.00 6.44 6.74 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 88 L 8.35 4.72 0.00 1.81 1.65 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.71 4.98 0.00 2.78 2.74 0.00 0.00 6.84 7.70 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 90 T 8.11 4.73 4.33 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 1.42 0.00 0.00 *92 F 8.47 4.77 0.00 3.23 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 93 E 8.87 4.88 0.00 1.96 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 0.00 2.28 2.34 0.00 94 Y 8.76 4.83 0.00 3.34 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 95 T 7.88 5.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 96 F 9.19 5.30 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.78 4.78 0.00 2.77 2.76 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 98 Y 8.21 4.34 0.00 2.83 2.89 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 99 Q 8.03 3.00 0.00 1.65 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.27 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 *101 T 7.40 4.11 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 1.23 0.00 0.00 102 P 0.00 4.67 0.00 1.96 2.05 0.00 3.64 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 2.05 2.17 0.00 103 T 8.94 4.62 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 1.24 0.00 0.00 104 K 8.68 4.61 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 105 V 8.79 4.57 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 0.46 0.00 0.00 0.19 0.00 0.00 106 K 8.76 4.68 0.00 1.64 1.30 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.36 7.81 107 V 8.49 5.01 0.80 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 0.43 0.00 0.00 0.90 0.00 0.00 108 H 9.12 5.50 0.00 2.82 2.85 0.00 5.73 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 K 8.31 4.67 0.00 1.89 1.88 0.00 1.85 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.72 7.81 111 K 8.90 4.24 0.00 1.88 1.70 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 0.72 7.81 112 A 8.25 4.45 0.98 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 0.00 0.00 113 L 8.88 3.96 0.00 1.67 1.77 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.73 4.70 0.00 3.84 3.70 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 0.00 115 G 8.47 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 0.00 116 D 8.26 4.55 0.00 2.56 2.55 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 0.00 117 S 7.16 4.95 0.00 3.43 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.69 4.74 0.00 3.19 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 0.00 119 W 9.10 4.86 0.00 2.84 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 0.00 0.00 0.00 120 V 8.73 4.33 1.88 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 1.19 0.00 0.00 0.88 0.00 0.00 121 F 9.08 5.78 0.00 2.84 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 0.00 122 V 9.37 5.33 2.53 0.00 0.00 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 1.29 0.00 0.00 123 K 8.78 4.94 0.00 1.61 1.50 0.00 1.01 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.89 7.81 124 R 8.51 4.35 0.00 1.68 1.87 0.00 3.14 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 125 V 7.82 3.93 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 0.56 0.00 0.00 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.