NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7719 8.1633 120.2779 55.2127 33.9852 174.0086 2 K 4.8948 9.1325 122.6784 53.5575 36.7272 173.4336 3 K 4.7046 10.0002 126.7883 55.5168 34.4137 174.8931 4 I 4.8408 8.9895 128.6758 59.7851 39.5767 174.2840 5 E 5.0915 9.2043 127.5768 54.6451 31.6297 174.9256 6 A 4.9636 8.9026 126.8306 50.0502 22.3146 174.6109 7 I 4.8655 8.5607 124.5313 59.9340 38.9141 175.1475 8 I 4.9296 8.5898 120.2997 58.3790 41.8035 175.1142 9 R 4.1711 8.1939 120.9467 55.5273 30.6782 176.3353 10 P 4.2311 0.0000 0.0000 65.6883 31.4620 178.2845 11 F 4.4947 8.0137 110.4418 58.3688 38.2815 176.3188 12 K 4.1024 7.3159 120.9885 56.4560 31.8288 177.9346 13 L 3.8827 7.7019 122.8515 58.3462 41.9203 178.6883 14 D 4.3183 8.0001 117.9999 57.5192 40.9204 178.2571 15 E 3.9443 8.2069 118.5354 59.6351 29.4586 179.6149 16 V 3.5671 7.7770 118.1097 65.6424 31.4798 178.0046 17 K 3.8922 8.3982 119.8394 59.5363 31.9949 178.8256 18 I 3.6658 7.9383 119.8915 64.4871 36.6855 178.3793 19 A 3.9886 8.1354 121.4725 54.9089 18.1209 179.8039 20 L 3.9851 7.8227 117.7258 57.9794 41.8284 179.7986 21 V 3.7580 8.1161 118.5773 66.0465 31.2554 177.8062 22 N 4.2635 8.4335 115.3389 55.7189 38.5139 175.4704 23 A 4.4190 7.5117 118.1561 51.6265 18.9157 178.0382 24 G 3.8284 8.1312 105.3204 46.4126 0.0000 174.5409 25 I 4.0579 7.5516 121.1164 60.5579 36.4516 175.8898 26 V 4.2654 8.7702 125.8810 58.3536 31.2824 172.9965 27 G 4.7363 7.6796 119.4895 45.1621 0.0000 169.0587 28 M 4.9433 7.9468 121.0807 54.7680 34.2845 174.0195 29 T 4.6917 8.8320 115.9851 61.7727 72.3248 173.2316 30 V 4.9566 8.4939 125.2156 61.2745 34.3741 174.7373 31 S 4.7799 8.6872 121.9525 56.7766 67.4405 172.9740 32 E 4.5297 8.7875 123.0710 56.3127 30.3026 176.2663 33 V 4.6404 8.7581 116.2040 59.9057 36.8593 174.2286 34 R 5.1728 8.3030 119.5608 54.9878 33.3563 175.2916 35 G 4.4632 9.0974 108.3369 45.7831 0.0000 171.5900 36 F 5.3462 8.1321 114.2418 54.9524 41.2921 175.0043 37 G 4.3877 8.5025 108.0907 45.1779 0.0000 175.4686 38 R 4.0007 8.8285 118.9628 59.3241 30.5240 177.2973 39 Q 4.3386 8.2370 115.3978 54.6409 29.1117 175.7287 40 K 3.2160 9.0624 116.9232 57.8910 31.9012 176.3052 41 G 3.9280 8.2797 102.6156 47.8192 0.0000 174.0659 42 Q 4.2220 8.8874 119.5021 58.0196 27.8557 173.8120 43 T 3.3393 8.5182 116.9207 61.5380 67.7706 172.8736 *50 E 3.9656 7.7335 119.9822 55.9789 31.0870 174.5072 51 Y 4.7924 7.4276 116.5385 56.1529 40.8359 174.9428 52 T 4.2222 8.3617 110.8884 61.3399 69.8151 174.5053 53 V 4.1851 8.0582 116.4865 59.5875 34.0272 174.8403 54 E 4.7049 8.2163 123.3017 54.4182 33.8137 174.6536 55 F 5.3868 8.7507 119.8030 56.2930 40.6344 175.4300 56 L 4.9734 9.0390 123.2657 52.6705 45.1066 175.8654 57 Q 4.5610 8.7134 120.8076 56.2645 29.4009 175.7011 58 K 4.8077 9.4004 122.7271 54.6230 37.1453 174.7800 59 L 5.2359 8.7307 120.5146 52.9311 45.1503 175.7229 60 K 4.9062 8.9017 124.0698 54.7540 34.5330 174.5457 61 L 5.1179 9.0034 128.1538 53.2324 44.0600 175.2050 62 E 5.1126 9.5475 123.8730 54.6114 32.5435 175.0992 63 I 4.8032 8.8739 125.0401 59.5140 41.0177 174.3447 64 V 4.7283 8.4985 127.1114 61.5595 32.8716 175.1138 65 V 4.6661 8.6920 119.9327 59.2943 36.7430 174.9643 66 E 4.3681 8.5491 120.0027 56.2952 30.0909 178.1135 67 D 4.3903 8.9911 121.3426 57.9476 40.6627 179.3807 68 A 4.1024 7.9880 118.5235 54.2825 18.7471 178.4273 69 Q 4.2990 8.0459 115.6211 56.3176 29.2454 177.7202 70 V 3.5862 7.4201 120.4911 66.4431 31.3759 177.5799 71 D 4.3361 8.0738 117.6200 57.5592 40.6055 178.6246 72 T 3.8331 7.8864 115.6944 66.7497 68.4623 176.5354 73 V 3.5441 7.8200 119.7495 66.0009 31.6034 177.8952 74 I 3.6479 7.9475 119.7770 64.6384 36.9092 177.9859 75 D 4.3589 8.2765 119.6627 57.4219 40.6521 179.2065 76 K 3.9537 8.2484 118.9390 59.4221 32.0747 179.5631 77 I 3.5995 8.0552 120.3620 64.3151 36.9567 178.2868 78 V 3.5191 8.1944 119.1879 66.3730 31.0566 178.0141 79 A 3.9917 8.0712 118.6948 54.9828 18.2455 179.1722 80 A 4.0320 7.8824 118.5371 54.8528 18.5685 179.0448 81 A 4.1882 7.8691 117.7267 52.4858 19.6401 178.1042 82 R 4.3150 6.9891 113.6674 56.4360 30.2770 176.7338 83 T 4.5359 9.5470 106.6576 60.9168 70.9818 174.9988 84 G 3.9704 8.9009 110.2094 45.2053 0.0000 172.7858 85 E 4.7467 7.8934 119.4414 53.5832 32.0998 175.5951 86 I 3.6746 8.2083 115.4390 63.1298 36.5570 176.0204 87 G 3.9965 8.9468 110.5969 45.7254 0.0000 174.9276 88 D 4.3362 7.3936 120.3191 55.7278 40.8738 175.8341 89 G 4.5041 5.8936 100.6489 44.0859 0.0000 172.6045 90 K 4.4759 8.0346 119.6298 54.6736 35.8388 174.4730 91 I 4.6395 7.8571 126.1743 59.3373 39.9816 174.8003 92 F 5.0154 9.1157 124.9150 55.6614 42.2271 174.0614 93 V 4.9165 8.6455 123.5515 61.2800 33.2188 174.7796 94 S 4.9599 9.1955 121.8888 55.6349 66.8842 171.5430 95 P 4.8168 0.0000 0.0000 62.9245 32.1476 175.5481 96 V 4.3298 8.3620 122.3573 61.4260 32.7235 175.4292 97 D 4.5144 8.9759 128.1512 57.0875 41.2499 176.6262 98 Q 4.7254 7.5138 116.3328 55.2097 31.9967 172.7957 99 T 4.7807 8.8648 121.2039 61.8243 72.0600 173.0930 100 I 4.9607 8.1569 125.0568 59.5560 40.9538 174.6473 101 R 4.1986 8.8342 128.2679 55.5653 30.6141 177.2350 102 I 3.6889 8.5929 127.8200 64.5195 37.6483 178.1275 103 R 3.8896 8.2415 119.2358 59.0903 29.8070 176.9645 104 T 4.3057 7.3238 102.2290 60.8030 70.2233 175.5824 105 G 3.9540 8.3314 109.5425 45.0864 0.0000 173.6397 106 E 4.0682 7.8604 119.7233 56.3954 30.3938 176.3371 107 K 5.0879 8.3536 120.8937 55.2534 36.1990 177.7858 108 N 3.9244 8.5831 118.6129 53.9241 38.4323 176.8945 109 A 4.0175 8.8845 125.3381 56.8875 17.7846 179.2234 110 D 4.3983 7.6929 114.3522 56.4489 40.9297 177.7086 111 A 4.5299 8.0705 119.5335 52.0974 19.4510 177.1584 112 I 4.1989 7.4414 119.9820 62.9179 39.4879 176.5139 *113 S 4.3334 7.9037 120.2605 58.2643 62.0347 176.5079 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 8.16 4.77 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 9.13 4.89 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 3 K 10.00 4.70 0.00 1.79 1.68 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.43 7.81 4 I 8.99 4.84 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 1.22 0.67 0.89 0.00 0.00 5 E 9.20 5.09 0.00 2.23 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 0.00 2.30 2.30 0.00 6 A 8.90 4.96 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 7 I 8.56 4.87 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.92 0.00 0.00 8 I 8.59 4.93 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.83 0.00 0.00 9 R 8.19 4.17 0.00 1.31 1.65 0.00 2.95 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 10 P 0.00 4.23 0.00 2.25 2.14 0.00 3.65 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 2.16 2.10 0.00 11 F 8.01 4.49 0.00 3.11 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 12 K 7.32 4.10 0.00 1.58 1.64 0.00 1.71 0.00 0.00 1.54 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.30 1.31 7.81 13 L 7.70 3.88 0.00 1.84 1.66 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.00 4.32 0.00 2.75 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 15 E 8.21 3.94 0.00 1.99 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 2.42 2.41 0.00 16 V 7.78 3.57 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 0.95 0.00 0.00 0.89 0.00 0.00 17 K 8.40 3.89 0.00 1.83 2.01 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 I 7.94 3.67 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.91 0.00 0.00 19 A 8.14 3.99 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 20 L 7.82 3.99 0.00 1.91 1.71 0.94 0.82 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 21 V 8.12 3.76 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 1.03 0.00 0.00 0.95 0.00 0.00 22 N 8.43 4.26 0.00 2.80 2.87 0.00 0.00 6.94 7.55 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 23 A 7.51 4.42 1.31 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 24 G 8.13 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 25 I 7.55 4.06 1.95 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 1.18 0.85 0.90 0.00 0.00 26 V 8.77 4.27 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 0.82 0.00 0.00 0.93 0.00 0.00 27 G 7.68 4.74 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 0.00 0.00 0.00 28 M 7.95 4.94 0.00 1.98 1.99 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 2.47 2.55 0.00 29 T 8.83 4.69 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 30 V 8.49 4.96 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 0.81 0.00 0.00 0.92 0.00 0.00 31 S 8.69 4.78 0.00 3.78 3.66 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 0.00 0.00 0.00 0.00 32 E 8.79 4.53 0.00 1.85 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 0.00 2.31 2.34 0.00 33 V 8.76 4.64 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 0.73 0.00 0.00 0.97 0.00 0.00 34 R 8.30 5.17 0.00 1.49 1.88 0.00 3.17 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 1.53 1.55 0.00 35 G 9.10 4.46 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 0.00 0.00 0.00 36 F 8.13 5.35 0.00 2.95 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 37 G 8.50 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 0.00 0.00 0.00 0.00 38 R 8.83 4.00 0.00 1.85 2.04 0.00 3.22 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 39 Q 8.24 4.34 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.28 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 40 K 9.06 3.22 0.00 1.63 1.51 0.00 1.20 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.25 1.24 7.81 41 G 8.28 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 42 Q 8.89 4.22 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.36 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 43 T 8.52 3.34 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 1.16 0.00 0.00 *50 E 7.73 3.97 0.00 1.40 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 1.68 1.88 0.00 51 Y 7.43 4.79 0.00 3.00 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 52 T 8.36 4.22 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 1.22 0.00 0.00 53 V 8.06 4.19 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 0.45 0.00 0.00 0.74 0.00 0.00 54 E 8.22 4.70 0.00 1.82 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 2.24 2.23 0.00 55 F 8.75 5.39 0.00 3.04 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 56 L 9.04 4.97 0.00 1.63 1.61 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.71 4.56 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 58 K 9.40 4.81 0.00 1.61 1.80 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.56 7.81 59 L 8.73 5.24 0.00 1.52 1.51 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.90 4.91 0.00 1.81 1.65 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 61 L 9.00 5.12 0.00 1.61 1.54 0.89 0.62 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 62 E 9.55 5.11 0.00 1.85 1.83 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 2.23 2.26 0.00 63 I 8.87 4.80 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.87 0.90 0.00 0.00 64 V 8.50 4.73 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 0.85 0.00 0.00 0.93 0.00 0.00 65 V 8.69 4.67 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 0.68 0.00 0.00 0.93 0.00 0.00 66 E 8.55 4.37 0.00 2.07 1.87 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 2.33 2.28 0.00 67 D 8.99 4.39 0.00 2.76 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 68 A 7.99 4.10 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 69 Q 8.05 4.30 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 70 V 7.42 3.59 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 1.12 0.00 0.00 0.93 0.00 0.00 71 D 8.07 4.34 0.00 2.72 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 72 T 7.89 3.83 4.44 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 1.20 0.00 0.00 73 V 7.82 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 1.09 0.00 0.00 0.98 0.00 0.00 74 I 7.95 3.65 1.85 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 1.49 0.46 0.88 0.00 0.00 75 D 8.28 4.36 0.00 2.66 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 76 K 8.25 3.95 0.00 1.93 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.76 7.81 77 I 8.06 3.60 1.83 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 1.37 0.98 0.85 0.00 0.00 78 V 8.19 3.52 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 0.98 0.00 0.00 0.88 0.00 0.00 79 A 8.07 3.99 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 80 A 7.88 4.03 1.35 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 81 A 7.87 4.19 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 82 R 6.99 4.32 0.00 1.87 2.09 0.00 3.02 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 83 T 9.55 4.54 4.32 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 1.37 0.00 0.00 84 G 8.90 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 85 E 7.89 4.75 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 86 I 8.21 3.67 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.91 0.00 0.00 87 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.39 4.34 0.00 2.80 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 89 G 5.89 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.03 4.48 0.00 1.68 1.32 0.00 1.86 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.50 1.19 7.81 91 I 7.86 4.64 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 0.86 0.00 0.00 92 F 9.12 5.02 0.00 2.90 2.84 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 93 V 8.65 4.92 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 0.84 0.00 0.00 0.94 0.00 0.00 94 S 9.20 4.96 0.00 3.85 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 95 P 0.00 4.82 0.00 2.10 2.09 0.00 3.71 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 1.98 1.96 0.00 96 V 8.36 4.33 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 0.80 0.00 0.00 0.93 0.00 0.00 97 D 8.98 4.51 0.00 2.71 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 98 Q 7.51 4.73 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 99 T 8.86 4.78 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 0.00 100 I 8.16 4.96 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 1.23 0.47 0.91 0.00 0.00 101 R 8.83 4.20 0.00 1.89 1.80 0.00 3.28 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 102 I 8.59 3.69 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 1.30 0.68 0.91 0.00 0.00 103 R 8.24 3.89 0.00 1.76 1.97 0.00 3.20 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 T 7.32 4.31 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 0.00 105 G 8.33 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 0.00 106 E 7.86 4.07 0.00 2.04 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 0.00 2.33 2.29 0.00 107 K 8.35 5.09 0.00 1.78 1.68 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.59 7.81 108 N 8.58 3.92 0.00 2.86 2.27 0.00 0.00 7.16 8.48 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 0.00 109 A 8.88 4.02 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 0.00 110 D 7.69 4.40 0.00 2.94 2.75 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 0.00 111 A 8.07 4.53 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 0.00 112 I 7.44 4.20 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 1.27 0.69 0.91 0.00 0.00 *113 S 7.90 4.33 0.00 3.66 3.63 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 * Residues marked with a * may have inaccurate shift predictions.