NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1279 7.8827 120.7891 61.0963 40.2236 177.4349 4 Q 4.1098 7.8866 122.1802 58.1514 28.8513 176.6006 5 K 4.2780 8.1979 119.1513 58.9434 32.5091 179.0318 6 V 3.5857 7.6059 118.5361 66.0974 31.2482 177.9200 7 Q 3.9957 8.0913 117.7989 59.0232 28.5234 178.4987 8 D 4.3855 8.4419 120.3400 57.6101 40.9699 178.6738 9 D 4.4278 8.4592 119.5695 57.3276 40.7103 179.1322 10 T 3.8659 8.0157 116.6192 66.4397 68.5628 176.6733 11 K 3.8953 8.2975 121.8732 59.8404 32.1602 178.8602 12 T 3.8089 7.9057 115.8047 66.6693 68.4492 176.3401 13 L 3.9595 7.8061 121.9761 58.2299 41.9659 179.0856 14 I 3.6824 7.9302 119.7131 64.3467 36.9779 178.4814 15 K 3.9429 8.0185 119.2677 59.7176 31.7644 179.4053 16 T 3.8498 7.8602 115.9143 66.9249 68.4203 176.7674 17 I 3.7228 7.7312 121.5608 64.1901 37.0671 178.7283 18 V 3.5897 8.0444 119.4585 66.1818 31.3287 178.3466 19 T 3.8727 8.2114 115.8621 66.5739 68.0999 176.7017 20 R 3.8899 8.0624 119.8781 59.5854 30.1897 178.3508 21 I 3.8703 7.8304 119.6458 64.1107 36.8211 178.0610 22 N 4.2832 7.9259 116.5952 56.6409 38.5757 176.8244 23 D 4.5161 7.9897 118.7248 58.2290 40.9227 178.1012 24 I 3.6319 7.3660 120.2310 63.6759 36.8236 176.1508 *39 L 4.1047 7.3944 119.9449 54.6842 43.5740 178.1855 40 D 4.1694 7.9672 121.2068 56.6938 40.6484 177.4227 41 F 5.0135 7.3127 114.2099 56.8640 39.7065 174.8636 42 I 3.7166 7.8402 121.8613 60.3476 37.9487 173.9144 43 P 4.3758 0.0000 0.0000 62.6707 31.6530 176.4852 44 G 4.2068 8.3369 109.7954 44.2403 0.0000 173.6556 45 L 4.0470 8.8590 120.1756 55.3383 39.9985 177.1751 46 H 4.0522 8.6620 122.0552 55.1842 27.7022 173.6187 47 P 4.2654 0.0000 0.0000 63.9146 31.5987 175.2847 48 I 4.4158 7.9050 130.5876 60.8435 37.5126 176.0831 49 L 5.0380 8.6534 121.2262 56.9655 42.2591 177.7202 50 T 4.3126 7.4278 109.5676 60.5459 71.4714 175.4739 51 L 4.0016 8.2301 121.2389 57.8960 41.0048 180.2137 52 S 4.1113 7.9107 114.9320 61.4317 62.8950 176.6211 53 K 4.0782 7.8162 121.2975 59.4382 31.7169 179.3429 54 M 4.0035 7.9825 119.1008 58.4057 31.9368 178.2802 55 D 4.2975 8.0141 118.0351 57.5338 41.1895 178.1031 56 Q 4.0065 8.4241 120.2959 59.2845 28.4788 178.4762 57 T 3.8151 8.0063 117.0102 66.5085 68.4860 176.7793 58 L 4.2522 8.1813 120.7744 57.8472 41.5876 179.4788 59 A 3.9954 8.1901 120.7674 55.1297 18.2743 179.9038 60 V 3.5376 7.4242 116.6273 66.1996 31.5417 177.9735 61 Y 4.2504 8.0025 116.6436 61.1222 37.6986 178.2809 62 Q 4.1053 8.4726 119.2089 59.2212 28.5911 179.0509 63 Q 4.0440 7.7732 117.6381 58.8129 28.9236 178.7227 64 I 3.8857 7.5703 120.4046 64.5565 37.1616 178.5742 65 L 4.0296 8.4522 119.9685 57.9893 41.1552 179.6429 66 T 4.0722 7.8276 115.0303 65.5690 68.4738 175.8769 67 S 4.6058 7.9384 114.6480 58.4042 64.7613 174.0853 68 M 4.8483 7.5525 119.3225 53.4085 30.9010 173.4982 69 P 4.3689 0.0000 0.0000 63.8931 32.7629 176.5460 70 S 4.5092 7.9260 113.6416 56.7496 66.0172 176.2855 71 R 3.8605 8.2830 120.7561 59.7202 29.6838 177.8265 72 N 4.7175 7.9941 116.8811 55.0803 38.7155 177.6059 73 V 3.5443 7.7042 119.5898 66.0192 31.7659 178.1908 74 I 3.5656 7.7755 119.6708 64.1843 36.8726 178.2220 75 Q 3.9239 7.7578 119.6372 59.3531 28.8965 178.3655 76 I 3.7779 8.2917 121.2355 64.4665 37.0108 178.3339 77 S 4.0682 8.8030 114.7798 61.3750 62.1476 175.8358 78 N 4.3150 8.1052 119.4339 56.7640 38.6807 176.6333 79 D 4.3846 7.8916 119.8557 57.3937 40.8172 178.7541 80 L 3.9801 8.2517 119.8042 57.7274 41.5478 179.2306 81 E 3.9308 7.9154 119.5336 59.3311 29.7175 178.6558 82 N 4.3984 7.9931 116.1691 55.9477 38.5239 177.2554 83 L 4.0002 8.0826 122.1705 58.0503 42.2216 179.0953 84 R 3.9585 8.2271 118.2287 59.2550 30.0087 178.5703 85 D 4.3547 8.0486 118.6087 57.6706 40.7973 179.0558 86 L 4.2300 7.8117 118.6508 57.7863 41.5612 179.7207 87 L 4.0404 7.9055 119.1532 57.9797 41.5827 179.0887 88 H 4.2525 8.3395 116.2656 58.5783 28.6844 177.9988 89 V 3.7019 8.4478 120.6299 65.5156 31.2991 178.0279 90 L 3.9148 7.8174 120.2624 58.1492 41.9725 178.5566 91 A 4.0114 7.9118 120.6861 55.1749 18.1430 179.1425 92 F 4.2242 8.3886 119.2034 61.7608 39.3231 177.6550 93 S 4.0473 8.1170 112.0304 60.5128 62.8391 175.3499 94 K 4.2704 7.7990 120.3065 55.2630 32.1998 176.3296 95 S 3.6845 8.0339 114.8841 59.6428 60.9959 169.2901 96 C 5.1293 8.3738 112.8261 53.6281 44.5229 172.2703 97 H 4.9613 8.6404 114.8780 53.5978 29.9016 173.6214 98 L 4.4358 8.1198 122.7703 51.3378 42.3209 174.6945 99 P 4.3746 0.0000 0.0000 62.0720 31.9351 175.8176 100 E 4.0408 8.5228 120.8991 55.7449 30.0419 176.6120 101 A 4.1802 8.3996 129.2226 52.1677 19.2059 177.1472 102 S 4.4462 8.4629 117.1465 58.0805 63.8944 174.1020 103 G 4.2090 8.2077 111.1462 43.5373 0.0000 172.9904 104 L 4.2716 8.6402 122.0373 53.9081 42.3471 177.4002 105 E 4.1782 8.7315 124.0069 58.2984 30.1123 176.5237 106 T 4.7003 7.3842 106.6666 60.1784 71.8202 173.4182 107 L 4.4358 8.3912 122.0690 55.1271 41.8172 178.4373 108 D 4.4637 7.9302 120.5686 57.0183 41.0563 178.7027 109 S 4.2242 7.9635 112.9740 60.9325 63.5312 175.6620 110 L 4.2968 7.8094 119.5618 55.5117 41.2732 178.7462 111 G 3.8650 7.7700 106.3613 48.0913 0.0000 175.5977 112 G 3.8383 8.0814 107.3029 47.6167 0.0000 175.4924 113 V 3.8607 7.7693 112.4108 62.8516 31.9146 177.4462 114 L 4.4599 7.7966 117.3999 53.9230 42.2893 175.7850 115 E 4.5138 7.6329 118.8288 55.1761 30.8018 175.5051 116 A 4.6355 8.0260 123.2639 51.0253 22.0832 176.1563 117 S 4.2371 8.6900 117.2382 59.2315 63.8821 174.7771 118 G 3.7530 9.5449 111.6006 45.6805 0.0000 172.5371 119 Y 4.8963 7.3357 115.5822 55.1771 42.1583 175.6840 120 S 4.5440 8.6538 118.9061 58.1172 65.6413 175.5944 121 T 4.2791 8.3068 114.8029 64.4730 68.5201 176.5279 122 E 4.0182 8.1828 121.4364 59.2375 29.5450 179.4496 123 V 3.6728 7.6952 118.9834 64.6614 31.5229 178.7437 124 V 3.4599 7.9252 118.7538 65.5160 31.4055 177.8958 125 A 4.0704 8.4045 120.9694 55.3736 18.3454 179.7026 126 L 3.9527 7.9647 117.2061 57.5752 41.6118 179.9350 127 S 4.1030 7.9577 115.6315 61.3225 62.7120 176.8097 128 R 3.9198 8.3393 121.2223 59.1826 29.8055 178.6298 129 L 2.9197 7.6965 120.0791 58.0722 41.8148 178.8958 130 Q 3.9552 7.9875 119.3733 58.8091 28.9064 178.4507 131 G 3.5943 7.7867 106.4293 47.9626 0.0000 175.6566 132 S 4.1977 8.3745 118.8042 61.2859 62.9290 176.9655 133 L 3.9808 8.0985 121.5944 58.0545 41.0186 179.7224 134 Q 4.1502 8.3978 117.7719 58.4104 28.6001 178.3639 135 D 4.4170 8.0729 119.6409 57.7476 41.2897 178.1026 136 M 3.8391 8.1648 119.3696 57.9749 31.6650 178.1496 137 L 3.9188 7.6638 120.0222 58.2043 42.3678 178.8072 138 W 4.5710 7.7276 115.3371 58.9390 28.5160 178.4908 139 Q 3.3810 6.9918 118.5714 58.3831 27.9908 178.3840 140 L 4.0069 8.0369 120.2079 57.5103 41.3825 178.6832 141 D 4.6324 7.6505 117.3205 55.7131 40.8834 177.3007 142 L 4.5053 7.8108 119.0352 52.9200 43.2514 176.9007 143 S 3.6158 7.6975 113.2080 58.4850 60.3355 169.8151 144 P 4.3364 0.0000 0.0000 62.6801 32.6749 178.5053 145 G 3.8580 8.4020 107.0389 46.4650 0.0000 174.1210 146 C 4.6602 8.5723 119.5742 56.6063 44.4801 174.4824 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 3 I 7.88 4.13 1.88 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 1.29 0.91 0.00 0.00 4 Q 7.89 4.11 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 5 K 8.20 4.28 0.00 1.82 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.44 7.81 6 V 7.61 3.59 2.31 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 1.17 0.00 0.00 0.96 0.00 0.00 7 Q 8.09 4.00 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 8 D 8.44 4.39 0.00 2.82 2.72 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 9 D 8.46 4.43 0.00 2.92 2.72 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 10 T 8.02 3.87 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 1.20 0.00 0.00 11 K 8.30 3.90 0.00 1.89 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 12 T 7.91 3.81 4.38 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 1.21 0.00 0.00 13 L 7.81 3.96 0.00 1.86 1.81 0.91 1.10 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 14 I 7.93 3.68 2.01 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 1.51 0.57 0.93 0.00 0.00 15 K 8.02 3.94 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.80 7.81 16 T 7.86 3.85 4.47 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 1.20 0.00 0.00 17 I 7.73 3.72 1.84 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 1.39 0.84 0.86 0.00 0.00 18 V 8.04 3.59 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 1.03 0.00 0.00 0.94 0.00 0.00 19 T 8.21 3.87 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 20 R 8.06 3.89 0.00 1.85 2.16 0.00 3.24 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 21 I 7.83 3.87 1.97 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 1.47 1.15 0.86 0.00 0.00 22 N 7.93 4.28 0.00 2.87 2.86 0.00 0.00 7.05 8.16 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 23 D 7.99 4.52 0.00 2.78 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 24 I 7.37 3.63 2.07 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 1.51 0.71 0.91 0.00 0.00 *39 L 7.39 4.10 0.00 1.45 1.51 0.37 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.97 4.17 0.00 1.58 1.54 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 41 F 7.31 5.01 0.00 3.06 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 42 I 7.84 3.72 1.81 0.00 0.00 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 1.48 0.74 0.89 0.00 0.00 43 P 0.00 4.38 0.00 2.26 2.09 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 44 G 8.34 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 0.00 0.00 0.00 0.00 45 L 8.86 4.05 0.00 1.33 1.55 0.38 1.43 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 46 H 8.66 4.05 0.00 3.30 3.48 0.00 5.73 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 47 P 0.00 4.27 0.00 2.21 2.21 0.00 3.45 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 48 I 7.90 4.42 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 0.90 0.00 0.00 49 L 8.65 5.04 0.00 1.62 1.78 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.43 4.31 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 1.19 0.00 0.00 51 L 8.23 4.00 0.00 1.70 1.71 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.91 4.11 0.00 3.83 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 53 K 7.82 4.08 0.00 1.74 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.47 7.81 54 M 7.98 4.00 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.47 0.00 55 D 8.01 4.30 0.00 2.87 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 56 Q 8.42 4.01 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 57 T 8.01 3.82 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 1.21 0.00 0.00 58 L 8.18 4.25 0.00 1.87 1.78 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.19 4.00 1.39 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 60 V 7.42 3.54 1.99 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 0.83 0.00 0.00 0.92 0.00 0.00 61 Y 8.00 4.25 0.00 3.25 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 62 Q 8.47 4.11 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 63 Q 7.77 4.04 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 64 I 7.57 3.89 2.15 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 1.54 0.75 0.98 0.00 0.00 65 L 8.45 4.03 0.00 1.67 1.74 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.83 4.07 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 67 S 7.94 4.61 0.00 4.02 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 68 M 7.55 4.85 0.00 2.05 2.08 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 2.50 2.71 0.00 69 P 0.00 4.37 0.00 2.20 2.10 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 70 S 7.93 4.51 0.00 4.01 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 71 R 8.28 3.86 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 72 N 7.99 4.72 0.00 2.84 2.83 0.00 0.00 7.25 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 73 V 7.70 3.54 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 1.13 0.00 0.00 0.96 0.00 0.00 74 I 7.78 3.57 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 1.41 1.01 0.91 0.00 0.00 75 Q 7.76 3.92 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 76 I 8.29 3.78 2.01 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 1.38 0.68 0.87 0.00 0.00 77 S 8.80 4.07 0.00 4.05 3.86 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 78 N 8.11 4.32 0.00 2.96 2.90 0.00 0.00 7.19 7.83 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 79 D 7.89 4.38 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.98 0.00 1.98 1.74 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.92 3.93 0.00 2.02 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 2.29 2.38 0.00 82 N 7.99 4.40 0.00 2.94 2.84 0.00 0.00 6.65 7.38 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 83 L 8.08 4.00 0.00 1.84 1.81 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.23 3.96 0.00 2.05 1.98 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 85 D 8.05 4.35 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 86 L 7.81 4.23 0.00 1.90 1.73 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.91 4.04 0.00 2.10 1.73 0.91 1.14 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 88 H 8.34 4.25 0.00 3.38 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.45 3.70 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 1.06 0.00 0.00 0.93 0.00 0.00 90 L 7.82 3.91 0.00 1.94 1.76 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.91 4.01 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 92 F 8.39 4.22 0.00 3.24 3.29 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 93 S 8.12 4.05 0.00 4.07 4.04 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 0.00 0.00 0.00 94 K 7.80 4.27 0.00 1.91 1.86 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.62 7.81 95 S 8.03 3.68 0.00 3.90 3.85 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 0.00 0.00 0.00 96 C 8.37 5.13 0.00 3.03 3.04 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 0.00 0.00 0.00 97 H 8.64 4.96 0.00 3.29 3.30 0.00 5.50 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.12 4.44 0.00 1.49 1.52 0.64 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.37 0.00 2.01 2.00 0.00 3.57 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 100 E 8.52 4.04 0.00 1.94 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 2.29 2.31 0.00 101 A 8.40 4.18 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 0.00 102 S 8.46 4.45 0.00 3.86 3.79 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 0.00 103 G 8.21 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 0.00 0.00 0.00 0.00 104 L 8.64 4.27 0.00 1.63 1.78 0.93 1.01 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 0.00 105 E 8.73 4.18 0.00 1.92 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 2.28 2.29 0.00 106 T 7.38 4.70 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 0.00 107 L 8.39 4.44 0.00 1.77 1.72 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.93 4.46 0.00 2.70 2.72 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 0.00 109 S 7.96 4.22 0.00 3.96 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 0.00 110 L 7.81 4.30 0.00 1.91 1.74 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.77 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 0.00 112 G 8.08 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 0.00 0.00 0.00 113 V 7.77 3.86 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 1.01 0.00 0.00 114 L 7.80 4.46 0.00 1.98 1.71 0.97 0.92 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 0.00 115 E 7.63 4.51 0.00 1.99 1.89 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 2.54 2.40 0.00 116 A 8.03 4.64 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 0.00 117 S 8.69 4.24 0.00 3.99 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 0.00 118 G 9.54 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 0.00 119 Y 7.34 4.90 0.00 2.96 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 0.00 120 S 8.65 4.54 0.00 4.31 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 0.00 121 T 8.31 4.28 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 1.34 0.00 0.00 122 E 8.18 4.02 0.00 2.10 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 2.41 2.44 0.00 123 V 7.70 3.67 2.14 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 0.99 0.00 0.00 0.94 0.00 0.00 124 V 7.93 3.46 2.19 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 1.10 0.00 0.00 0.96 0.00 0.00 125 A 8.40 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.95 0.00 1.77 1.68 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.96 4.10 0.00 3.97 3.79 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 0.00 128 R 8.34 3.92 0.00 2.12 2.19 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 129 L 7.70 2.92 0.00 0.85 1.54 0.30 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.99 3.96 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 131 G 7.79 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.37 4.20 0.00 4.03 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 0.00 133 L 8.10 3.98 0.00 1.80 1.69 0.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.40 4.15 0.00 2.28 2.26 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 2.42 2.47 0.00 135 D 8.07 4.42 0.00 3.13 2.65 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 0.00 0.00 0.00 0.00 136 M 8.16 3.84 0.00 2.02 2.17 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 2.79 2.47 0.00 137 L 7.66 3.92 0.00 1.98 1.92 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 W 7.73 4.57 0.00 3.65 3.31 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 0.00 139 Q 6.99 3.38 0.00 1.59 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 140 L 8.04 4.01 0.00 1.64 1.69 0.92 1.27 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 0.00 141 D 7.65 4.63 0.00 2.89 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 0.00 142 L 7.81 4.51 0.00 1.73 1.69 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 143 S 7.70 3.62 0.00 3.97 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 0.00 144 P 0.00 4.34 0.00 2.10 1.97 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 145 G 8.40 3.86 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 0.00 0.00 0.00 146 C 8.57 4.66 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.