NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4351 8.1633 120.3508 55.1701 34.6182 177.3189 8 D 4.2067 8.1416 118.7729 57.5995 40.8585 176.8446 9 D 4.4449 8.2538 119.0882 57.0670 41.3027 178.5807 10 V 2.9652 7.5929 118.5916 65.6188 31.5442 178.0540 11 V 3.4932 7.7838 117.9812 65.9731 31.3031 178.0752 12 K 3.9855 8.1006 118.1874 59.5247 31.8898 179.1109 13 F 4.2090 8.2518 120.8549 61.2899 39.1996 177.3246 14 I 3.4342 7.8080 119.4910 64.5227 36.6442 178.0299 15 H 4.1122 7.9542 116.0878 58.8545 28.8119 177.1164 16 E 4.0053 8.2599 121.2465 59.2726 29.6069 178.8832 17 V 3.4496 7.8432 118.7886 65.9690 31.4230 178.2388 18 G 3.6214 7.7568 105.1496 47.3329 0.0000 175.7339 19 S 4.2225 7.9452 116.3814 61.0526 62.9525 176.2834 20 L 4.1094 7.8044 122.0317 56.8688 41.0921 178.9116 21 K 4.1924 7.9135 117.6473 57.8945 32.1018 177.4296 22 L 4.5069 7.6303 117.1757 54.4692 42.5420 176.0928 23 T 4.4817 7.3912 117.2947 60.7509 69.3822 172.2328 24 P 4.5827 0.0000 0.0000 62.3858 32.1788 176.6709 25 R 4.2119 9.0357 120.8309 56.1124 29.7202 177.7313 26 S 4.3614 8.7088 119.8666 60.6118 63.1405 176.1671 27 G 3.6992 8.0255 108.6571 47.8535 0.0000 175.1799 28 W 4.4129 7.4374 120.0460 59.0982 28.9778 178.6045 29 L 4.2170 7.9918 119.8541 57.6083 40.8843 179.3571 30 K 4.1433 8.0114 115.8461 58.9309 32.8827 177.5793 31 L 4.1422 7.7163 118.6883 55.6678 41.7430 177.7394 32 G 3.8985 8.1937 107.5300 44.9264 0.0000 173.6181 33 I 3.8578 7.2963 120.7685 60.8370 37.1360 175.9027 34 R 4.2213 8.4898 125.2832 57.6879 30.8653 177.0593 35 L 4.7369 7.3341 116.3644 51.9957 41.6828 173.7008 36 P 4.6590 0.0000 0.0000 61.7110 33.0605 176.9847 37 E 4.4189 9.2512 119.0923 57.3521 30.4690 177.1282 38 S 4.9354 9.2661 117.0085 57.5852 65.0413 175.3264 39 V 3.6546 9.0908 119.8986 66.0846 31.0548 177.8217 40 A 4.0172 8.0486 120.4528 55.2998 18.2412 179.3729 41 E 3.9559 8.0617 116.5057 59.8803 29.5147 178.8953 42 H 4.3655 8.4709 118.1990 59.7968 29.8192 177.4228 43 S 4.0386 8.3380 116.6730 61.2626 62.5484 175.8428 44 F 4.0761 8.5998 123.7830 62.0541 38.9449 177.4427 45 R 3.4702 8.1446 117.0407 58.8300 29.8534 178.3577 46 A 3.8831 8.1673 120.8213 54.7692 18.2660 179.5205 47 A 3.8778 8.0606 119.5588 55.4061 18.5015 179.9451 48 I 3.5208 7.1644 118.3550 64.4847 37.0117 178.8059 49 I 3.6315 7.9514 120.7725 64.1771 36.8170 178.3033 50 A 4.0005 8.3596 122.1064 54.9651 18.2166 179.1519 51 F 4.0759 8.2866 119.1666 61.7682 39.3426 177.3663 52 I 3.5941 7.8754 119.0411 64.3363 36.6750 178.4429 53 L 3.8898 7.9649 118.6832 57.6221 41.8036 179.0697 54 A 2.8327 7.5602 120.6211 54.8138 18.1067 179.4002 55 L 3.6692 7.2915 117.1288 58.0976 41.5053 180.1622 56 K 4.0678 8.0149 116.6422 58.5232 31.9203 178.4729 57 S 4.7368 7.5584 114.3835 57.9312 62.9904 174.5728 58 G 3.8455 7.5720 109.0347 46.0773 0.0000 174.0814 59 E 4.3352 7.6958 117.9953 54.7857 30.7321 177.1995 60 S 4.2892 8.2056 116.2844 58.1008 65.1191 175.3832 61 V 3.4486 8.2895 121.9843 66.4257 31.2402 177.9943 62 E 4.0147 8.1827 117.5547 59.5991 29.3750 179.4666 63 K 4.0722 8.2193 118.1672 59.2526 32.0910 179.3025 64 A 3.8079 8.2048 121.4642 55.2859 18.1691 179.5205 65 C 4.3370 8.4725 115.4333 62.7902 28.0995 176.1802 66 K 4.0754 8.0519 120.7085 59.3362 31.7809 178.7141 67 A 3.9698 8.2384 120.8646 55.0441 18.3462 179.1136 68 A 4.0955 8.1443 119.3235 56.0036 18.4200 180.1096 69 T 3.9210 8.0301 113.6015 66.7229 68.3334 176.7534 70 A 2.7803 7.5176 121.5957 54.8528 18.3727 179.2715 71 A 4.0845 7.8687 119.1363 55.1390 18.1876 179.8543 72 L 3.9515 7.7069 116.8165 58.0338 41.9230 179.3995 73 F 4.2577 8.6476 116.7509 59.6332 38.7297 177.3035 74 H 4.2487 7.9214 118.5838 58.7044 29.9826 175.5018 75 D 4.7556 8.0101 116.4046 53.9728 41.5012 177.7690 76 L 4.0065 7.7997 122.4480 58.1863 41.5270 178.9455 77 H 4.3943 8.3719 114.4446 58.6927 28.0191 176.6535 78 E 4.1738 7.6748 118.9544 57.7112 29.2357 178.2877 79 A 4.1612 7.9382 121.5592 53.9246 18.5895 177.9957 80 R 4.0623 8.2274 115.1657 57.4218 31.4840 179.1018 *101 E 4.2369 8.0492 120.7679 55.3561 31.0087 176.2601 102 E 3.9124 8.8724 128.5877 58.4478 29.0119 175.9054 103 Q 4.1451 8.1664 118.7464 58.7348 29.4742 177.0442 104 L 4.1009 7.7043 115.7242 53.9462 41.9571 178.0135 105 S 3.9863 7.5146 115.9182 61.1928 62.5794 175.9654 106 W 4.3207 7.9170 115.7504 57.9628 28.2227 175.5597 107 M 4.1838 6.6295 119.9243 53.7002 32.5589 176.0520 108 E 3.9506 8.5440 123.7609 58.7173 30.1403 176.7959 109 S 4.1013 7.4684 113.9703 58.4199 64.7355 173.3495 110 K 3.5645 8.1606 129.6195 55.8886 29.2248 174.9046 111 P 3.8384 0.0000 0.0000 62.7929 31.7769 175.9733 112 D 4.3490 7.9734 120.8454 53.4346 40.3510 175.4605 113 F 5.1307 8.0562 123.9983 57.0428 39.5378 178.2190 114 S 4.1827 8.3313 118.3899 61.3217 62.6995 175.5459 115 D 4.7628 8.0708 117.2004 53.6444 39.8373 176.6872 116 V 4.5029 7.9323 112.3240 61.0179 33.1876 177.2096 117 E 4.0234 7.9941 120.2983 59.1860 29.1390 179.3973 118 V 3.4736 7.5383 118.7798 65.2221 31.2044 177.9520 119 Y 4.2644 7.1309 117.1538 60.4011 37.6179 178.7149 120 V 3.5397 7.7424 118.8471 65.9529 31.5808 177.7651 121 S 4.0423 8.2180 113.2038 61.8181 62.1644 176.0445 122 D 4.3467 8.1543 121.0662 57.2518 40.4512 178.7062 123 A 4.0274 8.3695 121.6037 55.1440 18.4538 179.2445 124 D 4.3989 8.4491 117.8331 57.6695 40.9087 179.4000 125 K 4.0646 7.8830 118.9045 59.4703 31.9884 179.5172 126 L 4.1870 8.2255 119.4098 57.6106 41.5309 178.9927 127 E 4.0008 8.6718 119.7238 59.3340 29.5275 178.2790 128 L 4.2061 8.0548 119.9635 58.6570 42.0624 178.9922 129 A 4.1910 8.3940 120.2937 55.1436 18.3510 179.3900 130 F 3.8993 8.9031 116.8082 60.9910 39.0146 177.7965 131 Q 4.1080 8.0487 120.4715 58.3136 28.8082 178.3689 132 G 3.8712 8.6739 107.1432 47.9180 0.0000 175.5848 133 V 3.6033 7.6920 119.8873 65.8629 31.8879 177.6719 134 E 4.1210 8.2293 118.0260 59.6551 29.3304 178.7989 135 Y 4.5183 8.2527 116.7036 60.1421 37.5138 178.0127 136 S 4.4937 8.0625 115.6546 61.4312 62.7227 176.5006 137 Q 4.1263 7.6643 120.1593 58.3758 28.4137 177.7457 138 Q 4.6133 7.9124 117.5018 56.1702 29.9077 175.7820 139 V 4.3005 7.9323 119.9886 60.2971 33.6430 175.2420 140 S 4.4085 8.9942 126.3126 61.3311 62.6349 175.9921 141 Y 4.1005 8.3507 120.9212 60.2859 38.5677 177.8162 142 A 4.4077 8.5236 121.6212 55.0140 18.4524 179.0730 143 I 3.7773 7.9058 117.3936 64.2939 37.9359 178.0951 144 R 4.1206 7.9878 120.6596 58.6764 29.5536 178.8700 145 F 4.1089 8.5218 115.9594 59.6791 38.9553 176.5038 146 A 4.6251 8.0536 118.2149 51.5585 18.4562 176.6894 147 E 4.5921 7.5361 117.5246 55.8761 31.1526 175.7422 148 N 4.1711 8.7977 116.4336 54.2691 36.1939 174.6796 149 V 3.6328 7.1391 115.3018 62.5268 32.0748 174.9601 150 E 4.4257 8.5594 126.7075 54.8235 30.2344 175.2541 151 L 4.8462 8.1447 123.5143 52.9924 44.4473 176.4722 152 K 4.2953 9.4559 120.7802 58.1017 33.5112 178.2259 153 T 4.4641 8.3402 109.3583 60.7424 71.4469 175.6311 154 D 4.3871 8.5904 122.2280 57.3248 40.9602 178.8733 155 A 3.9899 8.0725 120.6940 55.1905 18.4018 179.3085 156 A 4.0237 7.9837 119.0936 55.4034 18.4925 180.0109 157 K 4.0403 8.2063 116.9529 59.6410 31.9090 179.4811 158 E 4.0395 8.6268 119.2367 59.4916 29.3355 179.4843 159 I 3.8265 7.8558 119.8155 64.4917 37.1402 177.7683 160 Y 4.1730 8.4387 120.6703 60.6978 38.5415 178.1528 161 R 3.6820 8.1301 119.5257 59.4833 30.1645 178.7132 162 V 3.5068 7.4795 117.9304 65.7049 31.4563 177.5582 163 L 3.6844 7.9380 120.2463 58.5959 41.6423 179.0141 164 M 3.8923 7.5944 117.1538 57.6925 31.8713 178.1925 165 E 4.0723 7.9269 117.6197 59.0244 30.0181 179.1043 166 R 3.9227 8.0347 118.2584 58.0853 31.0499 177.8313 167 K 3.6552 7.7597 115.7165 57.5920 30.1449 175.8897 168 N 4.7309 7.6417 116.3253 51.1282 39.8242 171.4589 169 P 4.4578 0.0000 0.0000 63.0932 31.9277 177.2191 170 V 2.4911 7.4935 119.9932 61.9641 29.9942 175.1983 171 W 4.6066 7.3957 124.0031 55.9437 29.3499 176.5071 172 W 4.3067 6.5168 120.9956 56.4779 27.7431 175.9628 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 7 M 8.16 4.44 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 8 D 8.14 4.21 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 8.25 4.44 0.00 2.76 2.82 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 10 V 7.59 2.97 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 0.74 0.00 0.00 0.69 0.00 0.00 11 V 7.78 3.49 2.20 0.00 0.00 0.00 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 0.95 0.00 0.00 12 K 8.10 3.99 0.00 2.04 1.91 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 13 F 8.25 4.21 0.00 3.04 2.82 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 14 I 7.81 3.43 1.83 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 1.44 1.26 0.77 0.00 0.00 15 H 7.95 4.11 0.00 3.27 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.26 4.01 0.00 2.09 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 2.25 2.31 0.00 17 V 7.84 3.45 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 0.74 0.00 0.00 -0.03 0.00 0.00 18 G 7.76 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 19 S 7.95 4.22 0.00 4.06 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 20 L 7.80 4.11 0.00 1.82 1.75 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.91 4.19 0.00 1.78 1.84 0.00 1.62 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 1.42 1.53 7.81 22 L 7.63 4.51 0.00 1.74 1.66 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.39 4.48 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 1.23 0.00 0.00 24 P 0.00 4.58 0.00 2.25 2.11 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 25 R 9.04 4.21 0.00 2.37 2.14 0.00 3.33 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.19 0.00 26 S 8.71 4.36 0.00 4.07 4.14 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 27 G 8.03 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 0.00 0.00 0.00 28 W 7.44 4.41 0.00 3.48 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 29 L 7.99 4.22 0.00 1.87 1.75 1.00 0.79 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 30 K 8.01 4.14 0.00 1.88 1.97 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.55 7.81 31 L 7.72 4.14 0.00 2.06 1.84 1.26 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.19 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 33 I 7.30 3.86 1.78 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.40 0.27 0.00 0.00 34 R 8.49 4.22 0.00 1.77 1.96 0.00 3.30 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 35 L 7.33 4.74 0.00 1.57 1.57 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.66 0.00 2.31 2.11 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 37 E 9.25 4.42 0.00 2.14 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 0.00 2.38 2.58 0.00 38 S 9.27 4.94 0.00 4.21 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 39 V 9.09 3.65 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 1.08 0.00 0.00 1.09 0.00 0.00 40 A 8.05 4.02 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 41 E 8.06 3.96 0.00 2.34 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 0.00 2.28 2.30 0.00 42 H 8.47 4.37 0.00 3.58 3.62 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.34 4.04 0.00 3.95 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 44 F 8.60 4.08 0.00 3.07 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 45 R 8.14 3.47 0.00 1.90 2.00 0.00 2.90 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 46 A 8.17 3.88 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 47 A 8.06 3.88 1.37 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 48 I 7.16 3.52 1.60 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.33 0.69 0.00 0.00 49 I 7.95 3.63 1.91 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.90 0.00 0.00 50 A 8.36 4.00 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 51 F 8.29 4.08 0.00 3.16 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 52 I 7.88 3.59 1.98 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 1.57 0.78 0.88 0.00 0.00 53 L 7.96 3.89 0.00 1.72 1.80 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.56 2.83 0.72 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 55 L 7.29 3.67 0.00 1.55 1.53 0.60 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.01 4.07 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.60 7.81 57 S 7.56 4.74 0.00 3.92 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 58 G 7.57 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 0.00 0.00 0.00 59 E 7.70 4.34 0.00 1.73 1.75 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 2.21 1.91 0.00 60 S 8.21 4.29 0.00 4.18 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 61 V 8.29 3.45 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 1.23 0.00 0.00 0.94 0.00 0.00 62 E 8.18 4.01 0.00 2.11 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 2.42 2.50 0.00 63 K 8.22 4.07 0.00 1.93 1.86 0.00 1.70 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.46 7.81 64 A 8.20 3.81 0.75 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 65 C 8.47 4.34 0.00 3.29 3.09 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 66 K 8.05 4.08 0.00 1.96 2.08 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.73 1.76 7.81 67 A 8.24 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.03 3.92 4.42 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 1.57 0.00 0.00 70 A 7.52 2.78 0.73 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 0.00 0.00 0.00 0.00 0.00 71 A 7.87 4.08 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 72 L 7.71 3.95 0.00 1.96 1.67 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.65 4.26 0.00 3.22 3.32 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 74 H 7.92 4.25 0.00 3.28 3.53 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.01 4.76 0.00 2.77 2.66 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 76 L 7.80 4.01 0.00 1.82 1.97 0.88 0.82 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 77 H 8.37 4.39 0.00 3.41 3.66 0.00 5.46 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 78 E 7.67 4.17 0.00 2.06 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 2.34 2.10 0.00 79 A 7.94 4.16 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 R 8.23 4.06 0.00 1.88 1.80 0.00 3.29 0.00 0.00 3.29 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 *101 E 8.05 4.24 0.00 2.05 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 2.25 2.29 0.00 102 E 8.87 3.91 0.00 2.19 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 2.33 2.32 0.00 103 Q 8.17 4.15 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.83 0.00 0.00 0.00 0.00 0.00 2.87 2.83 0.00 104 L 7.70 4.10 0.00 1.58 1.26 0.99 1.33 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 0.00 105 S 7.51 3.99 0.00 3.95 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 0.00 106 W 7.92 4.32 0.00 3.53 3.24 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 0.00 107 M 6.63 4.18 0.00 1.55 1.29 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 108 E 8.54 3.95 0.00 1.87 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 2.23 2.28 0.00 109 S 7.47 4.10 0.00 3.74 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 0.00 110 K 8.16 3.56 0.00 1.75 1.80 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.15 1.28 7.81 111 P 0.00 3.84 0.00 1.00 1.55 0.00 3.44 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.36 0.00 112 D 7.97 4.35 0.00 2.50 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 5.13 0.00 3.23 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 0.00 114 S 8.33 4.18 0.00 4.05 4.14 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 0.00 115 D 8.07 4.76 0.00 2.84 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 0.00 116 V 7.93 4.50 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 0.00 0.00 1.11 0.00 0.00 1.12 0.00 0.00 117 E 7.99 4.02 0.00 2.00 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 2.59 2.52 0.00 118 V 7.54 3.47 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 -0.05 0.00 0.00 0.75 0.00 0.00 119 Y 7.13 4.26 0.00 3.16 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 0.00 120 V 7.74 3.54 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 1.03 0.00 0.00 0.98 0.00 0.00 121 S 8.22 4.04 0.00 3.88 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 0.00 122 D 8.15 4.35 0.00 2.98 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 0.00 123 A 8.37 4.03 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.45 4.40 0.00 2.89 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 0.00 125 K 7.88 4.06 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.58 7.81 126 L 8.23 4.19 0.00 2.05 1.93 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.67 4.00 0.00 2.22 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 0.00 2.30 2.72 0.00 128 L 8.05 4.21 0.00 2.08 2.10 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.39 4.19 1.60 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 0.00 130 F 8.90 3.90 0.00 3.38 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 0.00 131 Q 8.05 4.11 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.27 1.16 0.00 132 G 8.67 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 0.00 133 V 7.69 3.60 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 0.80 0.00 0.00 0.84 0.00 0.00 134 E 8.23 4.12 0.00 1.97 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 2.40 2.44 0.00 135 Y 8.25 4.52 0.00 2.70 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 0.00 136 S 8.06 4.49 0.00 4.13 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 0.00 137 Q 7.66 4.13 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 138 Q 7.91 4.61 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 139 V 7.93 4.30 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 1.10 0.00 0.00 0.92 0.00 0.00 140 S 8.99 4.41 0.00 3.99 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 0.00 141 Y 8.35 4.10 0.00 3.20 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 0.00 142 A 8.52 4.41 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 0.00 0.00 0.00 0.00 0.00 143 I 7.91 3.78 1.91 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 1.52 1.22 0.96 0.00 0.00 144 R 7.99 4.12 0.00 1.57 1.69 0.00 3.04 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 145 F 8.52 4.11 0.00 3.37 3.21 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 0.00 146 A 8.05 4.63 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 0.00 147 E 7.54 4.59 0.00 2.24 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 2.28 2.29 0.00 148 N 8.80 4.17 0.00 2.86 2.89 0.00 0.00 6.92 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 0.00 149 V 7.14 3.63 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 0.55 0.00 0.00 0.97 0.00 0.00 150 E 8.56 4.43 0.00 1.93 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 2.19 2.22 0.00 151 L 8.14 4.85 0.00 1.53 1.52 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 152 K 9.46 4.30 0.00 1.64 1.81 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.32 7.81 153 T 8.34 4.46 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 1.26 0.00 0.00 154 D 8.59 4.39 0.00 2.81 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 0.00 155 A 8.07 3.99 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 0.00 156 A 7.98 4.02 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 0.00 157 K 8.21 4.04 0.00 2.01 1.95 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.64 7.81 158 E 8.63 4.04 0.00 2.19 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 2.36 2.52 0.00 159 I 7.86 3.83 2.03 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 1.50 0.77 1.21 0.00 0.00 160 Y 8.44 4.17 0.00 3.14 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 0.00 161 R 8.13 3.68 0.00 2.06 2.06 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 162 V 7.48 3.51 2.10 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 1.01 0.00 0.00 1.00 0.00 0.00 163 L 7.94 3.68 0.00 1.34 1.56 -0.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 164 M 7.59 3.89 0.00 1.75 1.67 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 165 E 7.93 4.07 0.00 2.06 2.17 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 2.43 2.30 0.00 166 R 8.03 3.92 0.00 1.74 1.97 0.00 3.45 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 167 K 7.76 3.66 0.00 1.75 1.76 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.49 7.81 168 N 7.64 4.73 0.00 2.65 2.63 0.00 0.00 7.30 7.69 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 0.00 169 P 0.00 4.46 0.00 2.32 2.19 0.00 3.76 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 1.99 1.96 0.00 170 V 7.49 2.49 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 -0.55 0.00 0.00 0.57 0.00 0.00 171 W 7.40 4.61 0.00 3.56 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 0.00 172 W 6.52 4.31 0.00 2.80 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 * Residues marked with a * may have inaccurate shift predictions.