NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8521 8.1400 114.7984 57.7668 64.7095 174.1146 2 L 4.0182 8.7546 123.7372 58.2354 41.7582 178.0661 3 L 4.0990 8.7691 119.8396 57.7735 41.9471 178.7718 4 E 4.0373 8.1170 118.4619 59.3258 29.3457 179.0082 5 F 4.6452 8.7600 121.1096 61.4631 39.4152 177.4329 6 G 3.5362 8.4067 105.4022 47.5286 0.0000 175.6933 7 K 4.0097 8.1089 122.0635 59.3947 32.2225 178.5333 8 M 4.2931 8.4693 118.8249 58.8340 32.0624 178.1537 9 I 3.6037 7.9873 120.2105 64.3088 37.2527 178.1823 10 L 4.4181 7.8155 122.2895 57.7320 41.7246 178.7020 11 E 3.9901 8.2777 117.6765 59.4774 29.5031 178.8275 12 E 4.1018 8.2863 118.3172 59.0276 29.9069 178.0338 13 T 4.4361 8.1996 107.4706 60.8502 70.4387 175.7502 14 G 3.7818 8.2648 109.8672 45.7774 0.0000 173.0660 *16 K 4.5686 7.4315 117.7311 55.8794 33.4795 175.0213 17 L 4.3587 8.1575 122.1255 54.2598 42.5255 177.7680 18 A 4.0483 8.9329 126.8715 54.7239 18.4919 177.0409 19 I 4.5916 7.6645 116.0994 59.3420 38.4581 173.6038 20 P 4.8836 0.0000 0.0000 61.8086 31.7059 176.5784 21 S 4.2461 8.0612 116.3206 60.9907 62.6920 174.6764 22 Y 4.7944 8.4891 114.8354 57.4626 38.7328 176.1958 23 S 4.7308 8.1680 116.0681 59.5437 64.2458 175.3606 24 S 4.5341 7.7988 116.6456 57.7114 63.3212 172.3660 25 Y 4.8186 8.3826 122.7366 58.3487 40.0582 175.2995 26 G 3.4717 8.2145 116.9658 46.7441 0.0000 173.1139 27 C 4.5201 9.4042 115.5889 58.1791 40.8716 174.5794 28 Y 4.4185 8.6264 114.6693 57.5753 39.6030 174.8534 29 C 4.7383 8.5459 118.9238 57.5695 40.4165 174.6268 30 G 4.5946 9.4172 113.1764 45.8298 0.0000 172.2441 31 W 4.7692 7.7433 133.8648 57.2355 32.6693 173.3601 32 G 4.4251 7.6133 107.4686 45.6205 0.0000 172.0966 33 G 4.5058 7.4396 114.6529 45.5663 0.0000 173.0449 34 K 4.5881 6.8699 118.3822 55.0938 35.7854 175.8397 35 G 4.4893 9.5580 106.2247 45.2138 0.0000 172.9865 36 T 4.2642 8.0009 115.4200 61.5635 69.1173 173.6177 37 P 4.6254 0.0000 0.0000 62.9824 31.9175 176.8170 38 K 3.7817 8.7509 121.5597 59.2221 32.3339 176.1728 39 D 4.4568 7.2484 115.5013 51.4732 41.8276 175.3730 40 A 4.0127 8.6470 119.7439 55.8377 18.0695 179.8921 41 T 3.9988 8.0508 113.7672 67.0102 68.5763 176.1768 42 D 4.5946 9.0303 120.2822 57.5635 41.1466 178.5335 43 R 3.9762 8.2467 118.6683 59.1441 29.9769 178.2572 44 C 4.1909 8.2436 116.6069 60.4112 40.3273 175.6082 45 C 4.3218 8.1745 118.0869 59.5818 40.4490 175.8809 46 F 3.7117 8.5591 122.9501 61.3072 38.9372 177.4055 47 V 3.4887 8.0882 117.9403 66.0329 31.2068 177.4080 48 H 3.8211 8.2044 118.0400 59.2541 29.5516 176.9697 49 D 4.1388 8.0985 120.8375 57.5235 40.3926 178.2102 50 C 4.0859 7.5537 115.8687 59.8593 34.7430 174.9338 51 C 4.2695 8.4471 120.3488 60.0993 43.7225 175.3768 52 Y 4.2331 8.0664 118.4121 61.0007 37.1667 178.7696 53 G 3.5878 7.9939 105.6252 47.2175 0.0000 174.9491 54 N 4.5711 7.7896 116.8541 54.2644 39.9166 175.0784 55 L 4.8134 7.5185 120.0110 52.5604 41.9726 174.8438 56 P 4.1730 0.0000 0.0000 65.8051 32.2979 178.5815 *59 D 4.9489 7.8835 116.5487 54.2807 42.5425 175.3017 *61 C 5.2154 7.6296 116.0580 57.3055 42.7650 172.8432 *67 N 5.0611 7.9474 116.4311 52.9091 38.3445 173.6357 68 P 4.0688 0.0000 0.0000 64.8457 32.2033 179.2830 69 K 4.0996 8.1183 118.0536 58.5849 32.1849 178.5471 70 S 4.5032 7.7666 110.8638 58.6201 64.8536 174.0420 71 D 4.4000 8.0950 121.3801 54.0311 41.3572 175.3181 72 R 4.5345 8.4082 125.6656 54.8130 31.6507 175.0124 73 Y 4.9682 7.8791 119.1976 55.0151 41.1949 174.6121 74 K 4.9960 8.5869 118.8865 55.0080 35.1724 175.0007 75 Y 5.4984 8.2972 120.4902 55.7420 41.4456 173.3602 76 K 4.6948 9.2757 119.1091 55.4431 37.0777 174.6074 77 R 5.1406 8.5634 118.4384 54.4312 32.6358 176.2169 78 V 4.2209 8.7525 124.2167 62.2170 33.3192 175.5361 79 N 4.6476 8.5682 128.8954 54.3967 35.5402 176.5570 80 G 3.9957 8.8121 115.9175 45.9428 0.0000 172.6626 81 A 4.2796 7.7834 123.0551 51.7108 19.7190 176.9660 82 I 4.4887 8.3064 122.7848 60.8958 38.4723 175.6263 83 V 4.3470 9.0181 126.9856 61.0182 34.0700 173.8912 84 C 4.8248 8.8585 126.4692 57.1090 40.4985 173.6570 85 E 4.5689 8.9933 124.0798 55.0282 30.9029 176.3815 86 K 4.4408 7.9306 122.9060 55.8405 33.6320 175.5593 *88 G 4.2480 8.2862 114.6481 45.3852 0.0000 172.6731 89 T 4.2399 8.7641 115.0452 61.0194 71.0826 175.9373 90 S 4.0941 8.4737 116.8483 61.9834 62.7685 177.6260 91 C 4.2359 8.1299 118.5381 60.1731 40.7742 175.9015 92 E 4.0056 8.1285 119.8970 59.4828 28.5837 179.2240 93 N 4.2770 8.3422 116.5538 56.4391 38.6167 177.7711 94 R 3.9547 7.9665 119.4600 59.0212 30.1683 179.0311 95 I 3.6181 8.0461 120.1361 64.5524 37.1158 177.5854 96 C 3.0004 7.9471 119.2251 59.3297 39.5565 175.4676 97 E 3.7961 7.9872 120.0976 59.4439 29.0806 178.7254 98 C 4.1800 8.0331 116.5777 60.0740 40.8642 175.9691 99 D 3.8145 7.9656 120.4014 56.8924 40.4082 178.4840 100 K 3.6916 8.2086 120.3751 59.5634 32.0498 178.4956 101 A 3.8787 7.7878 120.4913 55.1074 18.2310 179.4896 102 A 3.4621 7.7285 118.6897 54.9957 18.3922 179.6838 103 A 3.9397 8.1273 119.4471 55.4032 18.3987 179.9587 104 I 3.6259 7.7478 118.2789 64.5461 36.9288 177.7937 105 C 4.1811 7.9443 118.5148 59.7425 37.9247 175.3174 106 F 4.5601 8.1338 119.7368 60.6238 38.1779 177.6279 107 R 3.9484 8.1186 118.3869 59.5461 29.7217 178.4036 108 Q 4.0993 8.4406 118.3156 58.1094 29.2113 176.3459 109 N 5.0754 7.7336 115.3157 52.8481 39.7822 176.1560 110 L 4.1686 7.9271 122.0919 57.8390 41.7921 179.2771 111 N 4.4702 8.3443 114.9708 55.1207 37.1360 175.3834 112 T 4.5790 7.7921 106.6713 60.9440 69.2552 173.4889 113 Y 4.1123 8.0049 124.6895 58.2105 39.4025 174.8270 114 S 4.9622 8.7818 121.0883 56.0569 64.8650 174.7931 115 K 4.0570 8.8757 127.6294 59.1159 32.0210 179.0045 116 K 3.9086 7.2343 115.8545 59.0904 32.5912 177.2048 117 Y 4.4457 7.3520 116.6342 58.0417 38.1201 175.2161 118 M 4.4601 7.6710 120.8660 56.1938 32.5800 175.9906 119 L 3.6564 8.3543 121.2622 55.6268 39.9874 174.5886 120 Y 4.1622 8.1736 119.1567 56.7157 39.6095 173.6408 121 P 4.3354 0.0000 0.0000 62.4701 32.3307 176.5812 122 D 4.2542 8.9373 121.6505 57.2775 41.2255 177.9586 *124 F 4.7599 7.8325 111.2751 56.4773 39.5621 175.2217 125 L 3.8445 6.8921 119.6525 54.6767 41.2952 176.0662 126 C 4.8890 8.0027 117.5950 54.9679 41.9404 173.2301 127 K 4.7051 8.3308 123.2450 55.2484 35.6048 176.9110 128 G 4.2936 8.8627 107.6360 46.1637 0.0000 172.4431 129 E 4.6782 8.3440 120.7214 54.8284 30.8493 175.6832 130 L 4.7186 8.0073 123.7097 52.8695 43.9119 176.4023 131 K 4.1138 8.5049 125.8666 56.6134 32.8930 177.9122 *133 C 4.9070 8.5789 118.6764 57.4737 41.5362 173.7216 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 S 8.14 4.85 0.00 4.14 4.20 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 0.00 0.00 0.00 0.00 2 L 8.75 4.02 0.00 1.93 1.83 1.20 0.62 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 3 L 8.77 4.10 0.00 1.76 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.12 4.04 0.00 2.00 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 2.25 2.23 0.00 5 F 8.76 4.65 0.00 3.43 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 6 G 8.41 3.54 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 0.00 0.00 0.00 7 K 8.11 4.01 0.00 1.92 2.09 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.51 7.81 8 M 8.47 4.29 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 9 I 7.99 3.60 1.83 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.19 0.58 0.00 0.00 10 L 7.82 4.42 0.00 1.77 1.83 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.28 3.99 0.00 2.21 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 2.41 2.52 0.00 12 E 8.29 4.10 0.00 2.15 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 0.00 2.45 2.38 0.00 13 T 8.20 4.44 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 1.28 0.00 0.00 14 G 8.26 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 *16 K 7.43 4.57 0.00 1.87 1.60 0.00 1.38 0.00 0.00 0.91 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 17 L 8.16 4.36 0.00 1.68 1.76 0.91 0.73 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 18 A 8.93 4.05 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 19 I 7.66 4.59 1.90 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 1.53 0.72 0.94 0.00 0.00 20 P 0.00 4.88 0.00 2.18 2.14 0.00 3.35 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 8.06 4.25 0.00 3.74 3.20 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 0.00 0.00 0.00 0.00 22 Y 8.49 4.79 0.00 2.74 2.62 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 23 S 8.17 4.73 0.00 4.09 4.19 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 24 S 7.80 4.53 0.00 3.99 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 25 Y 8.38 4.82 0.00 3.09 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 26 G 8.21 3.47 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 0.00 27 C 9.40 4.52 0.00 3.02 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 28 Y 8.63 4.42 0.00 3.38 3.25 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 29 C 8.55 4.74 0.00 3.55 3.52 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 30 G 9.42 4.59 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 31 W 7.74 4.77 0.00 3.33 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 32 G 7.61 4.43 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 0.00 33 G 7.44 4.51 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 0.00 0.00 0.00 34 K 6.87 4.59 0.00 2.07 1.80 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.26 1.58 7.81 35 G 9.56 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 4.26 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 1.15 0.00 0.00 37 P 0.00 4.63 0.00 1.92 2.03 0.00 3.45 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 38 K 8.75 3.78 0.00 0.79 0.74 0.00 1.67 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.90 0.21 7.81 39 D 7.25 4.46 0.00 2.91 2.77 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 0.00 0.00 0.00 40 A 8.65 4.01 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 41 T 8.05 4.00 4.41 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 0.96 0.00 0.00 42 D 9.03 4.59 0.00 2.98 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 43 R 8.25 3.98 0.00 2.07 1.94 0.00 3.10 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 44 C 8.24 4.19 0.00 3.27 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 45 C 8.17 4.32 0.00 3.38 3.52 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 46 F 8.56 3.71 0.00 2.54 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 47 V 8.09 3.49 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 0.87 0.00 0.00 1.05 0.00 0.00 48 H 8.20 3.82 0.00 3.13 3.29 0.00 5.65 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 49 D 8.10 4.14 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.55 4.09 0.00 2.91 2.96 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 0.00 0.00 0.00 51 C 8.45 4.27 0.00 2.97 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 52 Y 8.07 4.23 0.00 3.04 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 53 G 7.99 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 54 N 7.79 4.57 0.00 2.86 2.85 0.00 0.00 6.77 7.15 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 55 L 7.52 4.81 0.00 1.57 1.51 0.86 1.21 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 56 P 0.00 4.17 0.00 2.19 2.28 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 *59 D 7.88 4.95 0.00 2.76 2.73 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 *61 C 7.63 5.22 0.00 3.02 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 *67 N 7.95 5.06 0.00 2.73 2.77 0.00 0.00 7.63 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 68 P 0.00 4.07 0.00 1.08 0.64 0.00 3.34 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 1.22 1.47 0.00 69 K 8.12 4.10 0.00 1.82 1.90 0.00 1.65 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.46 7.81 70 S 7.77 4.50 0.00 3.94 3.96 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 0.00 0.00 0.00 71 D 8.09 4.40 0.00 2.76 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 72 R 8.41 4.53 0.00 1.79 1.86 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 73 Y 7.88 4.97 0.00 3.06 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 74 K 8.59 5.00 0.00 1.75 1.91 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.36 7.81 75 Y 8.30 5.50 0.00 3.10 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 76 K 9.28 4.69 0.00 1.79 1.91 0.00 1.27 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.43 7.81 77 R 8.56 5.14 0.00 1.71 1.91 0.00 3.39 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 78 V 8.75 4.22 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 1.02 0.00 0.00 0.95 0.00 0.00 79 N 8.57 4.65 0.00 2.96 2.06 0.00 0.00 6.95 7.65 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 80 G 8.81 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 81 A 7.78 4.28 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 82 I 8.31 4.49 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 1.28 0.61 0.77 0.00 0.00 83 V 9.02 4.35 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 1.08 0.00 0.00 0.96 0.00 0.00 84 C 8.86 4.82 0.00 2.95 2.98 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 85 E 8.99 4.57 0.00 2.06 1.91 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 2.35 2.31 0.00 86 K 7.93 4.44 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.76 4.24 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 90 S 8.47 4.09 0.00 3.87 3.94 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 91 C 8.13 4.24 0.00 2.95 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 92 E 8.13 4.01 0.00 2.32 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 2.54 2.54 0.00 93 N 8.34 4.28 0.00 2.85 2.83 0.00 0.00 7.04 7.19 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 94 R 7.97 3.95 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 95 I 8.05 3.62 2.01 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 1.18 0.93 0.95 0.00 0.00 96 C 7.95 3.00 0.00 2.15 2.87 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 97 E 7.99 3.80 0.00 2.08 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 2.43 2.43 0.00 98 C 8.03 4.18 0.00 3.20 2.95 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 99 D 7.97 3.81 0.00 2.73 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 0.00 100 K 8.21 3.69 0.00 1.63 1.89 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 7.79 3.88 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 0.00 102 A 7.73 3.46 1.05 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 0.00 103 A 8.13 3.94 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 0.00 104 I 7.75 3.63 1.94 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 1.38 0.72 0.88 0.00 0.00 105 C 7.94 4.18 0.00 2.91 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 0.00 106 F 8.13 4.56 0.00 3.02 2.68 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 0.00 107 R 8.12 3.95 0.00 1.97 2.13 0.00 3.17 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.44 4.10 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 N 7.73 5.08 0.00 3.01 2.86 0.00 0.00 6.83 6.29 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 0.00 110 L 7.93 4.17 0.00 1.74 1.76 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.34 4.47 0.00 2.87 3.01 0.00 0.00 5.80 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 0.00 112 T 7.79 4.58 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 1.27 0.00 0.00 113 Y 8.00 4.11 0.00 3.08 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 0.00 114 S 8.78 4.96 0.00 3.81 3.47 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 0.00 115 K 8.88 4.06 0.00 1.87 1.88 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.62 7.81 116 K 7.23 3.91 0.00 1.67 1.72 0.00 1.25 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.66 0.25 7.81 117 Y 7.35 4.45 0.00 1.66 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 0.00 0.00 0.00 118 M 7.67 4.46 0.00 2.06 2.15 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 2.77 2.68 0.00 119 L 8.35 3.66 0.00 1.83 1.74 0.92 0.81 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 0.00 120 Y 8.17 4.16 0.00 3.04 3.05 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 0.00 121 P 0.00 4.34 0.00 2.41 2.20 0.00 3.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.84 0.00 122 D 8.94 4.25 0.00 2.78 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 *124 F 7.83 4.76 0.00 3.24 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 0.00 125 L 6.89 3.84 0.00 1.12 1.48 0.38 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.00 4.89 0.00 3.07 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 0.00 127 K 8.33 4.71 0.00 1.78 1.67 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.38 7.81 128 G 8.86 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 0.00 0.00 0.00 0.00 129 E 8.34 4.68 0.00 2.02 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 2.33 2.27 0.00 130 L 8.01 4.72 0.00 1.73 1.56 0.82 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.50 4.11 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.50 7.81 *133 C 8.58 4.91 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.