NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2656 8.1127 120.8620 56.0438 30.5844 177.3141 3 V 3.6171 8.5649 114.0075 63.6724 31.8151 175.7940 4 K 3.8015 9.7516 119.9179 61.0968 32.9976 177.1871 5 M 3.3516 8.0137 116.8031 53.0707 31.0395 175.8614 6 H 4.4300 9.0979 114.1384 56.3296 31.1869 177.0872 7 V 2.5035 8.1146 110.5036 62.0198 33.6198 179.2889 8 K 4.4387 8.2359 133.4843 57.8307 34.0044 176.2059 9 K 4.2731 7.8225 120.6422 59.1016 35.3930 177.1676 10 G 4.0572 8.3285 99.5645 43.8254 0.0000 171.3643 11 D 4.6548 7.6567 120.9215 52.7235 42.7817 176.5779 12 T 4.1560 8.5816 115.1332 64.8420 68.6270 174.3539 13 V 4.6257 8.6431 118.2674 59.6848 36.8478 175.1362 14 L 4.3884 10.1408 126.6381 54.8298 44.4713 175.8718 15 V 4.4284 8.1517 118.7141 61.1873 33.2678 174.0425 16 A 4.9308 8.3375 130.3194 50.8408 19.6718 179.1306 17 S 4.5178 8.4916 117.9529 60.0334 61.6788 174.8001 18 G 3.9684 8.2987 103.9115 46.5373 0.0000 173.3866 19 K 4.0112 8.0740 119.0715 58.6423 33.0308 178.6517 20 Y 4.1728 7.4864 114.3717 57.5301 38.1132 174.6700 21 K 4.0600 7.5237 122.5014 61.1199 31.9004 174.9893 22 G 4.1818 9.8233 119.5119 46.2691 0.0000 173.3263 23 R 3.9482 7.1410 118.2725 56.3640 30.5654 175.3390 24 V 4.5361 8.1256 122.2582 61.3680 34.4486 174.4528 25 G 4.1949 8.2610 112.1591 44.3848 0.0000 172.7406 26 K 4.8306 8.5239 127.2373 55.3509 33.8776 177.7529 27 V 3.5463 8.4709 117.0088 63.2697 31.4354 175.9555 28 K 4.3128 8.4915 123.4658 55.9064 33.2638 176.3699 29 E 3.5012 8.1439 111.9476 57.2688 25.9476 174.7949 30 V 3.7099 7.8202 122.7337 62.7312 31.6294 174.8912 31 L 4.2305 7.7372 122.7124 54.4272 42.2604 175.7297 32 P 4.7955 0.0000 0.0000 62.3779 32.8748 177.3719 33 K 3.8356 8.2783 119.0850 59.9017 32.1687 177.7836 34 K 3.9553 8.0328 117.8806 58.3029 32.8799 175.1819 35 Y 3.4765 9.6676 117.7497 56.7115 36.6527 166.6909 36 A 4.5873 6.8134 121.6243 51.8414 22.9323 175.3703 37 V 4.2970 8.2753 111.0233 61.1258 33.1315 174.6996 38 I 4.4855 7.9423 120.5528 60.9040 46.9400 179.0434 39 V 3.7359 8.6562 122.0584 63.3353 31.0053 173.3385 40 E 5.0429 8.9716 112.6483 57.7957 36.2268 175.6599 41 G 3.4591 7.7091 101.1243 47.2077 0.0000 177.7175 42 V 3.1216 8.1803 125.3205 62.0573 32.8048 174.6767 43 N 4.9045 8.0934 115.3090 53.1684 43.5682 175.5585 44 I 3.1767 7.8058 118.4259 60.9785 36.5732 172.7015 45 V 4.6308 7.9954 118.6216 61.0840 35.8940 174.6344 46 K 4.1129 9.6661 123.9667 55.5731 32.0514 177.3030 47 K 2.8763 8.3939 125.0615 56.7418 34.3317 174.1645 48 A 3.8567 6.6944 125.6965 53.5626 17.5018 178.6373 49 V 4.1332 8.1163 118.0158 62.8091 32.3717 176.2647 50 R 4.1426 7.9096 114.8882 56.7153 29.3417 175.2935 51 V 3.8163 8.0068 117.6569 62.6184 31.8728 175.7773 52 S 5.7059 8.0249 124.2323 58.7712 63.1921 172.2043 53 P 4.2727 0.0000 0.0000 62.4576 30.1257 174.2932 54 K 4.0194 8.1795 121.9902 55.4457 33.5378 174.1219 55 Y 3.3823 8.3078 124.1162 58.7586 38.8373 169.7200 56 P 4.1931 0.0000 0.0000 61.9069 34.5520 178.3419 57 Q 4.6210 8.6466 135.0000 57.0370 27.8349 176.6806 58 G 4.0558 8.0051 106.7990 43.9626 0.0000 171.1686 59 G 4.1322 8.5113 110.6736 46.0892 0.0000 173.1696 60 F 4.5856 8.9528 120.8448 57.7999 38.7593 176.7852 61 I 3.5599 7.2159 121.2029 61.9653 37.5891 179.5046 62 E 3.8060 8.6470 122.5977 55.9761 27.6832 172.6002 63 K 4.5731 7.8695 117.0312 55.8623 36.4143 174.8345 64 E 4.8840 8.7536 117.9577 56.1802 29.8291 176.4628 65 A 4.2479 8.2996 126.3135 51.4192 19.2693 175.4873 66 P 4.9897 0.0000 0.0000 65.2407 31.8030 173.8475 67 L 3.4191 7.9661 122.6110 55.3646 41.3765 172.9149 68 H 4.1520 8.7750 120.8359 56.1142 30.3517 175.3831 69 A 3.9634 8.0275 129.1165 54.8163 18.3604 179.5791 70 S 4.2286 8.2148 109.4899 60.8585 62.7573 174.9512 71 K 4.2414 8.2417 118.6760 57.4415 32.2553 176.4461 72 V 4.8206 7.2785 112.0342 59.5912 33.8505 175.5911 73 R 4.7745 8.4508 121.9649 53.4657 33.7612 173.6229 74 P 4.7363 0.0000 0.0000 63.4881 32.8286 174.8329 75 I 4.3849 7.3428 118.0166 60.6018 40.8417 173.9180 76 C 4.6226 8.8227 120.7540 59.6233 33.9274 174.2537 77 P 3.9838 0.0000 0.0000 61.4226 27.7302 173.4622 78 A 4.7892 7.6987 129.9034 49.7917 17.3675 180.4706 79 C 5.7555 9.1164 131.4714 63.3197 31.3249 172.2156 80 G 3.9415 7.7819 112.1348 41.8852 0.0000 170.9366 81 K 3.9299 8.6979 129.7726 54.6426 32.8037 175.4415 82 P 4.7771 0.0000 0.0000 61.7737 30.5126 176.6464 83 T 4.5307 8.1152 116.6722 62.7493 71.5271 172.0555 84 R 4.6852 8.2105 119.3127 55.6396 34.7609 174.3262 85 V 4.9909 8.2682 111.0969 60.2845 35.2046 175.1956 86 R 4.7364 9.0801 124.2829 54.2261 32.5761 177.1072 87 K 3.9466 8.7581 124.0687 58.2163 32.9028 179.7587 88 K 3.9363 8.6553 115.4460 55.9414 30.7901 175.9785 89 F 3.9323 9.0385 119.2276 58.1088 38.0118 174.1503 90 L 4.3721 7.5209 119.8815 55.6926 43.6732 173.7066 91 E 4.6457 7.5945 116.8773 56.1224 33.4811 173.0961 92 N 5.1677 8.1807 118.9659 51.8903 41.6776 175.5323 93 G 4.3344 8.3130 111.1574 44.9323 0.0000 172.9836 94 K 5.4064 8.6472 123.6248 55.5884 35.1682 175.3051 95 K 4.4140 7.8976 118.3008 56.2164 35.1904 174.7329 96 I 4.1755 8.4707 121.4777 59.5324 39.0991 175.1783 97 R 3.7932 8.2444 120.1767 57.3387 29.1615 174.8597 98 V 3.2429 8.2364 126.6700 61.3797 29.3366 171.4223 99 C 4.8595 7.0652 119.8214 61.1107 33.4465 172.9506 100 A 4.1040 8.7221 127.5083 53.8387 20.8756 176.0003 101 K 3.8308 8.1977 124.0584 56.5874 33.0594 176.4587 *102 C 4.3630 8.3968 116.4518 57.9833 28.5244 173.1068 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 R 8.11 4.27 0.00 1.83 1.73 0.00 3.35 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 3 V 8.56 3.62 2.06 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 0.82 0.00 0.00 0.92 0.00 0.00 4 K 9.75 3.80 0.00 1.91 1.96 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.55 7.81 5 M 8.01 3.35 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.01 0.00 6 H 9.10 4.43 0.00 3.29 3.40 0.00 5.53 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 7 V 8.11 2.50 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 0.71 0.00 0.00 0.86 0.00 0.00 8 K 8.24 4.44 0.00 1.61 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 9 K 7.82 4.27 0.00 1.90 1.69 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.31 7.81 10 G 8.33 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 0.00 0.00 0.00 11 D 7.66 4.65 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 4.16 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 1.25 0.00 0.00 13 V 8.64 4.63 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 0.76 0.00 0.00 0.91 0.00 0.00 14 L 10.14 4.39 0.00 1.78 1.64 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.15 4.43 2.33 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 1.03 0.00 0.00 1.00 0.00 0.00 16 A 8.34 4.93 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 17 S 8.49 4.52 0.00 4.04 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 18 G 8.30 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 19 K 8.07 4.01 0.00 1.83 1.92 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.07 1.33 7.81 20 Y 7.49 4.17 0.00 3.18 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 21 K 7.52 4.06 0.00 1.84 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 22 G 9.82 4.18 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 0.00 23 R 7.14 3.95 0.00 1.93 2.02 0.00 3.30 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 24 V 8.13 4.54 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 0.86 0.00 0.00 0.98 0.00 0.00 25 G 8.26 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 0.00 0.00 0.00 26 K 8.52 4.83 0.00 1.84 1.25 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.51 7.81 27 V 8.47 3.55 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 1.07 0.00 0.00 0.96 0.00 0.00 28 K 8.49 4.31 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.26 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.24 1.30 7.81 29 E 8.14 3.50 0.00 2.01 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 2.23 2.32 0.00 30 V 7.82 3.71 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 0.86 0.00 0.00 0.87 0.00 0.00 31 L 7.74 4.23 0.00 1.75 1.68 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.80 0.00 2.28 2.40 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 K 8.28 3.84 0.00 1.76 1.97 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.54 7.81 34 K 8.03 3.96 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 35 Y 9.67 3.48 0.00 3.20 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 36 A 6.81 4.59 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 37 V 8.28 4.30 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 0.63 0.00 0.00 1.00 0.00 0.00 38 I 7.94 4.49 2.00 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 1.31 1.26 0.92 0.00 0.00 39 V 8.66 3.74 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 0.89 0.00 0.00 40 E 8.97 5.04 0.00 1.93 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 2.19 2.18 0.00 41 G 7.71 3.46 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 42 V 8.18 3.12 1.92 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 1.00 0.00 0.00 0.79 0.00 0.00 43 N 8.09 4.90 0.00 2.67 2.75 0.00 0.00 7.37 7.45 0.00 0.00 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 I 7.81 3.18 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 1.33 0.36 0.93 0.00 0.00 45 V 8.00 4.63 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 1.21 0.00 0.00 1.07 0.00 0.00 46 K 9.67 4.11 0.00 1.56 1.31 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.25 7.81 47 K 8.39 2.88 0.00 1.71 1.77 0.00 1.26 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.09 1.15 7.81 48 A 6.69 3.86 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 49 V 8.12 4.13 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 0.86 0.00 0.00 1.04 0.00 0.00 50 R 7.91 4.14 0.00 1.92 2.25 0.00 3.51 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 51 V 8.01 3.82 2.06 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 0.86 0.00 0.00 0.92 0.00 0.00 52 S 8.02 5.71 0.00 4.08 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 53 P 0.00 4.27 0.00 2.05 2.19 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.39 0.00 54 K 8.18 4.02 0.00 1.33 0.97 0.00 1.69 0.00 0.00 1.27 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.93 7.81 55 Y 8.31 3.38 0.00 3.16 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 56 P 0.00 4.19 0.00 2.20 1.62 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 57 Q 8.65 4.62 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 58 G 8.01 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 0.00 0.00 0.00 59 G 8.51 4.13 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 0.00 60 F 8.95 4.59 0.00 2.96 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 61 I 7.22 3.56 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.93 0.00 0.00 62 E 8.65 3.81 0.00 2.21 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 0.00 2.19 2.31 0.00 63 K 7.87 4.57 0.00 1.73 1.65 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 E 8.75 4.88 0.00 2.01 1.76 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 2.21 2.42 0.00 65 A 8.30 4.25 1.20 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 0.00 0.00 66 P 0.00 4.99 0.00 2.04 2.13 0.00 3.87 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 67 L 7.97 3.42 0.00 1.96 1.84 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.78 4.15 0.00 3.20 3.24 0.00 5.68 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 69 A 8.03 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.21 4.23 0.00 3.96 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 71 K 8.24 4.24 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.42 7.81 72 V 7.28 4.82 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 0.65 0.00 0.00 0.92 0.00 0.00 73 R 8.45 4.77 0.00 1.74 1.76 0.00 3.14 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 74 P 0.00 4.74 0.00 2.10 2.20 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 75 I 7.34 4.38 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 1.31 0.37 0.91 0.00 0.00 76 C 8.82 4.62 0.00 2.87 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 77 P 0.00 3.98 0.00 2.13 2.17 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 78 A 7.70 4.79 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 79 C 9.12 5.76 0.00 3.19 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 80 G 7.78 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 0.00 0.00 0.00 81 K 8.70 3.93 0.00 1.92 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.44 7.81 82 P 0.00 4.78 0.00 2.04 1.63 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 83 T 8.12 4.53 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 1.21 0.00 0.00 84 R 8.21 4.69 0.00 1.92 1.86 0.00 3.07 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 85 V 8.27 4.99 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 0.83 0.00 0.00 0.94 0.00 0.00 86 R 9.08 4.74 0.00 1.82 1.89 0.00 3.12 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 87 K 8.76 3.95 0.00 2.02 2.09 0.00 1.83 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.63 7.81 88 K 8.66 3.94 0.00 2.13 2.07 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.51 7.81 89 F 9.04 3.93 0.00 3.13 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 90 L 7.52 4.37 0.00 1.69 1.63 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.59 4.65 0.00 1.92 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 2.14 2.21 0.00 92 N 8.18 5.17 0.00 2.67 2.66 0.00 0.00 7.09 7.98 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 93 G 8.31 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 0.00 0.00 0.00 0.00 94 K 8.65 5.41 0.00 1.91 2.02 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.50 7.81 95 K 7.90 4.41 0.00 1.84 1.67 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.79 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.25 1.37 7.81 96 I 8.47 4.18 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 0.71 1.00 0.00 0.00 97 R 8.24 3.79 0.00 1.78 1.94 0.00 3.39 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 98 V 8.24 3.24 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 99 C 7.07 4.86 0.00 3.00 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 0.00 100 A 8.72 4.10 1.21 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 0.00 101 K 8.20 3.83 0.00 1.88 1.86 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.37 7.81 *102 C 8.40 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.