NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.3223 8.5445 116.7535 56.1018 31.2128 175.7315 14 K 4.1797 8.5571 114.3973 57.1485 32.5395 173.8281 15 K 4.3126 8.2646 118.0354 56.8491 33.0015 182.8577 16 I 4.3569 7.6545 115.1698 61.4631 37.2780 183.0007 17 E 4.2043 8.2304 117.5423 60.3572 29.8940 184.3516 18 N 5.1514 7.9737 118.2018 53.5311 37.8342 178.0709 19 I 4.5560 7.5404 119.2357 60.8959 38.3496 180.2923 20 V 3.8633 7.8606 118.1950 65.2310 31.7192 183.6220 21 T 4.2413 7.9307 112.1606 62.0554 68.1380 179.8312 22 K 4.5615 7.9743 128.0820 56.9029 34.6285 181.3202 23 I 3.9249 8.0463 117.8788 63.1924 35.8554 180.0248 24 D 5.0919 7.9176 121.7949 53.3752 41.2095 179.0494 25 K 4.8197 7.3486 132.5713 54.2093 32.9688 183.1596 26 K 4.1654 9.2796 129.3323 61.2463 30.9786 179.1286 27 K 4.1764 8.2309 124.9789 61.3897 31.6137 183.7224 *28 Y 4.2957 7.9491 124.1053 62.3232 36.6870 180.6461 29 I 4.1477 7.8008 122.8054 65.1930 35.2957 180.7330 *30 Y 4.4541 7.8197 122.5690 63.1166 36.9433 183.3029 31 D 4.4804 8.0479 125.6027 58.8287 39.8169 180.8962 32 N 4.7493 8.3773 123.0788 58.0896 37.3333 179.8890 33 M 4.8085 7.4130 118.3424 55.0742 30.9869 179.5259 34 K 4.7213 7.8745 122.2547 57.2083 37.6857 181.6348 35 K 4.1991 8.3436 122.3513 57.3029 31.6945 181.0588 36 L 4.8112 8.1721 117.8658 54.5013 42.3486 181.3835 37 L 4.1799 8.0575 122.4476 58.9078 41.1107 182.6980 38 N 4.8824 8.1671 117.3695 52.7451 37.4604 179.1266 39 E 4.1419 8.3431 119.1515 60.1745 29.8777 182.0459 40 I 4.6178 7.5204 109.9282 59.6304 38.4206 181.2917 41 A 3.9118 7.2714 123.7088 57.6375 18.4303 179.9582 42 E 4.0846 8.1251 112.8910 58.1600 30.7950 181.9920 43 I 3.6503 7.9224 116.7009 62.8097 36.2478 181.1179 44 E 4.5810 8.5005 115.6483 58.3041 32.6139 184.1933 45 K 4.1168 7.9307 126.5336 60.5128 31.2203 181.4807 46 D 4.8492 7.7933 124.4755 57.9761 39.6012 181.0984 47 K 4.4636 8.0863 123.9659 60.4371 32.1111 184.4130 48 T 4.3958 7.8944 115.8745 67.1000 68.7856 182.1683 49 S 4.5564 7.8406 122.5410 63.0618 61.9524 178.8679 50 L 4.3797 7.2791 122.2523 60.6077 40.8850 184.8962 51 E 4.4591 8.3545 121.3256 61.6174 29.6215 181.3166 52 E 4.5318 8.1021 117.8330 59.1885 30.2946 180.2376 53 V 4.5151 7.4963 121.5633 65.1980 32.9463 183.4170 54 K 4.4250 8.1070 124.6025 60.8675 31.1382 184.7568 55 N 4.7735 8.3182 121.3981 57.7551 37.3275 180.1170 56 I 4.1260 7.5395 122.0970 66.4804 35.6324 184.0718 57 N 4.6330 8.1289 122.7594 58.0972 37.6944 179.9858 58 M 4.3695 8.2201 124.5007 60.4262 31.4282 182.4337 59 S 4.4408 7.9846 121.2429 64.1276 62.5818 179.2081 *60 Y 4.3729 8.2063 124.9006 61.5148 36.4029 180.7177 61 G 3.8140 8.7210 108.9672 48.6958 0.0000 176.5939 62 K 4.2398 8.0758 128.2554 58.7380 31.4080 181.7738 63 S 4.5179 7.9032 119.8067 64.5456 62.6466 182.3978 64 L 4.4399 8.0999 128.5500 59.8351 40.6173 181.6396 65 N 4.6982 8.7979 121.8778 57.8569 37.5397 181.4309 66 K 4.3202 7.8636 126.3116 60.5251 31.2176 184.0224 67 L 4.3562 7.8015 124.6791 60.0509 40.6165 183.3893 *68 F 4.5904 7.9961 120.8602 61.4403 38.3268 180.8832 69 L 4.5149 7.9407 121.4022 59.4956 40.9390 184.1170 70 E 4.7290 8.0213 118.0237 60.1787 29.9269 182.7762 71 K 4.3777 7.5793 119.9459 55.7674 31.3506 181.4905 72 I 4.3031 8.3189 123.5787 60.9560 38.4721 174.4868 *76 K 4.4565 8.2105 122.7521 54.9393 33.6405 179.7287 77 K 4.2100 8.2721 122.0253 56.9837 32.0920 180.4431 78 K 4.4967 7.9922 121.2406 55.5296 33.5252 181.1853 79 S 4.2365 8.4788 115.0349 62.1581 62.0768 181.1538 80 E 4.2873 8.2548 112.9590 57.9894 29.1295 183.2911 81 N 4.5083 8.2476 120.2999 57.5404 37.6839 181.7591 82 M 4.5464 7.8302 121.2655 54.3658 29.4747 177.4272 83 I 4.4665 7.8527 121.8777 61.0582 38.9898 178.5008 84 K 4.4958 8.0264 125.9681 57.7151 31.9623 181.0759 85 S 4.3730 8.0718 121.6197 65.1426 61.9703 182.1082 86 M 4.4339 8.1069 125.7845 60.0698 30.9467 180.5068 87 E 4.5829 7.8244 118.7855 59.4924 29.9495 182.1207 88 K 4.2664 7.9869 126.8194 61.6701 31.7977 184.5466 *89 Y 4.2958 7.7423 124.2709 62.5975 36.4770 181.0878 90 I 3.6385 7.2010 122.5298 65.1289 35.3134 180.9473 91 K 4.5663 8.1576 125.0115 60.1758 32.0804 184.2623 92 D 4.7276 8.0004 124.4258 58.8686 39.7784 181.1570 93 L 4.1612 8.9339 123.8280 57.9785 41.0838 181.2801 94 D 4.8170 7.8461 115.8624 54.0951 39.3263 179.1747 95 E 4.6051 8.0121 119.2352 58.3698 33.1290 182.6463 96 I 4.0105 8.4332 123.2031 65.4609 35.2920 181.1472 97 K 4.7434 8.3226 125.0561 57.6867 31.5103 180.3520 98 E 4.7395 7.8199 121.5273 60.0033 30.5157 180.6377 99 Q 4.5269 8.5494 118.5539 57.7842 29.3453 184.6311 100 S 4.2396 8.1384 113.0779 61.2395 62.4576 179.8686 101 P 4.7028 0.0000 0.0000 63.5652 30.3934 177.7292 102 K 4.1621 7.6611 120.6255 55.8037 32.1839 179.5016 103 A 3.8960 7.8563 122.3956 53.5291 18.0177 178.0362 104 E 4.2764 8.5118 118.2768 56.4605 30.8612 171.6277 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 13 E 8.54 4.32 0.00 2.01 1.80 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 2.13 1.88 0.00 14 K 8.56 4.18 0.00 1.75 1.83 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.07 7.81 15 K 8.26 4.31 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.00 7.81 16 I 7.65 4.36 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 1.18 0.91 0.00 0.00 17 E 8.23 4.20 0.00 1.89 1.97 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 2.31 1.87 0.00 18 N 7.97 5.15 0.00 2.76 2.72 0.00 0.00 6.78 7.88 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 19 I 7.54 4.56 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 1.16 1.25 0.91 0.00 0.00 20 V 7.86 3.86 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 0.67 0.00 0.00 0.93 0.00 0.00 21 T 7.93 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 1.21 0.00 0.00 22 K 7.97 4.56 0.00 1.74 1.68 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.20 7.81 23 I 8.05 3.92 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 1.10 0.91 0.00 0.00 24 D 7.92 5.09 0.00 2.68 2.54 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 25 K 7.35 4.82 0.00 1.60 0.74 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 0.98 7.81 26 K 9.28 4.17 0.00 1.75 1.86 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.08 7.81 27 K 8.23 4.18 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.09 7.81 *28 Y 7.95 4.30 0.00 2.31 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 0.00 0.00 0.00 0.00 29 I 7.80 4.15 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 1.38 1.10 0.91 0.00 0.00 *30 Y 7.82 4.45 0.00 2.35 2.32 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 31 D 8.05 4.48 0.00 2.64 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 32 N 8.38 4.75 0.00 2.74 2.85 0.00 0.00 7.14 7.82 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 33 M 7.41 4.81 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 34 K 7.87 4.72 0.00 1.71 1.66 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.00 7.81 35 K 8.34 4.20 0.00 1.79 1.76 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.25 7.81 36 L 8.17 4.81 0.00 1.59 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.06 4.18 0.00 1.66 1.61 0.92 0.92 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 38 N 8.17 4.88 0.00 2.64 2.80 0.00 0.00 6.98 7.66 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 39 E 8.34 4.14 0.00 1.98 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 0.00 2.24 1.90 0.00 40 I 7.52 4.62 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 1.35 0.58 0.91 0.00 0.00 41 A 7.27 3.91 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 42 E 8.13 4.08 0.00 1.91 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 2.30 1.87 0.00 43 I 7.92 3.65 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 1.10 0.91 0.00 0.00 44 E 8.50 4.58 0.00 1.85 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 2.12 2.07 0.00 45 K 7.93 4.12 0.00 1.89 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 46 D 7.79 4.85 0.00 2.50 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 47 K 8.09 4.46 0.00 1.85 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.07 7.81 48 T 7.89 4.40 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 49 S 7.84 4.56 0.00 3.78 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 50 L 7.28 4.38 0.00 1.78 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.35 4.46 0.00 1.99 1.98 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 2.24 2.19 0.00 52 E 8.10 4.53 0.00 2.06 1.86 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 2.23 1.94 0.00 53 V 7.50 4.52 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 0.74 0.00 0.00 0.93 0.00 0.00 54 K 8.11 4.43 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 55 N 8.32 4.77 0.00 2.72 2.86 0.00 0.00 7.04 7.59 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 56 I 7.54 4.13 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 1.38 0.54 0.91 0.00 0.00 57 N 8.13 4.63 0.00 2.72 2.86 0.00 0.00 6.81 7.66 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 58 M 8.22 4.37 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 59 S 7.98 4.44 0.00 3.75 3.89 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 0.00 0.00 0.00 *60 Y 8.21 4.37 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.08 4.24 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 63 S 7.90 4.52 0.00 3.72 3.80 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 64 L 8.10 4.44 0.00 1.66 1.70 0.92 0.50 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 65 N 8.80 4.70 0.00 2.69 2.85 0.00 0.00 7.06 7.08 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 66 K 7.86 4.32 0.00 1.76 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 67 L 7.80 4.36 0.00 1.60 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *68 F 8.00 4.59 0.00 2.37 2.23 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 69 L 7.94 4.51 0.00 1.75 1.60 0.92 0.74 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 70 E 8.02 4.73 0.00 2.09 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 2.24 2.19 0.00 71 K 7.58 4.38 0.00 1.81 1.68 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.25 7.81 72 I 8.32 4.30 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 1.24 0.91 0.00 0.00 *76 K 8.21 4.46 0.00 1.79 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 77 K 8.27 4.21 0.00 1.77 1.75 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 78 K 7.99 4.50 0.00 1.65 1.81 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 0.97 7.81 79 S 8.48 4.24 0.00 3.62 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 80 E 8.25 4.29 0.00 1.98 1.86 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 2.23 1.87 0.00 81 N 8.25 4.51 0.00 2.75 2.77 0.00 0.00 6.80 7.21 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 82 M 7.83 4.55 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 83 I 7.85 4.47 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 1.23 0.91 0.00 0.00 84 K 8.03 4.50 0.00 1.75 1.82 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.06 7.81 85 S 8.07 4.37 0.00 3.73 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 86 M 8.11 4.43 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.17 0.00 87 E 7.82 4.58 0.00 2.07 1.97 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 2.24 2.19 0.00 88 K 7.99 4.27 0.00 1.80 1.84 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *89 Y 7.74 4.30 0.00 2.32 2.35 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 90 I 7.20 3.64 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 1.38 1.10 0.91 0.00 0.00 91 K 8.16 4.57 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.31 7.81 92 D 8.00 4.73 0.00 2.68 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 93 L 8.93 4.16 0.00 1.52 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.85 4.82 0.00 2.74 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 95 E 8.01 4.61 0.00 1.83 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 2.19 1.83 0.00 96 I 8.43 4.01 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 1.38 0.54 0.91 0.00 0.00 97 K 8.32 4.74 0.00 1.81 1.71 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 98 E 7.82 4.74 0.00 2.01 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 2.18 2.17 0.00 99 Q 8.55 4.53 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 100 S 8.14 4.24 0.00 3.65 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 0.00 101 P 0.00 4.70 0.00 2.17 2.16 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 102 K 7.66 4.16 0.00 1.74 1.75 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.25 7.81 103 A 7.86 3.90 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 0.00 104 E 8.51 4.28 0.00 1.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.