NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 I 4.1747 8.0093 121.4563 60.3947 38.6880 175.2644 20 P 4.2371 0.0000 0.0000 61.6637 32.4478 175.5783 21 A 4.0432 8.6308 122.7516 55.5861 19.0501 181.4996 22 S 4.3706 8.0127 113.1785 60.4816 63.1116 175.8211 23 E 3.8046 7.8732 123.4171 59.7076 29.2757 178.5125 24 Q 4.2890 8.0223 115.6206 57.4832 28.9568 177.3159 25 E 4.3186 8.3602 119.8683 56.5461 30.0133 176.2264 26 T 3.9747 7.3716 117.1482 64.0557 69.8139 173.2354 27 L 4.9390 8.5677 125.8273 54.2269 43.5147 176.1477 28 V 4.9434 9.2998 115.6672 59.8692 36.8867 174.8917 29 R 5.1027 9.1677 122.3402 52.7042 32.0316 173.3878 30 P 4.7782 0.0000 0.0000 62.7431 32.1799 176.8171 31 K 4.2526 9.0239 123.2384 55.5178 33.3526 176.3922 32 P 4.2774 0.0000 0.0000 66.7798 31.1388 179.6870 33 L 4.0116 7.8290 120.3633 59.3325 40.8620 180.6882 34 L 4.0807 7.8071 120.7193 57.6886 42.0465 178.6325 35 L 3.8946 8.0924 120.6104 57.8614 41.8072 178.7506 36 K 3.8383 7.8743 118.4879 59.4142 32.2256 178.1118 37 L 3.9332 7.6924 120.3585 58.1670 42.1135 178.8598 38 L 3.8377 8.0679 119.5095 57.6316 41.2858 179.7128 39 K 3.9875 7.9901 118.0264 59.8528 32.5296 179.0857 40 S 4.2795 7.7587 114.2722 60.4298 62.8478 175.7985 41 V 4.1703 7.4814 114.7191 62.2299 33.3076 175.2794 *45 K 4.0748 7.7191 115.1260 56.9601 33.2261 174.3141 46 D 4.6952 8.2240 115.9757 55.6239 41.8260 176.6691 47 T 5.0702 7.3088 113.8491 61.9214 71.6544 173.2182 48 Y 5.1532 9.1705 122.5260 56.3582 43.1653 174.6930 49 T 4.6361 9.2650 111.3775 61.4538 70.2779 175.7357 50 M 4.0497 8.9816 122.7317 58.6433 32.1950 178.5434 51 K 3.9469 8.2114 119.9232 59.5097 32.2416 178.5836 52 E 3.8926 8.3275 118.7110 59.4250 29.4086 179.3624 53 V 3.5871 7.8304 118.1896 66.1795 31.5800 177.9945 54 L 3.9316 8.3158 118.9767 57.6128 41.3252 179.3177 55 F 3.9309 8.1952 120.5059 61.5737 39.3100 176.8745 56 Y 4.1329 8.1103 116.5671 60.9850 37.5478 178.4425 57 L 4.0623 8.2930 120.3034 57.7235 41.6344 179.8086 58 G 3.4431 7.9949 105.5847 47.7519 0.0000 175.5053 59 Q 3.7478 7.8620 122.3608 58.7982 29.0510 177.5707 60 Y 3.9819 8.3204 120.9087 60.8479 38.7625 178.1449 61 I 3.7177 8.1334 120.8766 64.8118 37.2265 178.4459 62 M 4.0887 8.2719 119.8573 58.4977 31.5902 178.9093 63 T 3.8492 7.9735 109.3103 64.5452 68.9757 175.7952 64 K 4.0749 7.7058 117.9625 54.9984 32.9223 176.7007 65 R 3.8043 7.5411 117.5620 57.3166 28.1532 176.8625 66 L 4.3400 8.2326 116.8531 55.5804 42.6760 176.5345 67 Y 5.0984 7.6245 119.2940 56.1607 40.4296 174.9942 *72 Q 4.0896 8.4011 123.1984 55.3929 30.9506 175.2450 73 H 4.0693 7.7818 112.3454 57.4372 26.0571 174.1796 74 I 4.7427 7.2925 117.7205 59.4220 40.0578 177.0592 75 V 4.1021 7.9832 127.0689 61.9470 32.9203 174.1067 76 Y 4.7057 8.9155 126.9426 56.1850 39.3021 175.1176 77 C 5.0737 9.0055 121.5858 57.9661 30.4980 176.8385 78 S 4.2598 8.7221 116.7439 61.4801 63.2099 173.4960 79 N 5.0997 7.9403 118.4464 52.4665 39.3040 173.2992 80 D 4.9276 7.6245 115.1546 51.3293 46.3269 173.8192 81 L 4.0561 8.6789 125.3847 58.5285 41.8708 179.1696 82 L 3.6962 8.6376 120.3307 58.0154 41.8932 179.2340 83 G 4.0211 7.9529 106.4166 46.8744 0.0000 175.1261 84 D 4.4068 7.8537 120.3145 57.1895 40.9437 178.6630 85 L 4.1757 7.9918 118.4566 57.8069 41.7480 179.1314 86 F 4.7259 8.4178 116.0388 57.6071 39.0923 176.8857 87 G 4.0099 8.5062 105.9188 45.9767 0.0000 173.5462 88 V 4.6563 7.4406 111.2876 58.6136 35.6387 174.5414 89 P 4.7798 0.0000 0.0000 65.2615 32.6030 175.5141 90 S 5.1159 7.9996 112.6850 57.9193 65.5767 173.7738 91 F 4.9244 7.9822 114.1076 55.8928 41.6436 172.9644 92 S 4.8637 8.7024 115.2516 57.8349 63.1164 175.3972 93 V 4.0434 8.5739 120.3410 63.4272 31.5137 177.4821 94 K 4.1624 7.8032 118.2764 58.1955 32.7298 177.7612 95 E 4.4205 7.9201 121.0869 55.3488 28.0402 176.6098 96 H 4.1549 8.1276 119.8671 58.6755 29.2778 177.3934 97 R 4.1220 8.0360 119.4968 59.2165 30.0078 179.0444 98 K 3.9066 7.9859 117.7392 59.4887 32.0667 179.2689 99 I 3.1579 7.6354 119.9346 64.3925 36.9527 178.0523 100 Y 4.1322 8.0561 117.8596 61.4267 37.5934 178.8584 101 T 4.0013 7.9968 116.5854 67.0747 68.3431 176.6100 102 M 3.8189 7.5252 119.2844 58.1202 31.9340 178.6979 103 I 3.8917 7.5447 120.0757 64.6359 37.1823 177.9556 104 Y 4.1014 8.3915 117.9656 61.2120 37.4975 178.6574 105 R 4.2734 7.8422 116.6043 57.7357 30.3145 176.7537 106 N 5.1553 8.2060 116.6659 52.5499 40.1036 173.7799 107 L 5.0483 7.8053 118.8480 54.9283 44.3512 174.6335 108 V 4.5163 8.5650 118.5162 60.9206 34.2961 174.7060 109 V 4.2764 8.5892 127.6504 62.7949 32.4680 175.7975 110 V 4.0641 8.6201 126.7854 63.0231 31.0328 175.2620 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 19 I 8.01 4.17 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.14 0.94 0.00 0.00 20 P 0.00 4.24 0.00 2.28 2.16 0.00 3.67 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 2.02 1.99 0.00 21 A 8.63 4.04 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 22 S 8.01 4.37 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 23 E 7.87 3.80 0.00 1.88 2.01 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 1.47 1.82 0.00 24 Q 8.02 4.29 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 25 E 8.36 4.32 0.00 2.10 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 0.00 2.31 2.35 0.00 26 T 7.37 3.97 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 1.29 0.00 0.00 27 L 8.57 4.94 0.00 1.63 1.60 0.93 0.95 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 28 V 9.30 4.94 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 0.80 0.00 0.00 1.03 0.00 0.00 29 R 9.17 5.10 0.00 1.83 1.89 0.00 3.17 0.00 0.00 3.28 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 30 P 0.00 4.78 0.00 1.97 1.96 0.00 4.13 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 31 K 9.02 4.25 0.00 1.71 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.48 7.81 32 P 0.00 4.28 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 33 L 7.83 4.01 0.00 1.65 1.67 0.92 0.43 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 34 L 7.81 4.08 0.00 1.71 1.80 0.80 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.09 3.89 0.00 2.01 1.69 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.87 3.84 0.00 1.86 2.00 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 37 L 7.69 3.93 0.00 1.52 1.68 -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.07 3.84 0.00 1.82 1.44 0.76 0.02 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 39 K 7.99 3.99 0.00 2.15 2.02 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.32 7.81 40 S 7.76 4.28 0.00 4.10 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 41 V 7.48 4.17 2.24 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 0.96 0.00 0.00 1.12 0.00 0.00 *45 K 7.72 4.07 0.00 1.64 1.75 0.00 1.31 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.21 7.81 46 D 8.22 4.70 0.00 2.67 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 47 T 7.31 5.07 4.15 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 1.24 0.00 0.00 48 Y 9.17 5.15 0.00 2.92 2.88 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 0.00 0.00 0.00 49 T 9.26 4.64 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 1.25 0.00 0.00 50 M 8.98 4.05 0.00 2.40 2.07 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.84 0.00 51 K 8.21 3.95 0.00 2.06 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 52 E 8.33 3.89 0.00 2.53 2.36 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 2.39 2.40 0.00 53 V 7.83 3.59 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 1.05 0.00 0.00 0.85 0.00 0.00 54 L 8.32 3.93 0.00 1.88 1.67 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.20 3.93 0.00 3.03 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 56 Y 8.11 4.13 0.00 2.99 2.88 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 0.00 0.00 0.00 57 L 8.29 4.06 0.00 1.85 1.70 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.99 3.44 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 0.00 0.00 0.00 0.00 59 Q 7.86 3.75 0.00 1.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 60 Y 8.32 3.98 0.00 3.14 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 61 I 8.13 3.72 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.78 0.88 0.00 0.00 62 M 8.27 4.09 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 63 T 7.97 3.85 4.17 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 1.25 0.00 0.00 64 K 7.71 4.07 0.00 1.49 1.65 0.00 0.73 0.00 0.00 0.86 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.13 0.94 7.81 65 R 7.54 3.80 0.00 1.91 1.95 0.00 3.12 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 66 L 8.23 4.34 0.00 1.72 1.88 0.97 0.92 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 67 Y 7.62 5.10 0.00 2.75 2.84 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 *72 Q 8.40 4.09 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 73 H 7.78 4.07 0.00 3.46 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.29 4.74 1.54 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 1.09 0.59 -0.04 0.00 0.00 75 V 7.98 4.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.69 0.00 0.00 76 Y 8.92 4.71 0.00 2.85 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 77 C 9.01 5.07 0.00 3.08 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 78 S 8.72 4.26 0.00 4.06 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 0.00 79 N 7.94 5.10 0.00 2.65 2.77 0.00 0.00 6.65 8.47 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 80 D 7.62 4.93 0.00 2.81 2.49 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 81 L 8.68 4.06 0.00 1.81 1.69 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.64 3.70 0.00 1.69 1.65 -0.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.95 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.85 4.41 0.00 2.87 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 85 L 7.99 4.18 0.00 1.73 1.81 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.42 4.73 0.00 2.99 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 87 G 8.51 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 0.00 0.00 0.00 88 V 7.44 4.66 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 1.09 0.00 0.00 1.22 0.00 0.00 89 P 0.00 4.78 0.00 2.20 2.37 0.00 3.81 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 2.13 2.02 0.00 90 S 8.00 5.12 0.00 3.51 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 91 F 7.98 4.92 0.00 3.17 3.18 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 92 S 8.70 4.86 0.00 3.96 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 93 V 8.57 4.04 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 0.59 0.00 0.00 1.09 0.00 0.00 94 K 7.80 4.16 0.00 2.03 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.28 7.81 95 E 7.92 4.42 0.00 2.28 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 2.32 2.31 0.00 96 H 8.13 4.15 0.00 3.20 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.04 4.12 0.00 1.89 2.03 0.00 3.16 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 1.80 1.81 0.00 98 K 7.99 3.91 0.00 2.01 1.76 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.10 7.81 99 I 7.64 3.16 1.67 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 1.00 0.49 0.58 0.00 0.00 100 Y 8.06 4.13 0.00 3.18 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 0.00 101 T 8.00 4.00 4.34 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 1.18 0.00 0.00 102 M 7.53 3.82 0.00 0.51 0.94 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 103 I 7.54 3.89 1.88 0.00 0.00 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 1.63 0.65 0.82 0.00 0.00 104 Y 8.39 4.10 0.00 3.27 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 0.00 105 R 7.84 4.27 0.00 1.75 2.00 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 106 N 8.21 5.16 0.00 2.89 2.81 0.00 0.00 6.39 7.29 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 0.00 107 L 7.81 5.05 0.00 1.67 1.62 0.95 0.86 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 0.00 108 V 8.57 4.52 2.12 0.00 0.00 0.00 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 0.96 0.00 0.00 109 V 8.59 4.28 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 0.90 0.00 0.00 1.16 0.00 0.00 110 V 8.62 4.06 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 0.79 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.