NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2967 8.1849 120.6262 54.1963 43.1759 176.3207 2 K 4.2899 8.5302 123.3180 56.0280 33.6857 174.2892 3 K 5.0134 10.3798 125.1759 55.1667 34.7777 175.2779 4 I 4.9437 8.7940 125.2325 59.3484 40.7916 173.9916 5 L 5.0138 8.8093 129.0255 53.5193 44.2170 174.8136 6 I 4.7801 8.8387 127.5845 59.7879 39.6354 174.7277 7 I 4.6878 8.7946 128.0297 58.9589 39.0022 174.1408 8 D 4.7379 8.6605 126.7690 52.9091 44.1788 176.0147 9 Q 4.1362 8.9009 126.9664 58.4716 29.5778 176.5758 10 Q 4.2346 8.6662 118.6729 55.2297 29.2650 176.3219 11 D 4.3747 8.7825 125.8665 57.4767 41.0672 178.3428 12 F 4.0158 8.3706 120.4010 61.6722 39.3271 177.0495 13 S 4.0800 8.2007 112.0152 61.1888 62.3103 175.9168 14 R 3.8891 8.2680 121.8331 59.5719 29.9057 178.6047 15 I 3.7024 8.3231 119.9816 64.0912 37.1400 177.9097 16 E 3.7076 7.8250 120.1821 59.3848 29.4687 178.8345 17 L 4.1242 7.9870 120.1640 57.7300 42.0614 178.8650 18 K 3.9227 8.1644 119.7614 59.7513 32.0557 178.6637 19 N 4.3525 8.5455 115.4548 56.1037 38.4154 176.9855 20 F 4.4388 7.8703 121.1954 61.1677 39.8847 176.7687 21 L 4.1714 8.0556 117.2479 56.2535 40.3631 178.5682 22 D 4.4125 8.2540 120.0632 57.4362 40.5107 178.7979 23 S 4.3056 7.9598 113.1138 60.5330 63.1333 174.4781 24 E 4.3974 7.5107 118.3099 55.5069 31.3220 174.4521 25 Y 4.8197 7.9339 115.1301 55.9656 42.7285 174.9598 26 L 4.3756 8.9636 123.6697 54.2663 42.8676 175.2335 27 V 4.6713 8.3114 126.9617 61.7345 32.8120 174.9539 28 I 4.6709 8.9129 128.6783 59.6040 40.1526 174.3294 29 E 5.3120 8.7423 124.1531 54.7779 32.1511 175.4330 30 S 4.9202 8.8968 116.5336 57.0251 66.5454 174.3331 31 K 4.5909 9.3137 119.8362 55.4090 33.6535 174.8918 32 N 4.7835 7.4926 113.9616 51.4394 39.9576 174.5116 33 E 3.8612 8.8631 117.6065 59.5104 29.7159 178.3424 34 K 3.8419 8.0655 119.0078 59.6565 32.1140 178.3127 35 E 3.9118 8.1223 117.7970 59.3783 29.5230 178.7630 36 A 3.9800 8.2067 121.0699 55.4904 18.4524 179.7323 37 L 3.9263 8.2459 117.5266 57.7799 41.6759 179.7752 38 E 3.8296 7.9530 118.2309 59.4618 29.3829 179.2426 39 Q 3.9350 8.3058 118.4021 59.0368 28.7029 179.0096 40 I 3.6364 7.8054 120.6967 64.6375 36.9350 178.2984 41 D 4.1484 7.6258 117.8667 57.0500 40.6458 177.7408 42 H 4.7456 7.7348 114.7816 56.5235 29.4813 175.4702 43 H 4.8766 8.2262 115.0245 55.0719 30.7491 173.7416 44 H 4.0222 8.1384 113.5256 55.9529 25.9869 172.1985 45 P 4.4890 0.0000 0.0000 63.0652 32.1538 176.9038 46 D 4.7493 8.6193 118.2385 55.1244 41.6673 176.5822 47 L 4.5533 7.3510 118.6306 53.9346 45.8135 173.3799 48 V 4.7535 8.5453 124.4484 61.1308 34.7946 174.0478 49 I 4.7487 8.7741 129.0732 59.5755 39.4135 174.2127 50 L 4.9743 8.8015 130.4813 53.4824 44.2058 175.6416 51 D 5.3767 8.4558 127.8230 51.9868 43.6911 175.0515 *53 D 4.3758 8.0756 113.1671 54.7374 42.0978 175.6117 *61 N 4.7674 7.7932 119.3264 53.3360 41.0151 177.2119 62 L 3.8357 8.0566 117.6159 58.4684 42.3817 178.4976 63 C 4.2640 8.0054 115.9017 62.9727 27.9913 175.9444 64 L 3.9902 7.8927 118.4933 57.6347 41.3396 178.8426 65 K 3.9656 8.5397 119.2553 60.3485 32.5140 177.3336 66 L 4.3383 7.8602 126.6215 54.4835 40.5042 178.9762 *75 V 4.1162 8.2456 128.7906 61.7171 32.2331 173.8439 76 P 4.6050 0.0000 0.0000 62.5156 33.0591 174.9330 77 L 4.9897 8.8456 124.6630 53.5511 44.3762 174.8078 78 I 4.5644 8.7763 128.3222 59.7106 39.2208 174.7735 79 L 5.0739 8.5926 127.8072 53.3481 43.6077 175.5180 80 L 5.1243 8.7915 123.3067 52.8751 44.7517 175.6336 81 F 4.9461 8.0123 117.3483 55.6767 41.8853 174.8305 82 S 4.4538 8.2350 111.3414 58.9133 62.6688 174.3105 *97 A 4.0040 7.6825 122.9490 52.0842 19.1670 177.1235 98 D 4.5673 8.3984 122.5411 56.7642 41.6660 175.8275 99 D 4.6297 7.3091 116.1820 53.4098 45.0159 173.3356 100 Y 5.4803 8.3084 118.0132 56.4290 42.3132 175.0530 101 L 4.6884 8.8056 122.5832 53.2817 46.0464 175.4552 102 T 3.9689 8.2551 114.5303 60.6240 70.0933 174.4447 103 K 4.6637 8.7884 125.3320 55.0201 33.0983 175.4568 104 P 4.5462 0.0000 0.0000 62.3447 32.1018 175.7648 105 F 4.9149 7.6197 114.4499 53.8614 40.7134 174.7600 106 N 4.2501 8.6717 121.2694 53.8175 40.2186 176.1708 107 R 3.7702 8.2583 126.8002 59.4133 30.2783 178.8341 108 N 4.5293 8.1628 115.8440 56.4473 38.4631 176.7863 109 D 4.4009 8.1301 119.0508 57.0249 41.2956 177.9004 110 L 4.0005 7.7762 120.7421 58.2740 42.1636 178.9528 111 L 4.1228 8.2699 118.9411 57.7432 41.4558 179.6326 112 S 4.1111 8.0904 113.0968 61.6010 62.4757 176.4220 113 R 4.0270 8.3202 121.0543 59.1897 29.7478 179.1334 114 I 3.6061 8.1284 119.9046 64.4059 37.1411 178.0261 115 E 4.0761 8.3478 119.3141 59.8014 29.4024 179.6910 116 I 3.7155 8.1843 119.8447 64.7782 36.9461 178.2449 117 H 4.0930 8.5146 116.2316 58.7068 28.8013 177.6938 118 L 4.1289 8.1631 120.6973 57.8820 41.5743 179.3043 119 R 3.8994 7.8698 117.9934 60.0537 29.8817 178.7769 120 T 3.9033 7.5241 113.4940 67.0821 68.6424 175.7647 121 Q 4.2645 7.8308 116.3474 56.7736 29.0707 175.8688 122 N 4.5277 8.4189 123.2210 53.5230 38.5488 174.7124 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 L 8.18 4.30 0.00 1.64 1.69 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.53 4.29 0.00 2.16 1.87 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.63 7.81 3 K 10.38 5.01 0.00 1.68 1.73 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 4 I 8.79 4.94 1.78 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.46 0.84 0.00 0.00 5 L 8.81 5.01 0.00 1.74 1.49 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.84 4.78 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.92 0.00 0.00 7 I 8.79 4.69 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.56 0.91 0.00 0.00 8 D 8.66 4.74 0.00 2.80 2.47 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 9 Q 8.90 4.14 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 10 Q 8.67 4.23 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 11 D 8.78 4.37 0.00 2.76 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 12 F 8.37 4.02 0.00 3.16 3.12 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 0.00 0.00 0.00 0.00 13 S 8.20 4.08 0.00 4.06 4.22 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 14 R 8.27 3.89 0.00 2.19 2.07 0.00 3.25 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 I 8.32 3.70 1.75 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 1.64 0.78 0.86 0.00 0.00 16 E 7.82 3.71 0.00 1.82 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 2.12 2.23 0.00 17 L 7.99 4.12 0.00 1.90 1.70 1.17 0.17 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 18 K 8.16 3.92 0.00 2.01 2.00 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.29 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.64 7.81 19 N 8.55 4.35 0.00 2.70 2.90 0.00 0.00 7.09 7.39 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 20 F 7.87 4.44 0.00 3.07 3.35 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 21 L 8.06 4.17 0.00 1.81 1.78 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.25 4.41 0.00 2.86 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 23 S 7.96 4.31 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.51 4.40 0.00 1.69 1.34 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 2.03 2.06 0.00 25 Y 7.93 4.82 0.00 2.87 2.89 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 26 L 8.96 4.38 0.00 1.79 1.60 0.92 1.21 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 27 V 8.31 4.67 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 0.87 0.00 0.00 0.98 0.00 0.00 28 I 8.91 4.67 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 1.26 0.53 0.97 0.00 0.00 29 E 8.74 5.31 0.00 1.82 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 2.21 2.27 0.00 30 S 8.90 4.92 0.00 3.92 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 31 K 9.31 4.59 0.00 1.80 1.78 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.33 1.54 7.81 32 N 7.49 4.78 0.00 2.90 2.90 0.00 0.00 5.88 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 33 E 8.86 3.86 0.00 2.05 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 2.37 2.36 0.00 34 K 8.07 3.84 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.61 1.54 7.81 35 E 8.12 3.91 0.00 2.05 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 2.40 2.38 0.00 36 A 8.21 3.98 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 37 L 8.25 3.93 0.00 1.81 1.70 0.91 0.92 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 38 E 7.95 3.83 0.00 2.22 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 2.32 2.62 0.00 39 Q 8.31 3.94 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 40 I 7.81 3.64 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.86 0.00 0.00 41 D 7.63 4.15 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.73 4.75 0.00 2.97 3.25 0.00 5.59 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.23 4.88 0.00 3.22 3.27 0.00 5.80 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.14 4.02 0.00 3.19 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.49 0.00 2.33 2.07 0.00 3.74 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 1.98 1.98 0.00 46 D 8.62 4.75 0.00 2.64 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 47 L 7.35 4.55 0.00 1.61 1.33 0.82 0.66 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 48 V 8.55 4.75 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 0.72 0.00 0.00 0.90 0.00 0.00 49 I 8.77 4.75 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.45 0.81 0.00 0.00 50 L 8.80 4.97 0.00 1.69 1.47 0.98 0.86 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 51 D 8.46 5.38 0.00 2.73 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 *53 D 8.08 4.38 0.00 2.88 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 *61 N 7.79 4.77 0.00 2.77 2.89 0.00 0.00 6.59 6.74 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 62 L 8.06 3.84 0.00 1.61 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.01 4.26 0.00 3.02 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 64 L 7.89 3.99 0.00 1.75 1.73 0.93 0.83 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 65 K 8.54 3.97 0.00 1.83 2.13 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.56 7.81 66 L 7.86 4.34 0.00 1.78 1.35 0.90 0.89 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 *75 V 8.25 4.12 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 0.71 0.00 0.00 0.91 0.00 0.00 76 P 0.00 4.61 0.00 2.05 2.25 0.00 3.86 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 2.02 1.97 0.00 77 L 8.85 4.99 0.00 1.67 1.45 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.78 4.56 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.38 0.74 0.00 0.00 79 L 8.59 5.07 0.00 1.76 1.89 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.79 5.12 0.00 1.51 1.42 0.52 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.01 4.95 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.45 0.00 4.05 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 *97 A 7.68 4.00 0.96 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 0.00 0.00 98 D 8.40 4.57 0.00 2.49 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 99 D 7.31 4.63 0.00 2.54 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 0.00 0.00 0.00 0.00 100 Y 8.31 5.48 0.00 3.04 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 0.00 101 L 8.81 4.69 0.00 1.23 1.18 0.84 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.26 3.97 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 1.08 0.00 0.00 103 K 8.79 4.66 0.00 1.65 1.88 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.49 7.81 104 P 0.00 4.55 0.00 1.99 1.89 0.00 3.62 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 2.00 2.06 0.00 105 F 7.62 4.91 0.00 3.06 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 0.00 106 N 8.67 4.25 0.00 2.80 2.77 0.00 0.00 7.16 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 0.00 107 R 8.26 3.77 0.00 1.50 0.97 0.00 2.22 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.00 108 N 8.16 4.53 0.00 2.77 2.94 0.00 0.00 6.75 8.08 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 0.00 109 D 8.13 4.40 0.00 2.84 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 0.00 110 L 7.78 4.00 0.00 2.07 2.13 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.27 4.12 0.00 2.11 2.02 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.09 4.11 0.00 4.04 4.12 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 0.00 0.00 0.00 0.00 113 R 8.32 4.03 0.00 1.91 2.03 0.00 3.20 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 114 I 8.13 3.61 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.54 0.00 0.00 115 E 8.35 4.08 0.00 2.25 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 2.46 2.67 0.00 116 I 8.18 3.72 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.88 0.00 0.00 117 H 8.51 4.09 0.00 3.28 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.16 4.13 0.00 1.90 1.76 1.00 0.78 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 0.00 119 R 7.87 3.90 0.00 2.01 2.02 0.00 3.17 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 120 T 7.52 3.90 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 1.20 0.00 0.00 121 Q 7.83 4.26 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 122 N 8.42 4.53 0.00 2.82 2.74 0.00 0.00 6.78 7.46 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 * Residues marked with a * may have inaccurate shift predictions.