NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 N 3.1765 8.2833 117.7446 50.3850 38.4861 174.1927 37 P 3.9778 0.0000 0.0000 64.7305 32.0876 177.0464 38 K 3.7703 8.6775 118.7092 59.6995 32.7597 178.7949 39 R 3.9994 7.4477 115.4027 58.1860 29.9589 177.4233 40 S 4.6295 7.9266 109.6980 57.6125 64.3223 174.0832 41 S 4.3604 7.7777 115.7860 57.0643 65.4374 173.6360 42 D 4.3312 8.4363 127.3627 57.0622 41.2927 177.8721 43 Y 4.4497 7.7398 117.1312 61.2973 38.1778 178.0726 44 Y 2.0000 7.6146 117.0203 58.3305 37.6262 177.4130 45 N 4.1426 7.1633 117.2230 53.5547 40.1831 175.2739 46 R 4.2765 7.2277 114.3120 56.0663 31.1790 176.5174 47 S 4.3179 7.7049 113.2645 58.2064 62.9669 174.1730 48 T 4.1470 8.4711 114.6165 63.2325 69.5852 173.9827 49 S 5.1727 7.8510 117.0673 55.9488 61.4446 172.3253 50 P 4.6551 0.0000 0.0000 63.5924 32.7684 176.8028 51 W 5.7071 8.2025 117.6490 55.1697 31.5576 174.1215 52 N 5.0692 9.4829 118.6853 52.0614 40.9759 173.7670 53 L 5.3980 8.3826 119.9258 53.5607 44.3834 175.6483 54 H 4.9654 9.3803 121.3516 54.0564 30.9984 174.4601 55 R 3.6116 8.5491 123.3485 56.0962 31.2090 175.1437 56 N 4.8214 7.8515 122.8404 52.1472 42.2636 172.9853 57 E 5.3384 8.2735 124.0565 53.4199 33.6925 176.3163 58 D 4.2464 8.3003 127.1434 54.5237 47.3800 178.4833 *61 R 4.1950 8.8046 115.1844 56.1225 31.9804 171.5922 62 Y 4.8021 8.2453 125.1637 54.8606 41.7087 172.7632 63 P 3.3198 0.0000 0.0000 62.3674 32.0694 176.5346 64 S 4.3095 8.4414 116.8339 60.0059 63.7246 173.5517 65 V 4.7130 7.5495 119.4079 60.7145 33.4030 174.8695 66 I 4.5731 8.2050 121.4767 58.8321 40.4587 174.3905 67 W 4.9245 8.9370 125.6149 55.4759 30.1889 175.6366 68 E 4.5810 8.9977 124.8977 55.4728 30.8854 175.3351 69 A 5.2031 8.2278 124.3806 50.6609 21.0836 177.0311 70 K 4.4272 9.2508 122.2730 54.6798 35.3056 174.8420 71 C 4.7148 9.1434 125.0592 57.9135 40.0533 174.9780 72 R 3.9236 9.2081 123.1901 58.6798 29.9676 176.5925 73 H 5.1104 7.6737 112.0905 53.5949 32.9150 173.2287 74 L 4.1257 8.6692 123.3779 58.4853 43.0349 177.4376 75 G 3.7765 7.7386 103.7536 45.7058 0.0000 172.8424 76 C 5.3520 8.3449 116.3696 54.7601 43.3433 173.9015 77 I 4.5784 8.8521 117.3022 60.6534 38.4069 175.5506 78 N 4.7402 8.9062 123.9637 50.8266 39.4406 175.2919 79 A 4.0707 8.5284 120.0611 54.2515 18.3436 177.6024 80 D 4.7236 8.4999 114.2926 53.5704 42.9581 177.4432 81 G 4.0071 8.6556 106.9322 44.9591 0.0000 172.9236 82 N 4.8350 7.9647 116.6405 51.5009 41.1736 174.4884 83 V 3.9035 8.2000 121.4922 62.9205 32.4300 174.5717 84 D 4.7545 9.0245 129.1504 52.6921 42.7676 175.9400 85 Y 4.4028 8.5614 122.6764 58.4167 38.0526 176.0005 86 H 4.5792 8.9155 116.8177 57.1993 28.9578 174.3448 87 M 5.1032 7.5419 118.4769 54.0346 37.2050 173.1598 88 N 5.3664 8.8647 115.8157 51.7789 43.0776 174.1965 89 S 5.0485 8.9285 118.8369 58.0858 64.0075 174.2989 90 V 4.6735 8.7084 117.4206 58.6273 35.7175 173.3823 91 P 4.6332 0.0000 0.0000 62.9213 32.5315 175.6283 92 I 4.2350 8.9197 124.1955 60.2538 38.4439 174.7928 93 Q 4.9162 8.5534 126.4019 54.6954 30.5314 175.0892 94 Q 4.4828 9.1943 123.6343 54.1667 32.4955 173.7907 95 E 4.6415 8.9448 127.7166 55.8902 30.1004 175.0173 96 I 4.6280 8.4442 128.4225 58.9947 40.8167 174.0748 97 L 4.8959 8.4400 128.6433 55.2976 41.5413 176.2284 98 V 4.8200 9.3484 119.4007 60.0101 35.2961 173.9324 99 L 5.1539 7.6877 122.7878 53.0844 44.8415 178.4160 *111 R 4.3387 8.2659 122.6592 56.5793 33.0322 173.9109 112 L 4.5118 8.5461 117.3871 54.0133 42.8966 175.7310 113 E 4.8494 8.6662 121.5813 54.4716 34.0827 174.2816 114 K 5.4108 8.7916 123.4931 55.1826 34.4183 175.4074 115 I 4.6858 8.6295 117.9153 58.8448 41.4810 174.1012 116 L 5.0841 8.4048 122.7439 53.3978 43.0949 176.4132 117 V 4.5138 8.5459 117.2128 59.2353 35.8298 175.3177 118 S 4.5415 8.5281 120.5311 58.7356 63.0557 175.3583 119 V 3.6436 8.8256 126.1107 63.4521 31.8932 175.6699 120 G 2.3318 6.3768 106.2955 45.2825 0.0000 171.2662 121 C 5.3122 6.3027 115.5199 55.3204 44.2174 173.2977 122 T 4.7184 8.7008 115.2106 60.5002 71.2421 171.3401 123 C 5.3046 8.6993 123.8333 54.9977 43.9211 172.9888 124 V 4.5743 8.5987 119.8724 60.0272 33.6928 174.9045 125 T 5.0411 8.2723 118.0765 59.6367 69.6862 172.2787 126 P 4.4223 0.0000 0.0000 64.8897 32.0155 176.7834 127 I 4.0453 7.2312 120.6038 60.9945 37.6843 176.2569 128 V 3.9980 8.1010 123.1930 62.3023 30.6970 173.3864 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 36 N 8.28 3.18 0.00 2.67 2.82 0.00 0.00 6.73 6.88 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 37 P 0.00 3.98 0.00 2.09 2.15 0.00 2.48 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 38 K 8.68 3.77 0.00 1.50 1.69 0.00 1.41 0.00 0.00 1.23 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.91 7.81 39 R 7.45 4.00 0.00 1.72 1.92 0.00 3.03 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 40 S 7.93 4.63 0.00 3.89 3.86 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 41 S 7.78 4.36 0.00 3.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.44 4.33 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.74 4.45 0.00 3.21 3.07 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 0.00 0.00 0.00 44 Y 7.61 2.00 0.00 1.82 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.16 4.14 0.00 1.44 2.27 0.00 0.00 7.13 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.23 4.28 0.00 1.82 1.94 0.00 3.18 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 47 S 7.70 4.32 0.00 4.01 3.77 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 48 T 8.47 4.15 4.38 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 1.20 0.00 0.00 49 S 7.85 5.17 0.00 3.98 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 50 P 0.00 4.66 0.00 2.09 2.14 0.00 3.79 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 51 W 8.20 5.71 0.00 3.35 3.23 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 52 N 9.48 5.07 0.00 2.76 2.84 0.00 0.00 7.08 6.34 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 53 L 8.38 5.40 0.00 1.41 1.73 0.59 1.31 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 54 H 9.38 4.97 0.00 3.07 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.55 3.61 0.00 1.80 1.69 0.00 3.21 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 0.00 56 N 7.85 4.82 0.00 2.83 2.66 0.00 0.00 6.87 7.53 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 57 E 8.27 5.34 0.00 1.73 1.73 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 2.06 1.87 0.00 58 D 8.30 4.25 0.00 2.54 1.61 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 *61 R 8.80 4.19 0.00 2.09 1.79 0.00 3.14 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 62 Y 8.25 4.80 0.00 3.13 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 63 P 0.00 3.32 0.00 1.83 1.50 0.00 3.77 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 64 S 8.44 4.31 0.00 3.99 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 65 V 7.55 4.71 1.82 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 -0.07 0.00 0.00 0.77 0.00 0.00 66 I 8.20 4.57 1.85 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 1.12 0.69 0.86 0.00 0.00 67 W 8.94 4.92 0.00 3.36 3.07 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 0.00 0.00 0.00 68 E 9.00 4.58 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 2.28 2.25 0.00 69 A 8.23 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.25 4.43 0.00 1.90 1.77 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.49 7.81 71 C 9.14 4.71 0.00 2.95 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 72 R 9.21 3.92 0.00 1.52 1.75 0.00 3.07 0.00 0.00 3.53 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 73 H 7.67 5.11 0.00 3.25 3.08 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.67 4.13 0.00 1.87 1.80 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.74 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 76 C 8.34 5.35 0.00 2.86 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 77 I 8.85 4.58 1.82 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 1.41 0.51 0.80 0.00 0.00 78 N 8.91 4.74 0.00 2.85 2.99 0.00 0.00 6.55 7.40 0.00 0.00 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 A 8.53 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.72 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.66 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 82 N 7.96 4.83 0.00 2.65 2.73 0.00 0.00 6.71 7.68 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 83 V 8.20 3.90 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 0.13 0.00 0.00 0.73 0.00 0.00 84 D 9.02 4.75 0.00 2.67 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 85 Y 8.56 4.40 0.00 2.95 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 86 H 8.92 4.58 0.00 3.19 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.54 5.10 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 88 N 8.86 5.37 0.00 2.66 2.67 0.00 0.00 7.44 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 89 S 8.93 5.05 0.00 3.99 3.86 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 90 V 8.71 4.67 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 0.78 0.00 0.00 0.92 0.00 0.00 91 P 0.00 4.63 0.00 2.00 1.98 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 92 I 8.92 4.23 1.79 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 1.15 0.52 0.84 0.00 0.00 93 Q 8.55 4.92 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 94 Q 9.19 4.48 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 95 E 8.94 4.64 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 2.28 2.30 0.00 96 I 8.44 4.63 1.88 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 1.30 1.30 0.96 0.00 0.00 97 L 8.44 4.90 0.00 1.68 1.67 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 98 V 9.35 4.82 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 0.87 0.00 0.00 0.98 0.00 0.00 99 L 7.69 5.15 0.00 2.04 1.56 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *111 R 8.27 4.34 0.00 2.01 1.74 0.00 3.27 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 112 L 8.55 4.51 0.00 1.68 1.58 0.93 0.82 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 0.00 113 E 8.67 4.85 0.00 1.81 1.77 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 2.22 2.24 0.00 114 K 8.79 5.41 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.40 7.81 115 I 8.63 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 1.22 0.78 0.90 0.00 0.00 116 L 8.40 5.08 0.00 1.52 1.62 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.55 4.51 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 0.75 0.00 0.00 0.97 0.00 0.00 118 S 8.53 4.54 0.00 3.88 3.67 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 0.00 0.00 0.00 0.00 119 V 8.83 3.64 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 0.68 0.00 0.00 0.91 0.00 0.00 120 G 6.38 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 0.00 0.00 0.00 121 C 6.30 5.31 0.00 3.27 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 0.00 122 T 8.70 4.72 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 1.19 0.00 0.00 123 C 8.70 5.30 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 0.00 124 V 8.60 4.57 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 0.62 0.00 0.00 0.94 0.00 0.00 125 T 8.27 5.04 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 1.24 0.00 0.00 126 P 0.00 4.42 0.00 2.23 2.18 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 127 I 7.23 4.05 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.91 0.00 0.00 128 V 8.10 4.00 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 0.59 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.