NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6779 8.2827 119.2044 53.8006 41.5200 176.0426 4 R 3.5411 7.8071 117.3756 58.8593 29.9729 177.7823 5 I 3.8922 8.0178 119.9925 65.3406 35.6435 179.4876 6 E 4.1834 8.0210 120.3366 58.9378 29.7009 178.1553 7 L 3.9600 8.6115 120.2491 58.0214 41.5666 179.5871 8 S 4.0708 8.9888 115.0366 61.4229 62.9133 176.2657 9 R 3.8467 7.6101 122.1841 58.7833 29.7268 178.2605 10 L 3.9173 8.1720 118.4178 58.0439 41.4988 179.3384 11 I 3.6571 7.8942 118.7605 64.5356 37.2702 178.5379 12 G 3.6501 8.4205 106.4588 47.8302 0.0000 175.2858 13 L 3.8913 8.3638 124.1638 57.8804 41.3978 179.0752 14 L 3.8550 8.7514 120.5808 58.0957 41.9223 178.6576 15 L 4.2579 7.9731 119.2712 57.2255 41.7433 179.2347 16 E 4.2245 7.6618 117.6918 60.3215 30.1233 182.6716 17 T 4.5363 7.7978 110.6441 62.2540 68.8394 176.6035 *32 K 3.9624 8.6985 125.0101 54.8295 32.2029 174.3817 33 I 4.2011 7.7572 130.1008 63.7990 35.1069 174.6444 34 E 4.2760 8.1808 120.5761 61.7862 29.6022 181.8931 35 D 4.6906 8.1618 123.5793 59.1467 40.0416 181.3723 36 K 4.0972 7.8036 125.3365 59.8216 31.4752 180.9128 37 V 3.7860 7.7790 117.9967 66.2223 31.6081 177.9219 38 T 3.8666 9.0835 116.0826 66.8013 68.3941 176.1109 39 L 3.9067 9.4414 121.7160 58.3835 42.2110 178.8534 40 S 4.2108 8.2975 113.3654 61.4848 62.1231 176.3501 41 K 4.0631 8.5716 121.4997 59.0202 31.8275 179.4632 42 I 3.6316 7.8085 119.9711 64.2623 36.8671 177.9172 43 A 3.9774 8.0484 120.6306 55.4697 18.1168 178.8893 44 Q 4.0498 7.9649 117.6947 59.6489 28.7011 178.5767 45 E 3.9595 8.1063 120.0031 59.1108 29.4682 178.3189 46 L 3.9645 7.8779 117.5846 56.3714 42.0000 178.3577 47 S 4.5607 7.9928 116.3813 60.5227 63.5430 177.4392 48 K 4.1710 7.2434 123.2031 57.2591 32.2103 179.3306 49 N 4.8056 8.0660 117.4862 53.7329 39.0608 176.1957 50 D 4.4018 8.1821 120.8692 57.3676 41.8278 178.2227 51 V 3.7428 7.5269 116.8416 62.6501 31.6501 183.2773 52 E 3.9722 8.9188 119.4185 60.9608 29.8279 185.0000 53 E 3.5409 9.0739 115.0318 60.6779 30.4012 184.6525 54 K 4.3385 8.4466 120.2090 55.1223 31.1730 176.8080 55 D 4.4429 8.7123 124.6880 53.9399 37.6876 173.1349 56 L 4.5931 7.8111 119.7961 54.1764 38.9276 177.5456 57 E 4.7192 8.6464 127.1467 57.0962 27.9676 181.2858 58 K 4.0766 8.5152 127.9411 60.6093 31.4824 181.7490 59 K 4.2932 7.9731 127.3748 59.7837 31.4975 182.0673 60 V 4.0059 7.6545 121.3749 66.6433 32.0469 182.4288 61 K 4.3867 10.2468 126.7083 60.0366 31.1451 181.7750 62 E 4.2517 8.3255 119.7974 61.9382 29.9881 183.0141 63 L 4.5599 7.7131 126.3810 60.0360 40.9632 182.0528 64 K 4.2110 8.6146 127.7162 60.2744 30.8665 181.4385 65 E 4.5800 8.5363 121.9031 60.4907 29.4624 180.7086 66 K 4.5958 8.2904 122.7276 57.7575 32.5413 183.3533 67 I 4.2460 8.1144 122.8979 66.4488 35.9791 183.3707 68 E 4.4561 8.1100 121.2857 60.8279 30.2270 180.1580 69 K 4.4172 7.8040 121.2610 58.7024 31.8975 179.7331 70 G 3.9867 7.4890 106.9717 48.4770 0.0000 175.4463 71 E 4.7316 8.1180 115.2985 54.4650 30.9860 178.1013 72 Y 4.3983 8.0869 123.6955 58.0036 41.3397 173.8403 73 E 4.8156 8.6195 125.7995 54.9587 32.4914 174.0741 74 V 4.3310 8.1053 121.1160 59.0801 30.6488 173.6699 75 S 4.4956 7.9443 120.4237 57.4863 64.9388 174.7652 76 D 4.5056 9.1140 128.8618 58.6461 40.1192 178.9342 77 E 4.0178 8.2906 118.2643 60.8057 29.6593 182.4467 78 K 4.2488 8.4578 120.7467 60.4568 32.5114 180.5279 79 V 3.7244 7.9340 119.2507 65.9950 31.2631 180.2834 80 V 3.9941 8.2812 120.4743 66.8189 31.7044 177.9053 81 K 3.9484 9.7502 124.0597 58.8562 31.2413 182.3311 82 G 4.2153 8.4349 104.2913 47.7971 0.0000 175.3090 83 L 4.2260 8.0963 122.1842 57.6497 41.6298 179.7368 84 I 3.9777 8.5324 119.7237 64.0475 37.1434 178.0847 85 E 3.8994 8.2154 118.9356 59.2785 29.3638 178.8404 86 F 4.3628 8.0107 119.6031 60.5452 40.0515 177.3451 87 F 4.2010 8.6154 115.4038 59.0397 38.7901 175.5719 88 T 4.2248 8.1982 114.8473 61.8251 68.8119 173.5658 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 3 N 8.28 4.68 0.00 2.81 2.76 0.00 0.00 6.72 6.77 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 4 R 7.81 3.54 0.00 2.00 1.90 0.00 3.26 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 5 I 8.02 3.89 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 1.52 0.56 0.91 0.00 0.00 6 E 8.02 4.18 0.00 2.07 1.95 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 2.36 2.45 0.00 7 L 8.61 3.96 0.00 1.81 1.72 0.96 -0.14 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 8 S 8.99 4.07 0.00 3.96 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 0.00 9 R 7.61 3.85 0.00 1.93 2.27 0.00 3.09 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 10 L 8.17 3.92 0.00 1.86 1.69 0.97 1.12 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 11 I 7.89 3.66 1.97 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 1.45 0.73 0.91 0.00 0.00 12 G 8.42 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.36 3.89 0.00 1.91 1.82 0.92 0.59 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 14 L 8.75 3.86 0.00 1.80 1.90 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.97 4.26 0.00 1.85 1.70 1.02 0.75 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 16 E 7.66 4.22 0.00 2.11 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 2.26 2.19 0.00 17 T 7.80 4.54 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 *32 K 8.70 3.96 0.00 1.73 1.81 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 33 I 7.76 4.20 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 1.50 0.54 0.91 0.00 0.00 34 E 8.18 4.28 0.00 1.96 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 1.96 0.00 35 D 8.16 4.69 0.00 2.68 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 36 K 7.80 4.10 0.00 1.72 1.88 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 37 V 7.78 3.79 2.25 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 0.79 0.00 0.00 0.96 0.00 0.00 38 T 9.08 3.87 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 1.21 0.00 0.00 39 L 9.44 3.91 0.00 1.96 1.81 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.30 4.21 0.00 4.00 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 41 K 8.57 4.06 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.57 7.81 42 I 7.81 3.63 2.01 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 1.45 1.11 0.91 0.00 0.00 43 A 8.05 3.98 1.33 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 44 Q 7.96 4.05 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 45 E 8.11 3.96 0.00 2.25 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 2.30 2.39 0.00 46 L 7.88 3.96 0.00 1.78 1.70 0.98 0.70 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 47 S 7.99 4.56 0.00 4.04 4.10 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 48 K 7.24 4.17 0.00 1.64 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.31 7.81 49 N 8.07 4.81 0.00 2.81 2.78 0.00 0.00 6.70 8.60 0.00 0.00 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 D 8.18 4.40 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 51 V 7.53 3.74 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 0.64 0.00 0.00 0.93 0.00 0.00 52 E 8.92 3.97 0.00 1.90 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 2.25 2.16 0.00 53 E 9.07 3.54 0.00 1.97 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 2.25 2.18 0.00 54 K 8.45 4.34 0.00 1.80 1.89 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.28 7.81 55 D 8.71 4.44 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 56 L 7.81 4.59 0.00 1.66 1.54 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.65 4.72 0.00 1.97 2.21 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 2.11 1.64 0.00 58 K 8.52 4.08 0.00 1.75 1.87 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.10 7.81 59 K 7.97 4.29 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.33 7.81 60 V 7.65 4.01 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 0.93 0.00 0.00 61 K 10.25 4.39 0.00 1.76 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.34 7.81 62 E 8.33 4.25 0.00 2.06 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 2.26 2.19 0.00 63 L 7.71 4.56 0.00 1.59 1.72 0.92 1.14 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 64 K 8.61 4.21 0.00 1.71 1.85 0.00 1.79 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 1.37 1.33 7.81 65 E 8.54 4.58 0.00 1.98 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 2.25 2.20 0.00 66 K 8.29 4.60 0.00 1.72 1.78 0.00 1.76 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 1.27 1.28 7.81 67 I 8.11 4.25 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 1.13 0.91 0.00 0.00 68 E 8.11 4.46 0.00 2.06 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 2.23 1.94 0.00 69 K 7.80 4.42 0.00 1.97 1.70 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.25 7.81 70 G 7.49 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 0.00 0.00 0.00 71 E 8.12 4.73 0.00 1.94 1.79 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 2.15 2.07 0.00 72 Y 8.09 4.40 0.00 3.01 2.81 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 73 E 8.62 4.82 0.00 2.00 1.68 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 0.00 2.13 1.83 0.00 74 V 8.11 4.33 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 0.94 0.00 0.00 0.93 0.00 0.00 75 S 7.94 4.50 0.00 4.04 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 76 D 9.11 4.51 0.00 2.79 2.80 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 77 E 8.29 4.02 0.00 1.97 1.90 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 2.32 1.98 0.00 78 K 8.46 4.25 0.00 1.97 1.94 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.47 7.81 79 V 7.93 3.72 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 0.78 0.00 0.00 0.93 0.00 0.00 80 V 8.28 3.99 2.22 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 0.96 0.00 0.00 0.98 0.00 0.00 81 K 9.75 3.95 0.00 1.81 1.67 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.34 7.81 82 G 8.43 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 0.00 0.00 0.00 83 L 8.10 4.23 0.00 2.00 1.80 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.53 3.98 2.13 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 1.69 1.04 0.97 0.00 0.00 85 E 8.22 3.90 0.00 2.02 2.13 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 2.38 2.40 0.00 86 F 8.01 4.36 0.00 3.10 3.24 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 87 F 8.62 4.20 0.00 3.43 3.21 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 88 T 8.20 4.22 4.27 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.