NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2504 8.2601 123.5824 52.0742 20.0473 179.2063 1 A 4.1204 8.6324 119.9544 53.4520 17.0424 176.4190 2 Q 4.3897 8.1894 124.7940 55.7361 31.3653 173.9792 3 A 4.6783 8.6059 128.1772 51.4329 20.9170 176.0582 4 S 5.1641 8.9778 116.5956 56.3033 67.0103 173.5843 5 V 4.2779 8.5101 122.0716 62.9446 32.4162 175.0025 6 V 4.8888 8.5676 126.9510 60.5910 35.0498 174.3185 7 A 4.4578 8.8880 130.0039 52.4590 18.7507 177.4024 8 N 4.7222 9.2931 122.0986 54.6672 39.5947 174.1818 9 Q 4.6133 7.5642 114.0383 55.3313 31.7710 173.6410 10 L 4.1831 8.4943 122.2789 55.5351 42.8896 175.9029 11 I 4.3798 8.7463 127.9660 59.1069 38.6031 173.8780 12 P 4.6845 0.0000 0.0000 61.8705 32.1541 176.2971 13 I 3.7783 8.3901 121.8418 62.1195 38.6618 174.8921 14 N 4.3034 8.3880 123.0137 54.9529 37.0693 174.2411 15 T 4.7527 7.5861 112.1242 61.4632 71.9390 174.0062 16 A 4.6436 8.5364 127.5900 51.6587 19.4708 177.2004 17 L 4.2971 9.0098 123.4984 54.9004 43.0804 176.4977 18 T 4.9068 8.2798 112.2293 59.4512 72.1152 174.9878 19 L 4.0502 8.5219 121.2649 57.8821 41.7930 180.0582 20 V 3.7765 7.7024 110.3281 63.7034 31.8512 176.7563 21 M 4.2702 8.0313 119.0067 56.4974 32.2633 175.3713 22 M 5.2658 7.8026 118.7049 53.5022 35.3995 175.0625 23 R 4.8323 8.9699 120.8661 54.2612 33.2316 174.5613 24 S 5.3257 8.3892 112.3371 56.9674 65.8564 173.2407 25 E 4.6939 8.9410 119.9762 55.1961 34.6007 174.7234 26 V 4.3871 8.3283 122.4647 62.1363 31.6476 175.4152 27 V 4.6407 8.2498 120.2930 59.5779 35.5746 175.2677 28 T 4.6656 8.0540 110.3490 58.9439 71.4031 172.2623 29 P 4.4214 0.0000 0.0000 62.3542 32.1206 175.9503 30 V 3.8097 8.2286 119.6691 62.8496 32.5556 175.9164 31 G 4.3248 8.3395 116.5398 45.2947 0.0000 172.8219 32 I 4.0055 8.2792 123.3316 60.7799 38.2175 174.4218 33 P 4.7386 0.0000 0.0000 62.7134 31.9923 177.2549 34 A 3.9552 8.8937 124.2261 55.6007 17.9840 180.1074 35 E 4.0104 8.1836 115.7630 59.4136 29.9268 178.2174 36 D 4.6684 8.2673 117.3027 54.8096 41.1486 178.0300 37 I 3.6894 7.6836 122.2447 64.2202 36.8877 175.9692 38 P 4.2700 0.0000 0.0000 65.9505 30.9192 178.7521 39 R 3.9821 7.6747 114.9729 59.3085 30.2196 178.8771 40 L 4.2317 7.9288 118.0595 55.8203 41.5699 177.4946 41 V 3.8237 6.7921 119.2094 64.3818 31.6356 176.2191 42 S 4.1311 9.0781 121.0652 58.5856 62.5621 169.7568 43 M 4.4484 8.0641 121.4285 55.4220 33.4362 175.2506 44 Q 5.5279 8.3758 119.5603 53.9750 31.6679 175.5210 45 V 4.5144 8.2516 115.3501 60.9092 33.5103 176.0889 46 N 4.9335 8.9526 120.1935 52.7005 38.3932 174.1711 47 R 4.8353 7.5709 113.8844 54.8566 32.4486 174.5080 48 A 4.2299 8.6145 122.6018 52.2825 19.3938 177.2943 49 V 4.1973 8.8245 122.9077 60.2725 33.4083 173.3865 50 P 4.6555 0.0000 0.0000 61.9511 32.7238 175.9311 51 L 3.9452 8.4705 123.3175 57.2246 42.1316 177.6924 52 G 3.9513 8.9888 113.7025 45.6878 0.0000 173.4224 53 T 4.2320 7.6342 117.3512 63.2662 69.8143 174.2484 54 T 4.4177 8.3637 122.7661 63.2956 69.4623 173.9171 55 L 4.1757 8.9807 129.6924 55.0210 43.3050 175.7661 56 M 4.8499 8.4175 125.2589 52.6869 34.6799 174.9347 57 P 4.0519 0.0000 0.0000 65.8996 31.5846 178.0345 58 D 4.6331 8.0163 114.4430 54.8817 39.7477 176.5043 59 M 4.6270 8.1578 119.1883 55.0510 32.9992 175.5265 60 V 4.6118 7.3182 120.0433 60.4085 33.2636 174.7208 61 K 4.2940 8.9410 128.4861 57.7894 32.1224 177.5452 62 G 3.9351 9.0811 112.2020 45.3133 0.0000 172.1591 63 Y 4.2889 7.6468 120.5064 56.5468 39.4799 174.5872 64 A 4.3101 7.5058 128.4324 50.1374 22.2628 175.5130 65 A 3.8686 8.2384 123.9857 52.2804 18.6457 177.2941 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 0 A 8.26 4.25 1.01 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 1 A 8.63 4.12 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 2 Q 8.19 4.39 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 3 A 8.61 4.68 1.24 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 0.00 0.00 4 S 8.98 5.16 0.00 3.69 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 5 V 8.51 4.28 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 0.94 0.00 0.00 0.89 0.00 0.00 6 V 8.57 4.89 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 1.05 0.00 0.00 0.97 0.00 0.00 7 A 8.89 4.46 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 8 N 9.29 4.72 0.00 2.69 2.97 0.00 0.00 7.07 7.10 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 9 Q 7.56 4.61 0.00 2.05 2.02 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 2.23 2.34 0.00 10 L 8.49 4.18 0.00 1.65 1.62 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.75 4.38 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 0.66 0.90 0.00 0.00 12 P 0.00 4.68 0.00 1.93 1.98 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 13 I 8.39 3.78 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 1.34 0.82 0.91 0.00 0.00 14 N 8.39 4.30 0.00 2.89 2.86 0.00 0.00 6.79 7.64 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 15 T 7.59 4.75 4.36 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 0.00 0.00 1.21 0.00 0.00 16 A 8.54 4.64 1.22 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 17 L 9.01 4.30 0.00 1.78 1.59 0.97 0.52 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 18 T 8.28 4.91 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 19 L 8.52 4.05 0.00 1.73 1.76 0.92 0.87 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 20 V 7.70 3.78 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 0.70 0.00 0.00 0.98 0.00 0.00 21 M 8.03 4.27 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 22 M 7.80 5.27 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 23 R 8.97 4.83 0.00 1.83 2.04 0.00 2.70 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 24 S 8.39 5.33 0.00 3.83 3.82 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 0.00 0.00 0.00 0.00 25 E 8.94 4.69 0.00 1.90 1.81 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 2.22 2.25 0.00 26 V 8.33 4.39 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 27 V 8.25 4.64 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.05 4.67 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 29 P 0.00 4.42 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.23 3.81 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.34 4.32 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 0.00 0.00 0.00 32 I 8.28 4.01 1.69 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.57 0.71 0.00 0.00 33 P 0.00 4.74 0.00 2.23 2.20 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 34 A 8.89 3.96 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 0.00 0.00 0.00 0.00 0.00 35 E 8.18 4.01 0.00 1.97 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 0.00 2.33 2.42 0.00 36 D 8.27 4.67 0.00 2.92 2.83 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 37 I 7.68 3.69 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.20 0.91 0.00 0.00 38 P 0.00 4.27 0.00 2.17 2.13 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 39 R 7.67 3.98 0.00 2.12 2.08 0.00 3.19 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 40 L 7.93 4.23 0.00 1.86 1.71 0.83 0.58 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 41 V 6.79 3.82 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 0.78 0.00 0.00 0.99 0.00 0.00 42 S 9.08 4.13 0.00 4.19 4.13 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 0.00 0.00 0.00 43 M 8.06 4.45 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 44 Q 8.38 5.53 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 45 V 8.25 4.51 2.17 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 0.72 0.00 0.00 1.01 0.00 0.00 46 N 8.95 4.93 0.00 2.82 3.03 0.00 0.00 7.04 8.18 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 47 R 7.57 4.84 0.00 1.78 1.89 0.00 3.03 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 48 A 8.61 4.23 1.24 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 0.00 0.00 49 V 8.82 4.20 2.06 0.00 0.00 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 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.66 0.00 2.10 1.95 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.47 3.95 0.00 1.57 1.60 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.99 3.95 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 0.00 53 T 7.63 4.23 4.26 0.00 0.00 0.00 0.00 0.00 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 54 T 8.36 4.42 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 1.24 0.00 0.00 55 L 8.98 4.18 0.00 1.82 1.44 0.87 0.62 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 56 M 8.42 4.85 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 57 P 0.00 4.05 0.00 2.28 2.47 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 58 D 8.02 4.63 0.00 2.80 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 59 M 8.16 4.63 0.00 2.08 2.18 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 2.54 2.40 0.00 60 V 7.32 4.61 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 1.04 0.00 0.00 0.80 0.00 0.00 61 K 8.94 4.29 0.00 1.83 1.77 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.49 7.81 62 G 9.08 3.94 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 0.00 0.00 0.00 63 Y 7.65 4.29 0.00 2.95 2.99 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 64 A 7.51 4.31 1.05 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 0.00 0.00 65 A 8.24 3.87 1.23 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 0.00 0.00