# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 S C C 73.61 4.61 13.69 19.59 115.17 -153.22 -96.31 135.13 99.83 0.15 0.02 99.77 0.09 0.04 0.01 0.00 0.00 0.07 0.02 1 I C C 109.42 6.09 9.44 16.98 112.09 -155.89 -91.80 119.39 86.95 5.32 7.73 77.95 2.37 6.97 1.88 5.33 0.00 3.75 1.74 2 K C C 135.62 3.86 10.85 16.55 112.39 -149.16 -90.44 130.92 81.44 11.33 7.23 52.31 15.56 13.69 1.22 6.24 0.00 8.15 2.83 3 K C C 145.89 3.28 12.33 17.51 114.84 -148.05 -96.74 131.78 78.90 14.37 6.73 45.57 23.43 10.57 1.33 5.50 0.01 9.09 4.50 4 G C C 32.25 7.94 12.96 22.12 131.82 59.77 160.58 177.98 88.77 10.46 0.77 45.74 39.01 4.65 0.14 0.70 0.00 7.92 1.84 5 P C C 79.43 7.16 16.18 24.15 105.58 -54.00 -71.08 130.33 88.85 10.46 0.69 40.46 38.43 10.31 0.09 0.72 0.00 9.02 0.96 6 F E E 85.46 12.17 15.86 28.28 118.42 -120.06 -100.25 131.08 47.55 51.70 0.75 34.18 8.60 3.46 0.33 0.59 0.00 41.12 11.71 7 V C C 42.19 16.02 14.65 30.59 124.10 -169.38 -116.43 139.76 50.37 49.36 0.26 46.45 2.90 0.23 0.18 0.12 0.00 36.22 13.90 8 D C C 53.50 10.41 15.94 27.48 109.74 -121.21 -79.59 122.50 94.69 4.97 0.34 94.48 0.93 0.12 0.22 0.05 0.00 3.62 0.58 9 E H H 122.75 4.22 16.18 21.94 93.20 -148.29 -63.65 -33.06 4.39 0.01 95.60 0.67 0.41 3.13 94.43 1.35 0.00 0.01 0.00 10 H H H 108.24 3.03 18.51 21.57 91.92 56.20 -64.75 -39.83 2.47 0.01 97.52 0.32 0.17 1.85 95.89 1.76 0.00 0.00 0.00 11 L H H 19.38 16.17 14.58 31.54 92.28 50.38 -65.25 -41.64 0.75 0.01 99.24 0.17 0.07 0.45 97.75 1.56 0.00 0.01 0.00 12 M H H 48.88 13.35 16.17 30.08 91.78 51.67 -63.38 -41.75 0.46 0.01 99.53 0.12 0.04 0.25 99.20 0.38 0.00 0.01 0.00 13 K H H 121.67 1.77 21.77 21.85 91.72 50.86 -64.16 -41.50 0.56 0.01 99.43 0.13 0.05 0.33 99.29 0.19 0.00 0.00 0.00 14 K H H 92.65 5.88 19.86 26.23 92.19 49.59 -65.05 -41.43 0.64 0.01 99.34 0.15 0.06 0.39 99.20 0.20 0.00 0.01 0.00 15 V H H 15.14 17.83 14.14 32.51 92.14 50.35 -64.82 -42.43 0.70 0.01 99.29 0.16 0.06 0.39 99.16 0.21 0.00 0.01 0.00 16 E H H 96.37 5.27 18.63 24.70 91.91 50.84 -64.26 -40.36 1.41 0.01 98.58 0.28 0.11 0.87 98.40 0.34 0.00 0.00 0.00 17 A H H 65.44 2.04 18.06 19.38 92.33 51.31 -65.85 -38.29 4.76 0.02 95.21 0.52 0.33 3.68 94.80 0.65 0.01 0.01 0.01 18 Q H H 66.64 9.89 12.88 23.85 94.29 51.26 -71.56 -30.86 12.12 0.09 87.79 1.47 1.14 9.14 87.19 0.95 0.02 0.03 0.04 19 E H H 105.11 7.77 12.29 21.00 98.09 60.07 -75.26 -12.44 41.04 0.51 58.45 6.98 5.73 27.94 57.32 1.50 0.07 0.18 0.29 20 G C T 59.08 1.59 13.74 15.51 100.22 30.53 36.43 -2.74 74.91 0.72 24.37 21.66 10.40 41.96 22.63 2.64 0.01 0.29 0.41 21 S C C 64.79 4.70 9.46 15.92 114.11 95.88 -94.37 149.20 84.42 0.96 14.63 33.99 23.56 27.54 8.56 5.30 0.00 0.38 0.67 22 E C C 158.98 1.38 11.68 13.81 98.84 -126.22 -77.78 4.09 89.79 0.72 9.49 31.31 28.72 30.20 2.97 6.02 0.00 0.32 0.46 23 K C C 126.81 3.84 11.46 16.99 113.80 101.83 -90.92 134.74 90.58 1.27 8.15 46.00 27.16 17.42 1.96 6.17 0.00 0.61 0.68 24 K C C 120.44 7.55 12.16 21.05 111.92 -136.58 -86.20 121.22 91.05 3.22 5.73 67.64 14.25 8.96 1.27 4.76 0.00 2.35 0.77 25 Q C C 88.51 8.14 16.29 25.44 119.90 -158.85 -107.43 142.52 83.14 14.17 2.69 59.21 19.96 3.88 0.62 2.02 0.00 13.08 1.22 26 V C E 61.53 11.69 16.89 29.26 117.75 -131.92 -96.69 131.91 52.81 46.67 0.52 46.30 5.00 0.63 0.14 0.31 0.00 46.55 1.06 27 I E E 27.08 18.92 15.44 34.71 119.07 -156.55 -105.86 130.36 14.31 85.58 0.11 13.58 0.75 0.09 0.07 0.05 0.00 84.12 1.34 28 K E E 106.17 7.68 23.01 31.42 115.82 -144.13 -94.13 128.94 10.89 89.04 0.07 10.38 0.50 0.06 0.04 0.03 0.00 88.08 0.92 29 T E E 22.01 20.88 14.02 34.42 127.63 -171.74 -120.52 145.21 35.23 64.62 0.15 32.87 1.64 0.21 0.05 0.09 0.00 63.73 1.41 30 W C C 128.64 7.42 21.61 29.59 101.32 -161.73 -97.28 -11.87 71.36 28.25 0.40 41.57 28.25 2.10 0.08 0.35 0.00 26.19 1.45 31 S C C 29.53 13.67 16.55 30.80 124.64 53.22 -116.17 142.85 86.19 12.67 1.14 61.25 20.90 3.96 0.18 1.21 0.00 10.95 1.54 32 R C S 125.35 10.30 17.89 28.47 99.21 -165.77 -88.91 -19.45 89.37 7.95 2.68 15.08 40.11 34.40 0.19 2.83 0.00 6.39 1.01 33 R C S 147.30 3.85 21.70 26.06 106.73 50.47 -103.95 69.66 85.90 11.63 2.47 19.28 34.40 32.35 0.13 2.82 0.00 10.13 0.88 34 S C C 18.02 19.79 13.54 32.92 130.69 149.51 -117.98 154.89 74.97 23.82 1.20 63.89 8.89 1.09 0.11 1.13 0.00 24.16 0.73 35 T E E 59.73 7.90 24.89 33.51 120.82 -136.63 -110.30 135.60 12.12 87.82 0.06 11.04 0.97 0.08 0.03 0.04 0.00 83.83 4.01 36 I E E 21.36 22.63 15.68 38.35 118.51 -155.78 -107.87 127.80 11.25 88.74 0.01 10.90 0.35 0.01 0.01 0.01 0.00 79.93 8.81 37 F C C 55.71 10.69 19.33 31.27 112.86 -128.65 -77.88 132.08 98.29 1.70 0.01 98.45 0.23 0.01 0.00 0.00 0.00 1.26 0.05 38 P H G 70.97 9.75 16.33 27.22 90.95 -123.41 -58.29 -31.06 10.89 0.09 89.02 0.58 0.71 8.03 0.70 89.89 0.00 0.07 0.01 39 N H G 106.08 3.77 20.57 25.21 89.28 64.77 -68.36 -16.06 9.82 0.05 90.12 0.19 0.43 8.41 0.54 90.39 0.00 0.04 0.00 40 F H G 15.26 21.36 13.66 35.65 94.46 57.13 -95.33 -6.14 9.85 0.10 90.06 0.83 0.85 6.30 0.64 91.32 0.00 0.06 0.01 41 I C T 60.50 14.75 15.08 30.33 112.75 115.50 -62.17 132.13 97.91 1.04 1.06 0.59 1.26 96.66 0.13 0.44 0.00 0.33 0.59 42 G C T 46.06 3.67 21.63 25.97 93.87 22.21 85.59 -4.08 99.65 0.18 0.17 0.25 1.72 97.79 0.01 0.10 0.00 0.12 0.01 43 H C C 50.26 15.01 16.45 31.84 123.04 124.01 -86.00 151.51 95.86 4.11 0.03 87.51 8.01 0.16 0.00 0.03 0.00 4.14 0.14 44 T E E 47.04 10.88 23.74 35.19 119.92 -131.95 -106.45 133.80 2.28 97.72 0.00 2.30 0.06 0.00 0.00 0.00 0.00 97.37 0.26 45 F E E 7.02 24.37 18.10 42.86 128.57 -172.66 -125.31 144.61 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 46 A E E 16.47 13.42 25.32 39.66 118.64 -140.33 -103.06 132.91 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 47 V E E 6.87 22.19 19.53 42.16 121.01 -163.51 -115.57 130.64 0.22 99.78 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 48 Y E E 45.68 12.98 19.13 33.36 116.10 -154.53 -104.87 122.87 4.46 95.51 0.03 3.53 0.54 0.09 0.00 0.02 0.00 95.71 0.12 49 D E E 56.18 9.51 17.24 28.18 102.04 178.39 -108.97 28.06 36.55 62.68 0.77 21.04 9.42 6.47 0.07 0.81 0.00 61.61 0.58 50 G C T 42.04 6.96 15.09 22.88 98.80 -88.85 77.14 -6.61 98.87 0.39 0.74 1.63 27.35 69.79 0.02 0.87 0.00 0.26 0.08 51 R C T 176.81 1.49 15.56 16.92 103.54 41.64 -100.81 -22.36 98.94 0.51 0.55 1.75 33.67 63.52 0.02 0.61 0.00 0.35 0.08 52 K E E 133.07 2.01 17.26 19.42 127.21 35.80 -126.94 147.27 25.10 74.83 0.07 17.39 7.45 0.55 0.01 0.07 0.00 73.99 0.55 53 H E E 88.95 14.56 11.47 25.69 118.38 -127.03 -94.45 133.16 5.93 94.07 0.00 5.39 0.24 0.01 0.00 0.00 0.00 94.21 0.14 54 V E E 48.43 9.58 18.22 29.45 120.66 -168.25 -122.28 126.88 1.55 98.45 0.00 1.39 0.04 0.00 0.00 0.00 0.00 98.55 0.01 55 P E E 73.09 8.42 20.19 29.17 114.78 -119.75 -69.08 140.49 1.29 98.71 0.00 1.20 0.01 0.00 0.00 0.00 0.00 98.77 0.01 56 V E E 14.65 21.41 15.17 36.47 128.88 -173.77 -129.54 143.62 0.57 99.43 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 57 Y E E 105.29 7.31 25.53 33.34 117.97 -137.44 -102.20 132.22 0.65 99.35 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.31 0.04 58 V E E 7.91 24.58 12.87 38.00 114.77 -147.45 -98.67 126.53 16.57 83.42 0.01 16.88 0.17 0.01 0.00 0.00 0.00 82.48 0.45 59 T C C 48.16 6.03 22.21 28.50 132.17 173.86 -123.19 169.75 91.70 8.23 0.07 90.76 1.44 0.07 0.02 0.04 0.00 7.31 0.36 60 E H G 123.22 7.35 15.01 23.86 90.92 -98.37 -59.67 -31.85 20.83 0.16 79.01 0.68 2.02 16.02 1.08 80.07 0.00 0.10 0.03 61 D H G 116.82 1.38 19.32 19.96 90.15 61.20 -70.87 -16.89 21.13 0.10 78.77 0.43 1.11 17.35 0.96 80.07 0.00 0.07 0.01 62 M H G 23.63 18.85 12.37 31.48 95.37 52.42 -96.85 -5.69 21.40 0.39 78.20 2.64 2.41 13.98 1.38 79.25 0.00 0.26 0.08 63 V C T 56.18 14.77 13.52 28.65 112.51 114.74 -63.11 134.11 96.47 2.35 1.18 2.53 3.11 91.31 0.27 0.58 0.00 1.01 1.18 64 G C T 47.72 4.00 20.66 25.47 93.76 21.46 84.53 -4.26 99.01 0.56 0.43 1.41 3.70 94.01 0.05 0.33 0.00 0.40 0.09 65 H C C 67.89 11.89 15.65 28.35 123.68 125.04 -86.81 152.60 96.24 3.32 0.44 82.01 13.85 0.56 0.14 0.28 0.00 1.89 1.28 66 K E B 94.52 7.46 21.23 29.16 118.21 -113.08 -81.33 148.09 36.78 62.30 0.92 29.93 1.92 0.32 0.55 0.22 0.00 7.29 59.77 67 L H G 41.82 19.86 14.18 33.53 99.17 -105.42 -61.07 -29.14 26.38 0.78 72.85 2.77 3.36 19.59 5.27 68.21 0.02 0.50 0.30 68 G H G 34.11 10.63 18.41 29.22 94.31 40.55 68.76 -7.98 22.44 0.32 77.24 1.95 2.24 17.25 6.18 72.05 0.00 0.20 0.12 69 E H G 106.86 6.05 19.01 26.00 92.59 85.36 -73.34 -18.35 22.09 0.55 77.37 3.98 4.11 13.68 6.40 71.25 0.01 0.31 0.25 70 F C G 81.30 12.81 14.76 27.81 101.05 44.88 -103.64 -1.81 55.52 4.60 39.87 17.03 15.98 23.48 7.83 30.44 0.20 2.10 2.94 71 A C C 38.79 13.71 12.62 26.64 119.18 96.32 -93.65 140.29 93.41 4.57 2.02 49.91 42.14 1.78 1.06 0.88 0.00 2.13 2.10 72 P C C 80.51 6.32 14.51 22.15 112.56 -105.71 -68.19 146.48 89.94 7.00 3.07 77.81 8.33 3.58 1.16 1.84 0.00 3.83 3.44 73 T C C 87.02 7.20 11.09 19.70 113.19 -151.29 -97.57 133.87 85.33 10.59 4.08 68.96 11.12 4.39 1.68 2.44 0.00 5.66 5.73 74 R C C 155.10 3.87 11.69 17.43 116.54 -152.43 -106.22 132.98 83.12 11.65 5.23 57.37 20.50 5.29 2.40 2.84 0.00 7.46 4.14 75 T C C 97.76 3.27 11.04 16.17 116.69 -144.93 -101.67 131.45 81.64 12.36 6.00 61.49 14.57 5.31 2.87 3.16 0.01 8.73 3.86 76 F C C 126.17 6.06 8.45 16.20 115.58 -150.84 -95.59 130.73 79.44 12.17 8.39 61.75 11.17 5.71 4.90 3.66 0.01 7.64 5.16 77 K C C 152.05 2.08 10.66 14.20 111.77 -155.61 -94.69 125.39 77.78 6.15 16.07 39.34 17.05 22.43 8.30 7.02 0.03 3.59 2.23 78 G C C 49.71 3.04 11.08 15.45 109.87 16.18 90.69 -16.46 76.98 3.21 19.81 30.84 21.15 26.26 9.50 9.12 0.03 1.60 1.50 79 H C C 123.07 4.38 9.00 14.91 102.81 69.21 -80.54 -4.96 67.65 3.80 28.56 38.56 14.82 14.81 14.30 13.62 0.02 1.89 1.97 80 V C C 99.27 3.60 9.73 14.76 104.30 68.15 -82.84 0.63 63.76 2.65 33.59 30.27 14.38 20.07 14.43 18.12 0.03 1.30 1.40 81 A C C 77.43 3.10 8.85 13.51 102.14 66.63 -81.00 -1.29 66.64 2.01 31.35 29.28 15.93 22.66 12.14 17.89 0.02 0.95 1.14 82 D C C 107.40 2.67 8.58 12.86 104.15 74.94 -86.13 28.66 78.66 1.26 20.08 60.95 4.03 15.26 8.93 9.43 0.00 0.68 0.72 83 D C C 107.55 3.03 10.38 15.05 103.58 106.83 -84.00 28.19 99.88 0.05 0.07 99.61 0.16 0.16 0.03 0.01 0.00 0.02 0.01