# 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 A C C 69.44 6.51 15.15 22.76 109.80 -156.94 -87.29 114.69 99.76 0.23 0.01 99.67 0.13 0.03 0.00 0.00 0.00 0.16 0.01 1 H C C 98.14 9.73 12.51 23.12 118.75 -158.88 -106.11 133.25 76.25 23.06 0.69 72.14 2.20 1.21 0.18 0.43 0.00 22.63 1.21 2 S C E 59.97 6.39 16.80 24.30 121.51 -149.44 -108.79 143.34 50.59 48.64 0.77 40.23 8.24 1.25 0.13 0.59 0.00 48.87 0.69 3 V E E 37.53 19.04 12.76 31.16 123.22 -161.00 -116.47 133.57 14.65 84.87 0.49 13.28 1.15 0.22 0.20 0.20 0.00 84.46 0.48 4 K E E 106.32 6.67 22.23 29.79 120.68 -160.46 -112.67 130.90 7.20 92.42 0.38 6.71 0.42 0.11 0.19 0.11 0.00 92.09 0.36 5 I E E 39.50 18.54 15.11 33.41 118.55 -156.82 -106.11 125.38 17.03 82.44 0.53 16.06 0.81 0.20 0.20 0.22 0.00 81.85 0.67 6 Y C E 72.93 11.71 17.72 30.19 119.47 -162.70 -97.10 149.12 53.91 43.35 2.74 41.33 9.26 3.12 0.53 2.11 0.00 42.61 1.04 7 D C S 97.44 6.39 20.42 27.30 99.33 -118.67 -80.71 -12.00 75.48 21.66 2.86 14.87 41.60 19.32 0.28 2.43 0.01 20.52 0.97 8 T C C 65.03 9.04 20.96 30.16 116.14 53.96 -114.53 120.93 77.25 18.98 3.77 34.48 23.67 20.26 0.56 3.31 0.01 16.33 1.39 9 C C C 15.60 22.39 14.35 36.01 114.81 -160.33 -98.54 123.44 76.48 21.92 1.60 67.62 5.52 2.44 0.47 1.24 0.00 17.32 5.41 10 I C C 60.94 12.08 22.49 34.55 113.97 -153.82 -97.30 123.62 74.23 23.61 2.16 33.03 17.19 26.00 0.70 1.53 0.03 16.30 5.22 11 G C S 32.94 9.81 23.01 32.88 96.76 3.93 76.26 13.35 90.53 7.36 2.11 24.52 34.82 32.05 0.59 1.38 0.00 5.15 1.49 12 C C C 16.82 21.31 15.06 35.54 106.06 128.04 -90.53 68.25 86.43 2.41 11.15 69.97 11.50 4.05 10.33 1.70 0.00 0.95 1.50 13 T H H 69.91 8.49 21.45 30.35 94.50 94.02 -65.79 -34.96 38.75 0.80 60.45 11.63 14.79 13.72 57.00 2.07 0.07 0.28 0.43 14 Q H H 88.07 6.48 24.09 30.67 92.54 54.68 -66.84 -38.41 21.27 1.09 77.63 9.49 5.71 7.99 73.12 2.54 0.14 0.63 0.39 15 C H H 4.99 23.75 17.05 40.78 92.06 52.71 -64.55 -42.20 5.85 1.26 92.89 3.53 1.11 2.45 87.30 4.19 0.05 1.19 0.19 16 V H H 24.41 19.82 18.73 37.82 91.77 51.99 -64.03 -39.07 3.97 1.82 94.21 1.90 0.69 2.03 88.61 4.57 0.07 1.93 0.19 17 R H H 154.85 2.79 24.17 27.06 91.62 53.06 -67.25 -32.30 7.59 1.49 90.92 2.06 0.88 5.28 86.40 3.52 0.18 1.41 0.25 18 A H H 35.91 12.17 19.29 31.89 93.63 52.75 -80.60 -19.22 20.32 0.72 78.96 1.90 2.70 16.53 76.34 1.39 0.38 0.26 0.50 19 C C C 7.64 24.44 10.58 34.44 111.03 87.58 -91.43 113.58 98.44 0.72 0.84 69.71 27.17 1.43 0.78 0.15 0.00 0.23 0.54 20 P C T 90.37 4.13 21.08 26.04 93.30 -157.92 -67.56 -18.84 91.17 0.66 8.17 23.54 19.27 48.04 4.23 4.21 0.00 0.34 0.36 21 T C T 56.24 10.26 17.60 28.44 100.07 50.86 -98.14 0.45 87.28 1.09 11.62 6.37 27.89 53.18 5.93 5.40 0.02 0.60 0.59 22 D C C 85.03 9.18 21.40 30.78 95.49 -115.05 56.03 43.40 80.90 5.08 14.03 40.30 22.60 18.23 4.99 9.06 0.02 3.57 1.23 23 V C S 11.66 21.30 18.52 39.86 97.06 138.46 -84.84 -25.34 69.53 17.37 13.10 29.35 31.94 8.88 5.03 7.71 0.04 15.78 1.27 24 L E E 6.34 24.97 16.94 42.09 126.58 46.09 -121.41 137.20 25.44 62.26 12.31 16.15 8.04 4.53 5.50 5.85 0.07 57.09 2.77 25 E E E 85.48 8.05 26.05 34.68 126.62 -169.01 -123.57 141.02 20.34 73.00 6.65 16.37 3.06 1.69 2.97 2.84 0.01 71.78 1.28 26 M E E 55.20 18.71 16.95 34.91 116.20 -127.64 -91.73 130.86 26.78 70.68 2.55 22.54 3.61 1.10 1.57 1.23 0.01 65.86 4.07 27 V C C 33.99 12.94 16.04 30.46 121.20 -159.77 -110.92 135.31 64.30 35.10 0.61 55.53 6.95 0.78 0.23 0.38 0.00 34.54 1.58 28 P C C 79.90 5.06 18.88 24.59 111.97 -110.54 -67.89 141.37 79.00 18.58 2.42 63.49 9.47 4.80 0.53 1.90 0.00 18.16 1.65 29 W C C 87.68 15.57 9.54 24.31 111.63 -153.92 -102.78 112.43 74.04 16.19 9.77 40.76 15.91 17.74 2.19 7.45 0.04 8.04 7.87 30 D C T 120.44 1.72 14.65 16.74 98.24 13.36 -3.26 49.81 89.18 2.74 8.09 9.68 14.30 64.55 1.43 7.07 0.01 1.81 1.15 31 G C T 63.02 1.10 14.26 14.91 96.80 -51.83 82.11 1.95 91.33 1.37 7.30 9.91 18.21 62.99 1.18 6.27 0.00 0.90 0.53 32 C C C 37.93 13.43 8.32 21.92 121.68 116.01 -97.06 147.39 77.04 18.76 4.20 52.40 19.68 4.43 2.22 2.13 0.01 8.03 11.09 33 K C C 116.79 2.80 19.35 21.64 117.06 -122.14 -87.55 145.64 80.68 13.50 5.82 70.30 6.51 3.02 4.24 1.94 0.00 8.26 5.73 34 A H G 46.72 14.87 11.28 25.75 93.58 -114.93 -59.84 -35.35 32.41 4.47 63.13 10.63 6.32 15.22 29.45 33.93 0.33 2.97 1.15 35 S H G 77.21 2.81 17.79 21.12 92.29 61.18 -68.18 -22.86 28.53 5.08 66.39 8.52 5.11 14.30 33.17 33.91 0.30 3.79 0.91 36 Q H H 88.13 6.69 17.67 25.22 94.01 58.99 -77.30 -24.94 23.36 7.54 69.10 11.94 4.68 7.36 35.61 33.44 0.12 5.83 1.02 37 I H H 19.32 21.58 11.63 32.02 96.14 61.22 -73.49 -31.28 27.84 17.54 54.62 16.39 5.69 7.29 36.19 17.62 0.34 13.18 3.29 38 A C H 57.27 9.42 17.58 27.35 95.21 65.13 -68.67 -25.81 44.42 13.33 42.25 17.09 7.96 19.45 27.39 14.75 0.45 10.26 2.65 39 S C T 81.32 2.75 20.07 22.72 97.03 51.59 -89.30 0.76 59.04 7.61 33.34 15.33 11.87 32.34 18.24 14.53 0.39 5.04 2.25 40 A C S 27.43 17.88 12.77 30.13 117.89 108.92 -81.00 141.88 97.69 1.84 0.47 47.60 49.92 0.57 0.30 0.14 0.00 0.90 0.57 41 P C C 50.14 11.35 17.01 29.25 113.16 -104.94 -66.42 149.56 93.81 4.14 2.05 87.07 4.94 1.54 1.07 0.85 0.00 2.03 2.51 42 R C C 110.27 8.96 18.94 28.26 115.06 -114.63 -84.86 136.89 89.11 7.80 3.09 82.62 4.16 1.58 1.50 1.35 0.00 2.59 6.20 43 T H G 47.04 17.58 13.17 29.62 95.80 -129.46 -66.47 -27.20 34.51 2.30 63.19 17.79 6.78 11.25 6.50 55.58 0.00 1.53 0.57 44 E H G 139.00 2.84 19.12 22.75 92.77 66.60 -70.02 -22.19 28.66 2.02 69.32 6.81 6.12 16.97 7.42 60.77 0.01 1.52 0.38 45 D H G 88.28 5.69 18.77 25.22 97.82 49.24 -93.80 4.82 27.32 2.28 70.40 8.71 5.93 13.83 6.07 63.28 0.03 1.63 0.51 46 C C C 15.85 22.41 11.36 32.76 112.79 111.00 -83.23 126.29 73.75 13.82 12.43 57.89 9.66 5.39 5.55 7.30 0.03 8.42 5.77 47 V C T 64.89 9.13 22.18 31.65 115.51 -164.88 -102.44 130.79 70.49 20.83 8.67 22.42 13.18 36.23 5.15 3.48 0.29 13.11 6.14 48 G C T 26.84 10.76 21.28 32.20 102.89 13.19 88.30 -1.25 83.17 9.62 7.21 16.87 24.23 43.19 3.45 3.28 0.08 6.54 2.36 49 C C C 16.67 21.17 13.61 33.99 102.98 135.08 -75.63 85.27 91.44 2.56 5.99 83.86 5.72 1.89 4.92 1.13 0.00 1.29 1.20 50 K H H 132.31 3.34 21.24 25.36 93.60 81.96 -62.59 -39.90 28.47 0.84 70.69 7.59 7.28 15.39 63.28 5.37 0.24 0.44 0.42 51 R H H 119.17 5.65 20.94 26.98 92.50 50.27 -67.26 -37.10 23.00 1.21 75.79 4.85 4.55 15.06 67.74 6.12 0.36 0.88 0.42 52 C H H 7.86 22.60 13.55 35.88 93.69 50.24 -70.35 -37.10 13.95 1.70 84.35 6.60 2.61 6.15 75.23 7.49 0.10 1.43 0.38 53 E H H 84.53 13.08 17.16 29.86 92.20 60.03 -63.60 -36.68 12.50 1.43 86.07 5.19 1.98 6.41 77.39 7.38 0.12 1.21 0.32 54 S H H 86.32 1.30 21.34 20.94 92.84 53.02 -71.89 -24.43 21.30 0.76 77.95 3.81 2.47 15.10 72.35 5.31 0.15 0.56 0.24 55 A H H 40.57 11.12 16.40 28.16 96.17 51.51 -84.27 -21.76 31.05 0.94 68.01 4.41 6.24 21.74 63.43 2.93 0.30 0.42 0.53 56 C C C 15.28 20.36 9.78 29.27 114.30 56.00 -115.95 113.40 97.91 1.09 1.00 63.70 32.86 1.29 0.80 0.22 0.00 0.39 0.74 57 P C T 94.04 3.53 17.45 21.85 94.19 -158.32 -66.99 -19.90 88.72 0.93 10.35 24.06 18.27 46.29 5.51 4.89 0.00 0.67 0.31 58 T C T 76.89 5.67 15.88 22.48 101.43 47.69 -99.75 1.62 82.12 2.69 15.18 10.21 23.79 48.65 8.21 6.24 0.03 2.21 0.67 59 D C C 92.25 7.55 17.24 25.59 98.65 -116.85 10.26 46.23 79.56 5.89 14.55 46.80 18.11 14.46 7.78 7.08 0.01 4.49 1.27 60 F C C 62.58 14.41 15.82 30.20 100.53 147.04 -90.57 -9.48 66.30 17.34 16.35 45.52 14.03 6.40 11.00 5.55 0.01 15.68 1.82 61 L E E 40.99 18.51 14.22 32.13 119.15 79.13 -107.50 129.04 37.78 46.75 15.46 27.05 6.71 4.50 10.77 4.68 0.04 44.08 2.16 62 S E E 54.44 7.65 20.92 29.34 125.63 -169.37 -120.33 140.88 26.35 61.31 12.34 20.56 3.31 2.12 9.00 3.13 0.01 60.96 0.91 63 V E E 51.22 17.00 13.95 30.65 123.06 -161.29 -117.67 131.56 23.51 66.05 10.44 19.31 2.01 0.99 8.62 1.55 0.00 66.94 0.58 64 R E E 125.55 6.26 17.74 25.37 120.72 -166.64 -114.31 131.29 20.66 69.61 9.73 16.87 1.50 0.82 8.39 1.24 0.00 70.74 0.44 65 V E E 62.26 12.06 13.48 26.41 119.75 -158.26 -109.88 130.24 23.71 66.07 10.22 19.23 1.92 1.08 8.60 1.46 0.00 67.12 0.59 66 Y E E 117.93 7.27 13.76 22.60 116.57 -158.87 -105.51 126.13 34.10 55.21 10.69 26.69 4.07 2.35 8.80 2.01 0.00 54.95 1.12 67 L C C 98.46 6.55 11.99 20.04 113.54 -164.55 -102.95 120.32 54.10 34.30 11.60 33.58 10.78 9.14 8.47 3.25 0.02 33.17 1.59 68 G C C 45.73 4.04 12.69 17.84 121.23 -79.85 98.91 -169.00 74.53 13.33 12.14 34.32 20.26 20.23 8.13 4.04 0.02 11.55 1.46 69 A C C 83.73 2.99 11.91 16.23 110.25 -49.90 -87.41 121.96 68.01 8.71 23.27 30.87 20.00 17.63 16.39 6.60 0.08 6.78 1.65 70 E C C 124.47 4.37 11.38 17.48 116.72 -130.87 -96.83 137.23 55.97 14.99 29.05 34.00 12.27 9.76 22.41 6.49 0.09 12.75 2.22 71 T C C 77.36 6.71 10.53 18.89 120.11 -156.37 -106.96 140.13 50.06 19.08 30.86 37.48 6.75 5.30 25.73 5.32 0.03 17.08 2.31 72 T C H 79.59 5.86 10.34 17.92 115.16 -153.90 -101.02 131.42 41.27 21.30 37.42 28.56 6.63 6.00 31.39 5.98 0.08 18.96 2.39 73 R H H 160.22 3.12 10.73 15.43 111.62 -153.82 -92.43 128.33 40.97 17.36 41.67 23.72 7.88 9.90 32.52 8.40 0.16 15.49 1.93 74 S C H 78.65 3.14 10.07 14.73 111.66 -142.21 -93.90 129.62 46.75 12.42 40.83 21.91 8.74 16.52 30.71 9.38 0.20 10.68 1.85 75 M C T 129.16 3.86 9.76 14.78 103.21 14.32 -85.61 33.86 59.21 8.17 32.63 18.20 11.07 29.14 24.40 8.71 0.16 6.70 1.62 76 G C T 53.31 3.04 10.76 15.05 104.37 -81.50 80.80 8.22 74.74 11.74 13.52 25.99 15.74 33.81 7.82 5.09 0.06 9.87 1.63 77 L C C 99.64 5.12 8.10 15.04 115.48 128.75 -93.62 133.17 62.62 24.63 12.76 42.84 9.41 10.18 7.58 5.24 0.05 21.28 3.42 78 A C C 76.08 3.49 9.77 15.07 117.29 -154.08 -100.52 136.07 63.65 24.88 11.46 50.37 3.93 8.57 7.48 3.75 0.02 20.84 5.04 79 Y C C 137.51 6.49 11.58 19.47 116.52 -144.66 -99.96 131.24 98.42 1.30 0.27 98.27 0.21 0.20 0.19 0.02 0.00 1.01 0.11