# 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 M C C 110.23 6.71 12.12 20.28 114.22 155.57 -94.68 125.95 99.70 0.28 0.01 99.66 0.12 0.04 0.00 0.00 0.00 0.15 0.03 1 T C C 84.41 5.31 10.64 17.73 117.47 -155.39 -98.31 141.00 90.33 8.53 1.14 88.11 1.41 1.41 0.53 0.40 0.00 4.24 3.91 2 K C C 148.27 2.94 11.66 16.29 111.37 -127.63 -88.20 125.95 87.64 8.64 3.72 51.85 20.24 16.12 1.28 2.30 0.00 5.06 3.15 3 G C C 40.11 7.09 11.61 19.87 117.37 -5.64 99.79 -170.31 88.82 5.18 6.01 36.39 33.80 19.55 2.35 3.16 0.01 2.80 1.94 4 T C C 73.02 7.27 12.76 21.15 110.72 -68.91 -89.39 139.92 81.36 5.86 12.78 56.55 18.06 6.31 8.55 4.45 0.01 2.68 3.39 5 T C C 89.50 5.00 14.15 20.40 98.17 -131.91 -76.43 -17.72 56.08 3.70 40.22 30.95 11.21 14.75 23.73 15.77 0.07 2.15 1.37 6 S C H 63.12 6.06 14.40 21.52 100.92 60.20 -83.66 -8.46 48.98 3.39 47.62 22.52 10.17 17.43 29.03 17.45 0.14 2.00 1.26 7 M H H 78.02 10.07 12.77 23.62 99.98 68.97 -81.16 -12.33 42.10 3.76 54.15 16.80 10.11 16.66 33.89 18.60 0.31 2.14 1.49 8 G H H 32.30 8.58 13.73 23.31 105.25 49.84 33.73 -45.88 47.82 4.09 48.09 21.98 10.94 16.59 31.78 14.55 0.20 2.39 1.56 9 Q C H 115.20 4.23 14.10 19.49 103.32 45.81 -84.20 0.36 47.42 6.50 46.08 22.91 10.78 15.52 28.93 15.33 0.29 4.09 2.14 10 R C H 134.27 5.64 11.44 18.48 107.40 78.89 -87.98 84.94 49.52 8.55 41.93 22.28 11.24 17.76 25.48 14.51 0.42 5.12 3.18 11 H C T 131.48 4.42 11.39 17.33 104.33 48.75 -84.29 65.60 71.38 3.19 25.43 18.66 14.06 38.27 15.41 10.20 0.10 1.73 1.58 12 G C T 54.57 3.10 13.49 17.79 100.56 -16.26 76.69 7.08 90.49 1.56 7.95 21.55 22.83 46.57 2.90 4.60 0.00 0.88 0.66 13 R C C 128.39 6.78 11.89 20.04 114.22 116.41 -93.01 126.30 84.10 9.59 6.31 46.39 26.22 11.73 2.56 3.65 0.01 5.25 4.18 14 T C C 79.88 6.56 14.37 22.07 110.61 -155.16 -98.71 97.03 79.18 14.79 6.03 53.30 17.51 7.97 2.60 3.57 0.01 9.86 5.17 15 H C C 82.15 11.82 14.52 26.68 111.16 86.89 -99.97 106.04 76.19 18.23 5.58 53.09 16.60 6.49 2.39 3.25 0.01 13.52 4.65 16 I C C 66.62 10.64 18.03 29.39 114.74 111.91 -100.60 132.26 67.70 27.78 4.52 47.40 15.69 4.50 2.23 2.43 0.03 21.93 5.79 17 L E C 64.82 11.05 18.90 30.37 115.99 -129.50 -88.08 136.79 45.09 52.06 2.86 32.07 9.50 1.33 2.16 0.96 0.04 23.29 30.63 18 C C C 15.87 18.68 12.30 31.07 111.21 -118.30 -79.56 127.38 76.61 22.14 1.25 69.36 4.73 0.96 0.79 0.52 0.00 14.00 9.63 19 R C T 151.23 4.23 18.32 23.80 93.60 -145.62 -68.46 -28.55 92.48 0.82 6.70 2.24 10.15 80.69 0.99 4.96 0.02 0.55 0.41 20 R C T 128.63 6.04 17.53 24.33 97.49 45.88 -82.93 -36.35 93.94 0.27 5.79 0.54 6.20 88.43 0.73 3.80 0.00 0.15 0.14 21 C C T 43.33 11.25 14.04 26.24 103.60 23.25 -109.89 -12.76 93.74 0.71 5.55 1.44 8.60 84.56 0.75 3.85 0.00 0.40 0.38 22 G C C 31.16 6.15 17.34 24.80 117.80 -116.20 86.80 -8.88 90.11 8.95 0.93 58.19 24.31 7.65 0.23 0.97 0.00 4.90 3.76 23 R C S 134.55 6.21 18.18 24.92 110.31 -1.13 -84.41 134.82 89.45 9.82 0.73 12.59 54.69 21.97 0.04 0.99 0.00 8.25 1.47 24 N C S 86.91 7.56 19.79 27.88 108.70 36.16 -88.29 97.83 75.15 24.18 0.67 28.39 28.41 19.14 0.04 1.04 0.00 21.20 1.78 25 S C C 15.03 16.62 15.41 32.72 127.89 155.13 -118.23 149.51 55.36 44.52 0.12 49.50 4.90 0.25 0.02 0.13 0.00 43.81 1.39 26 Y E E 56.00 11.67 19.57 32.61 129.71 -161.54 -126.98 148.44 4.75 95.22 0.03 4.21 0.48 0.03 0.02 0.02 0.00 86.56 8.68 27 H E E 39.38 11.89 17.28 30.82 110.12 -120.46 -81.54 125.88 12.83 87.11 0.06 11.96 0.61 0.07 0.03 0.03 0.00 82.14 5.17 28 V C T 63.61 11.46 15.32 27.72 93.49 -143.36 -66.21 -32.26 91.30 0.40 8.30 1.15 3.98 86.65 0.41 7.41 0.00 0.29 0.10 29 Q C T 118.39 3.16 17.25 20.80 95.64 48.26 -75.83 -36.27 88.48 0.39 11.13 1.50 4.32 83.45 1.51 8.82 0.00 0.25 0.15 30 W C T 129.77 5.88 16.62 23.12 101.53 23.13 -106.08 -3.66 88.63 0.55 10.81 4.11 6.05 78.44 1.39 9.42 0.01 0.36 0.22 31 E C T 91.17 10.80 16.61 28.12 95.83 -130.70 57.64 32.49 97.04 1.47 1.48 5.79 4.88 86.62 0.52 0.75 0.00 1.25 0.19 32 R E E 92.40 7.08 21.70 29.86 134.28 110.36 -131.54 153.76 6.32 93.50 0.18 4.05 1.63 0.72 0.09 0.11 0.00 74.05 19.36 33 C E E 10.38 20.11 13.83 34.81 111.64 -108.83 -72.99 132.71 14.41 85.54 0.05 13.93 0.45 0.06 0.03 0.02 0.00 72.48 13.03 34 A C T 44.77 9.84 19.14 30.20 93.84 -142.08 -67.88 -29.02 99.02 0.32 0.66 0.46 2.12 96.67 0.04 0.46 0.00 0.19 0.06 35 A C T 59.50 7.43 20.07 28.04 98.34 45.19 -81.84 -39.25 99.39 0.05 0.55 0.05 1.06 98.55 0.03 0.27 0.00 0.02 0.01 36 C C T 49.93 9.03 17.74 27.94 102.75 20.43 -109.56 -9.00 99.51 0.06 0.43 0.21 1.93 97.55 0.02 0.24 0.00 0.02 0.02 37 A C C 49.03 9.46 18.47 28.86 94.46 -122.15 76.28 12.12 98.20 1.50 0.30 72.75 11.02 14.28 0.13 0.15 0.00 0.64 1.03 38 Y C C 58.72 13.15 15.06 29.38 116.83 146.09 -79.64 138.65 89.65 9.91 0.44 76.68 12.42 0.55 0.30 0.19 0.00 5.60 4.26 39 P E B 53.92 8.86 18.41 28.22 113.16 -104.97 -66.84 150.63 42.50 48.74 8.76 25.95 8.40 4.59 4.83 4.03 0.30 18.50 33.39 40 R C C 112.75 9.41 16.16 26.13 109.28 -103.12 -70.50 136.14 71.59 3.63 24.78 48.41 11.41 11.13 6.18 19.33 0.00 2.25 1.29 41 A C G 47.90 11.13 12.80 24.62 100.21 -120.48 -70.26 -18.48 49.14 2.34 48.52 27.87 8.84 12.29 10.07 38.76 0.01 1.40 0.77 42 S C G 72.02 4.62 14.19 20.06 99.68 83.84 -77.58 -12.91 48.41 3.68 47.91 22.59 10.86 16.26 10.75 36.13 0.04 2.07 1.30 43 R C C 140.33 4.84 13.29 19.36 101.86 60.39 -89.42 3.45 53.86 6.73 39.41 31.14 11.97 11.78 10.67 28.12 0.05 3.75 2.52 44 R C C 107.40 9.84 9.51 20.03 111.33 90.39 -86.91 121.95 80.86 6.79 12.35 59.95 12.92 7.19 7.83 5.01 0.01 3.61 3.48 45 R C C 168.43 2.33 13.35 16.60 104.93 -147.30 -87.25 14.93 84.09 5.95 9.97 53.02 19.49 11.22 6.77 3.54 0.01 3.20 2.74 46 Y C S 130.53 5.49 11.31 18.20 109.80 53.63 -94.33 105.73 80.85 2.81 16.34 27.64 30.48 22.86 12.52 3.71 0.04 1.31 1.42 47 N C C 105.30 4.34 13.39 18.99 100.45 -108.50 -61.54 36.24 69.75 2.17 28.08 27.95 20.08 22.27 23.65 4.02 0.05 0.94 1.04 48 W H H 113.57 8.88 12.23 22.24 98.62 117.68 -80.39 -10.73 44.96 2.01 53.03 22.69 8.50 15.26 47.79 3.88 0.05 1.05 0.79 49 S H H 43.55 7.78 13.54 22.97 100.51 76.78 -71.96 -35.25 25.76 1.13 73.11 16.98 4.06 6.33 68.92 2.71 0.02 0.66 0.32 50 V H H 84.44 3.30 17.38 20.97 93.63 52.07 -65.81 -40.08 4.19 0.20 95.61 2.12 0.75 1.62 94.18 1.14 0.01 0.14 0.03 51 K H H 94.91 5.67 17.82 24.30 92.95 51.04 -66.28 -40.25 2.48 0.15 97.38 1.05 0.35 1.18 96.13 1.14 0.01 0.11 0.02 52 A H H 19.08 10.91 14.04 27.02 92.19 51.95 -64.35 -41.51 2.59 0.16 97.25 1.01 0.35 1.31 95.90 1.27 0.01 0.12 0.02 53 I H H 74.21 4.60 17.87 23.39 92.32 50.46 -64.13 -41.64 4.16 0.25 95.58 1.42 0.63 2.32 94.12 1.26 0.02 0.17 0.04 54 K H H 101.03 3.35 17.60 21.38 92.15 50.43 -65.23 -40.26 7.32 0.34 92.33 2.57 1.07 4.04 90.90 1.09 0.03 0.21 0.09 55 R H H 88.12 9.04 13.70 23.97 92.51 50.80 -66.65 -38.26 8.09 0.26 91.64 3.56 1.12 3.77 90.21 1.09 0.03 0.13 0.09 56 R H H 133.61 5.96 14.83 22.03 93.18 52.44 -67.81 -35.78 8.99 0.20 90.81 2.54 1.10 5.36 89.39 1.42 0.03 0.10 0.07 57 R H H 160.98 1.83 16.09 17.73 96.73 44.71 -76.95 -34.54 13.15 0.19 86.65 1.94 1.73 9.33 85.66 1.13 0.05 0.08 0.08 58 T H H 81.00 3.34 14.51 18.50 100.60 32.43 -97.01 -15.30 23.00 0.40 76.60 3.90 6.08 13.48 75.35 0.72 0.09 0.12 0.25 59 G C C 36.30 6.43 12.93 20.95 108.90 -123.05 78.86 34.91 93.78 0.78 5.44 46.99 29.33 17.39 3.48 2.01 0.00 0.34 0.45 60 T C C 70.23 6.35 14.19 21.57 109.97 109.72 -96.02 100.71 79.63 1.97 18.40 41.87 24.95 12.91 13.36 4.88 0.01 0.78 1.24 61 G C H 34.18 6.76 15.69 23.50 101.30 -110.03 62.36 -52.32 55.90 1.27 42.83 24.95 16.70 15.46 30.60 10.99 0.05 0.55 0.69 62 R H H 119.98 6.64 15.93 23.46 93.93 51.36 -66.99 -33.23 39.01 1.24 59.75 17.57 7.74 14.41 44.48 14.52 0.07 0.69 0.52 63 C H H 54.96 8.94 13.99 24.03 94.61 55.07 -72.16 -18.49 31.57 1.20 67.23 17.39 4.86 9.78 51.25 15.54 0.03 0.74 0.41 64 R H H 129.59 4.27 16.59 21.92 92.82 80.30 -64.78 -37.18 24.65 0.83 74.53 10.61 4.10 10.34 62.63 11.49 0.04 0.52 0.27 65 Y H H 110.26 5.84 15.96 22.80 93.19 51.43 -70.96 -32.06 17.57 0.63 81.80 6.88 2.56 8.32 71.48 10.11 0.03 0.45 0.16 66 L H H 65.59 9.02 14.08 24.28 92.73 60.35 -64.72 -38.29 8.68 0.38 90.93 3.99 1.36 3.54 83.85 6.89 0.01 0.28 0.07 67 K H H 113.47 3.39 16.83 20.78 92.42 53.76 -65.56 -38.72 10.72 0.47 88.81 3.81 1.46 5.58 83.37 5.30 0.03 0.36 0.09 68 V H H 72.26 3.52 16.39 20.56 92.93 49.51 -67.08 -40.26 11.16 0.62 88.23 3.68 1.85 6.14 83.62 4.06 0.06 0.45 0.15 69 V H H 54.01 7.11 13.66 22.55 92.82 52.24 -64.65 -42.09 9.64 0.57 89.79 5.41 1.92 3.04 86.58 2.54 0.02 0.37 0.11 70 N H H 78.31 5.26 14.29 20.80 92.11 51.86 -64.42 -39.02 9.06 0.49 90.45 5.03 1.08 3.40 86.05 3.92 0.02 0.41 0.08 71 R H H 142.17 1.94 15.01 16.96 92.80 51.10 -66.53 -37.86 7.81 0.32 91.87 2.56 1.09 4.28 85.32 6.39 0.03 0.26 0.06 72 R H H 131.92 3.35 13.88 18.11 93.99 50.19 -68.66 -36.77 10.55 0.31 89.13 3.05 1.49 6.10 83.59 5.42 0.04 0.21 0.09 73 I H H 78.67 6.39 10.99 18.88 99.13 46.60 -84.37 -22.63 21.55 0.61 77.84 7.37 3.65 11.30 72.38 4.65 0.06 0.32 0.26 74 A H H 69.85 3.27 11.83 16.33 96.19 72.00 -69.16 -32.28 37.53 0.81 61.66 11.15 6.57 20.93 55.54 4.91 0.08 0.37 0.45 75 N C H 106.43 2.42 11.92 15.15 99.95 46.70 -89.02 10.11 58.69 0.75 40.56 16.33 9.37 33.26 33.35 6.85 0.04 0.32 0.48 76 H C T 122.06 4.39 9.87 15.91 99.97 109.97 -72.72 12.17 69.23 1.46 29.31 25.46 12.97 31.56 17.40 11.07 0.03 0.66 0.85 77 F C C 145.06 3.17 9.49 14.21 103.94 67.11 -89.81 37.41 73.72 5.55 20.73 36.87 15.13 22.39 11.09 9.05 0.04 3.01 2.40 78 K C C 139.54 2.67 9.32 13.86 116.39 123.17 -98.96 136.96 80.06 8.65 11.29 54.27 13.82 11.68 5.74 5.52 0.02 4.88 4.07 79 T C C 103.03 2.28 9.09 13.33 116.33 -140.49 -97.40 136.40 91.81 6.24 1.95 68.35 20.31 3.22 1.05 0.91 0.00 3.69 2.47 80 P C C 94.89 4.15 6.74 13.01 114.24 -112.49 -71.72 145.99 93.82 4.65 1.53 73.32 14.12 6.37 0.56 0.91 0.00 3.23 1.49 81 K C C 166.40 1.03 9.28 11.20 113.99 -117.63 -89.43 136.31 94.83 4.27 0.90 91.64 1.89 1.58 0.38 0.33 0.00 2.40 1.77 82 A C C 85.49 2.74 9.92 14.52 111.42 -104.14 -71.23 141.40 99.78 0.20 0.02 99.72 0.10 0.05 0.01 0.00 0.00 0.10 0.02