# 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 T C C 86.87 5.10 12.46 19.22 118.70 -163.68 -102.49 142.14 99.86 0.12 0.01 99.73 0.15 0.04 0.00 0.00 0.00 0.05 0.02 1 K C C 149.18 2.85 11.37 15.90 111.79 -126.04 -89.88 132.18 93.55 2.82 3.63 80.18 3.56 9.99 1.73 1.43 0.00 1.53 1.59 2 G C C 44.20 5.71 10.41 17.55 116.50 -45.75 95.70 173.99 89.51 3.94 6.54 45.56 27.15 17.62 2.58 3.36 0.00 1.94 1.79 3 T C C 85.78 5.14 11.59 18.14 110.85 -78.34 -90.04 131.64 82.33 7.23 10.45 58.79 16.60 6.40 6.25 4.37 0.01 3.53 4.06 4 T C C 90.32 4.89 12.46 18.75 104.21 -140.62 -83.95 17.06 67.20 5.99 26.82 44.25 12.17 10.60 15.99 11.20 0.03 3.71 2.05 5 S C C 68.37 5.52 12.57 19.31 105.58 59.60 -89.10 23.40 60.92 5.85 33.23 35.68 11.81 13.95 19.94 12.95 0.07 3.59 2.01 6 M C H 93.74 8.11 11.94 21.10 102.69 96.43 -85.55 1.56 51.03 6.59 42.39 25.26 12.01 15.46 25.91 14.83 0.27 3.74 2.53 7 G C C 35.77 7.32 12.90 21.41 107.52 47.45 33.95 -45.93 54.67 5.67 39.67 27.45 12.80 15.83 24.40 13.93 0.17 3.34 2.08 8 Q C C 116.52 3.95 13.18 18.42 108.69 40.79 -87.53 102.51 51.95 8.05 40.01 26.96 11.67 14.76 23.32 15.42 0.25 5.01 2.62 9 R C C 138.51 5.19 10.67 17.41 109.89 62.63 -86.60 113.59 53.18 9.44 37.38 25.39 12.19 17.26 20.63 15.13 0.33 5.57 3.51 10 H C T 137.75 3.58 11.08 16.19 103.63 -6.73 -81.15 44.23 72.47 3.54 23.98 20.26 15.20 37.14 12.80 10.89 0.09 1.92 1.71 11 G C T 53.50 3.08 12.62 16.96 103.08 -1.41 74.37 10.68 89.65 1.75 8.60 22.01 24.20 43.98 2.66 5.41 0.00 0.95 0.77 12 R C C 138.31 5.66 11.43 18.63 113.95 117.95 -91.75 129.02 83.95 9.56 6.49 41.89 27.62 15.06 2.07 4.20 0.02 5.36 3.78 13 T C C 82.44 5.71 13.59 20.59 110.51 -157.49 -98.25 106.70 79.75 15.48 4.78 52.00 18.07 9.40 1.55 3.41 0.01 10.66 4.91 14 H C C 82.57 11.42 13.46 25.41 117.77 100.75 -103.71 134.01 75.61 21.61 2.78 56.30 14.59 4.48 0.85 2.04 0.00 17.70 4.03 15 I C C 67.94 9.91 17.35 28.27 119.85 -147.06 -107.21 133.39 62.17 36.19 1.64 46.86 12.64 2.41 0.60 1.11 0.01 31.77 4.61 16 L E B 69.79 10.00 18.08 28.86 117.60 -133.68 -93.51 136.84 27.06 72.31 0.63 20.81 3.28 0.28 0.54 0.19 0.00 33.88 41.02 17 C C C 14.73 17.95 11.33 29.79 111.23 -116.46 -73.63 131.05 80.53 19.25 0.22 79.15 1.56 0.21 0.10 0.09 0.00 13.95 4.95 18 R C T 155.80 3.55 17.40 22.20 93.56 -147.75 -68.72 -29.18 98.58 0.26 1.16 0.70 5.61 92.57 0.08 0.80 0.00 0.16 0.08 19 R C T 134.44 5.03 16.42 22.45 98.19 45.02 -81.15 -38.77 98.90 0.07 1.03 0.15 3.21 95.93 0.05 0.60 0.00 0.04 0.02 20 C C T 52.90 8.38 13.78 23.64 103.21 21.49 -109.97 -12.88 98.83 0.17 1.00 0.41 4.11 94.67 0.06 0.61 0.00 0.09 0.05 21 G C C 38.89 4.98 15.87 22.20 98.81 -118.69 83.00 1.44 94.96 4.56 0.48 69.94 18.15 6.72 0.15 0.40 0.00 2.67 1.97 22 R C S 121.54 6.00 16.92 23.84 120.98 70.98 -94.22 156.22 90.59 9.09 0.32 30.54 54.63 5.39 0.03 0.39 0.00 7.66 1.35 23 N C C 85.02 8.60 18.43 27.58 113.20 -93.00 -87.77 125.96 61.08 38.50 0.42 31.73 26.56 3.80 0.07 0.50 0.00 31.72 5.62 24 A E E 18.10 15.53 15.40 31.75 129.20 140.25 -124.39 150.83 38.10 61.77 0.14 33.70 3.61 0.23 0.03 0.11 0.00 59.96 2.37 25 Y E E 63.53 11.24 18.11 30.79 128.92 -161.16 -124.67 146.41 7.30 92.64 0.06 6.43 0.82 0.06 0.03 0.04 0.00 84.43 8.19 26 H E E 47.12 10.86 16.09 28.69 111.59 -121.97 -84.04 126.84 20.01 79.88 0.12 18.10 1.30 0.15 0.07 0.06 0.00 73.01 7.31 27 V C T 75.63 8.95 14.40 24.63 93.45 -140.85 -65.51 -32.47 88.95 0.75 10.30 2.08 6.33 80.93 1.16 8.72 0.01 0.57 0.20 28 Q C T 125.74 2.29 16.17 18.51 95.34 47.70 -74.36 -34.10 86.69 0.65 12.65 2.52 6.89 77.55 2.54 9.80 0.01 0.43 0.27 29 W C T 128.00 6.14 15.22 22.19 101.64 22.83 -106.77 0.32 85.17 1.37 13.46 7.03 8.86 68.93 2.60 11.16 0.03 0.87 0.51 30 E C T 96.55 9.78 16.12 26.81 96.36 -134.42 55.75 31.60 92.89 2.94 4.17 10.55 8.15 74.21 2.14 1.97 0.04 2.46 0.48 31 R E E 93.92 6.74 21.16 29.01 134.03 100.00 -131.35 154.43 12.54 86.54 0.93 7.48 3.38 1.90 0.57 0.45 0.04 63.48 22.70 32 C E E 11.64 19.29 13.40 33.53 111.25 -107.86 -72.19 134.15 20.31 79.47 0.22 18.59 0.96 0.24 0.14 0.11 0.00 60.75 19.22 33 A C T 47.56 9.47 18.36 29.04 93.95 -140.21 -67.89 -29.06 98.44 0.53 1.04 0.74 2.68 95.31 0.14 0.67 0.00 0.33 0.14 34 A C T 64.09 6.01 19.41 26.11 98.46 45.54 -81.75 -39.14 99.13 0.08 0.79 0.06 1.23 98.23 0.09 0.34 0.00 0.03 0.02 35 C C T 54.57 7.89 17.02 26.20 102.96 20.52 -109.43 -9.30 99.37 0.07 0.55 0.20 2.06 97.36 0.05 0.28 0.00 0.03 0.03 36 A C C 52.18 8.76 17.50 27.36 94.74 -122.69 75.45 12.12 97.73 1.94 0.33 72.45 12.38 12.53 0.15 0.17 0.00 0.78 1.55 37 Y C C 64.78 11.91 14.46 27.78 115.88 144.79 -79.74 138.59 90.90 8.65 0.46 78.74 11.44 0.53 0.32 0.19 0.00 5.10 3.68 38 P E B 56.60 8.30 18.03 27.35 112.49 -105.80 -66.48 149.22 41.71 49.52 8.77 27.61 7.13 3.47 5.26 3.65 0.24 17.59 35.05 39 R C C 113.95 9.75 15.26 25.56 108.09 -107.08 -70.23 136.17 66.70 3.57 29.74 46.75 10.36 9.27 8.66 21.54 0.00 2.28 1.13 40 A C G 51.16 9.22 13.35 23.63 100.56 -116.43 -70.41 -16.08 48.73 2.66 48.61 27.89 8.85 12.03 13.45 35.34 0.01 1.64 0.79 41 S H G 66.43 5.41 13.81 20.46 101.70 71.90 -78.92 -9.78 47.44 4.79 47.77 24.93 9.71 13.76 14.82 32.44 0.05 2.87 1.43 42 R C C 130.49 6.00 12.65 19.90 101.08 65.27 -87.46 -0.26 55.11 8.82 36.07 34.51 10.99 9.75 14.92 21.40 0.07 5.06 3.31 43 R C C 118.50 7.99 10.01 19.12 107.78 81.96 -85.04 96.19 76.69 7.47 15.84 55.42 11.77 8.66 10.86 5.58 0.01 4.42 3.28 44 R C C 170.33 2.06 12.81 15.65 100.35 60.37 -83.49 -17.05 79.74 6.61 13.66 41.76 22.43 15.63 9.42 4.37 0.03 3.84 2.51 45 Y C S 137.33 4.52 10.86 16.80 108.06 49.39 -95.34 90.89 81.05 2.54 16.41 23.96 30.64 26.66 12.17 4.01 0.04 1.26 1.26 46 N C C 110.50 3.57 12.49 17.35 100.66 -104.07 -51.90 39.80 71.74 2.33 25.93 26.19 20.39 25.63 21.15 4.44 0.05 1.07 1.06 47 W C H 126.49 7.33 11.34 20.04 99.60 121.53 -83.49 -7.85 51.98 3.40 44.62 26.07 10.20 16.84 39.20 4.47 0.07 1.87 1.27 48 S H H 44.92 6.96 12.71 21.38 106.08 82.86 -75.99 -30.10 36.57 2.31 61.12 25.06 5.82 7.14 56.87 3.09 0.02 1.34 0.67 49 V H H 88.85 3.08 15.84 19.43 93.65 29.36 -65.34 -39.28 4.78 0.24 94.98 2.46 0.90 1.79 93.43 1.21 0.01 0.17 0.04 50 K H H 106.00 4.00 17.06 21.69 92.86 51.46 -66.29 -39.95 2.77 0.19 97.04 1.19 0.39 1.32 95.62 1.29 0.01 0.16 0.02 51 A H H 22.40 9.28 13.30 24.91 92.26 51.71 -64.55 -41.23 2.66 0.20 97.14 1.08 0.37 1.32 95.57 1.45 0.01 0.17 0.02 52 I H H 73.77 4.70 16.46 22.34 92.28 50.89 -64.02 -41.61 3.85 0.27 95.88 1.41 0.56 2.05 94.43 1.29 0.02 0.20 0.04 53 K H H 105.95 2.99 16.84 20.20 92.05 50.58 -64.96 -40.31 7.64 0.36 91.99 2.58 1.08 4.34 90.43 1.22 0.04 0.23 0.08 54 R H H 104.50 6.90 13.94 22.20 92.52 50.93 -67.32 -37.05 10.66 0.32 89.02 4.24 1.48 5.34 87.23 1.41 0.03 0.17 0.10 55 R H H 133.28 5.83 14.37 21.47 93.43 52.58 -68.94 -35.12 12.92 0.31 86.77 3.97 1.67 7.32 84.93 1.79 0.04 0.16 0.11 56 R H H 157.70 2.15 15.81 18.04 97.48 46.11 -77.27 -32.83 19.41 0.37 80.21 3.91 2.98 12.41 78.71 1.58 0.08 0.16 0.17 57 T H H 81.29 3.41 14.51 18.61 101.53 38.85 -94.09 -14.65 31.94 0.71 67.35 7.38 9.48 15.84 65.44 1.10 0.10 0.22 0.44 58 G C C 33.36 7.02 12.81 21.44 112.54 -128.73 77.85 31.80 88.80 0.97 10.23 50.27 20.79 17.39 7.97 2.60 0.00 0.43 0.56 59 T C C 73.15 5.59 14.56 21.12 103.30 -96.47 -89.83 -2.59 68.52 1.72 29.76 37.65 17.86 12.97 25.37 4.50 0.02 0.71 0.92 60 G H H 34.09 6.22 15.22 22.67 99.88 -35.85 39.46 -35.17 48.16 1.09 50.74 23.00 12.87 13.67 42.36 7.06 0.04 0.49 0.52 61 R H H 122.23 5.30 15.30 21.59 93.49 56.26 -66.57 -35.02 29.29 0.89 69.81 15.77 5.28 9.30 60.32 8.47 0.03 0.50 0.33 62 M H H 88.63 5.81 14.42 21.41 93.17 55.10 -69.23 -32.56 17.66 0.65 81.69 10.11 2.80 5.59 71.57 9.31 0.02 0.42 0.18 63 R H H 130.74 3.00 16.14 19.70 92.21 57.09 -64.57 -40.35 11.34 0.37 88.30 4.95 1.83 4.92 80.51 7.43 0.02 0.24 0.10 64 Y H H 113.92 4.10 15.39 20.49 92.53 50.31 -65.88 -39.28 9.67 0.29 90.04 3.65 1.38 4.87 83.20 6.60 0.02 0.21 0.07 65 L H H 75.10 5.83 14.21 21.45 92.18 52.80 -64.96 -40.24 6.49 0.19 93.31 2.93 1.01 2.77 88.85 4.26 0.01 0.13 0.04 66 K H H 112.77 2.75 15.82 19.00 91.82 51.91 -65.09 -40.01 8.63 0.24 91.13 3.01 1.16 4.60 87.79 3.20 0.02 0.17 0.06 67 E H H 98.97 2.47 15.85 18.46 92.25 49.96 -66.21 -40.33 8.64 0.27 91.09 2.84 1.31 4.79 87.95 2.81 0.03 0.18 0.07 68 V H H 64.83 4.43 13.51 19.61 92.16 51.34 -64.76 -41.84 6.62 0.24 93.14 3.45 1.17 2.39 90.31 2.45 0.01 0.16 0.05 69 N H H 81.10 3.83 13.47 18.56 92.28 51.71 -65.20 -38.68 6.98 0.22 92.80 3.39 0.76 2.95 89.23 3.43 0.01 0.18 0.04 70 R H H 143.88 1.75 13.92 15.67 92.58 51.59 -66.69 -37.37 7.45 0.15 92.40 2.15 0.90 4.22 87.51 5.05 0.02 0.11 0.04 71 R H H 142.71 2.04 13.06 15.57 93.55 51.88 -68.66 -36.39 11.36 0.22 88.42 3.11 1.54 6.62 84.16 4.34 0.03 0.14 0.07 72 I H H 91.29 4.19 10.47 16.20 98.68 49.25 -81.82 -23.37 24.02 0.66 75.32 9.09 4.08 11.52 70.74 3.89 0.04 0.33 0.29 73 K H H 134.95 2.52 11.12 14.73 97.50 70.21 -70.86 -25.52 37.08 1.03 61.89 15.77 6.58 15.87 56.69 4.06 0.04 0.47 0.51 74 N C H 108.77 2.17 10.88 13.84 100.04 48.67 -83.40 9.32 50.99 0.80 48.20 18.59 8.30 24.79 41.30 6.17 0.04 0.36 0.44 75 H C H 131.64 2.68 9.76 13.93 98.34 82.78 -74.12 -1.41 56.38 1.09 42.53 21.18 10.09 25.42 31.82 10.35 0.04 0.52 0.58 76 F C C 139.98 3.01 8.59 13.26 104.67 61.35 -88.60 37.43 58.36 3.32 38.32 28.87 11.27 18.98 27.19 10.39 0.07 1.79 1.43 77 K C C 142.59 2.51 8.27 12.55 108.93 113.31 -87.67 105.31 65.58 5.23 29.19 40.64 10.84 13.94 22.16 7.31 0.04 3.03 2.03 78 T C C 105.55 1.87 7.93 11.38 112.76 -142.48 -94.94 124.38 74.22 4.63 21.15 37.30 14.05 23.20 15.90 5.20 0.03 2.62 1.69 79 S C C 91.95 1.48 8.13 10.92 109.69 -70.35 -85.15 109.76 89.75 1.69 8.56 63.60 3.73 23.09 5.83 2.04 0.00 1.04 0.67 80 L C C 122.32 2.86 9.13 13.69 107.72 -97.93 -87.06 91.50 99.85 0.12 0.03 99.74 0.11 0.06 0.01 0.00 0.00 0.06 0.01