# 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 67.61 6.24 13.44 20.96 118.85 -154.53 -97.63 150.26 99.77 0.20 0.03 99.51 0.25 0.08 0.01 0.00 0.00 0.10 0.04 1 K C C 144.36 3.49 12.22 17.33 110.93 -122.91 -89.79 121.51 91.45 3.10 5.45 78.84 3.37 9.51 2.56 2.25 0.00 1.70 1.78 2 G C C 41.61 6.87 11.24 19.33 115.17 -89.23 86.46 -164.54 86.74 4.34 8.92 46.03 23.27 18.29 3.43 4.79 0.01 2.19 1.99 3 T C C 87.39 5.94 12.37 19.50 106.03 -57.73 -92.37 80.50 79.26 7.85 12.89 52.88 16.22 9.82 6.66 6.27 0.02 4.04 4.10 4 S C C 68.00 5.96 12.92 20.20 109.45 81.13 -88.73 114.64 69.36 6.76 23.89 44.45 14.31 10.68 13.05 10.93 0.04 4.01 2.54 5 S C C 67.42 6.24 13.16 20.68 107.15 -143.63 -91.07 44.37 65.68 6.53 27.79 38.57 13.54 14.10 15.69 11.71 0.06 3.93 2.41 6 F C C 102.66 8.95 12.42 22.26 104.01 106.45 -91.36 8.20 59.92 7.15 32.93 30.71 14.36 16.32 20.07 11.46 0.20 3.82 3.08 7 G C C 33.40 7.94 13.25 22.33 115.49 -127.58 70.42 -149.37 64.61 4.65 30.74 34.00 15.20 16.43 19.43 10.35 0.07 2.39 2.12 8 K C C 138.66 3.39 14.07 18.58 103.97 -22.30 -82.70 26.96 57.89 4.64 37.47 27.19 14.32 17.74 22.25 13.86 0.16 2.36 2.12 9 K C C 122.71 5.37 12.78 19.57 103.40 57.24 -78.58 4.24 58.09 4.26 37.65 23.69 14.56 21.19 21.78 14.40 0.20 2.17 2.01 10 N C C 85.92 8.10 12.28 21.36 103.14 54.89 -84.32 32.06 66.13 3.64 30.22 31.29 15.40 20.29 17.94 11.43 0.08 1.79 1.78 11 K C C 110.59 6.49 13.94 21.60 106.17 100.71 -90.12 62.82 72.02 3.83 24.15 39.68 16.91 15.58 16.06 7.92 0.04 1.86 1.95 12 R C C 134.45 6.70 14.73 22.51 97.79 62.55 -72.08 -16.89 67.30 3.98 28.72 35.16 16.34 16.28 19.89 8.40 0.06 1.95 1.92 13 N C C 80.31 8.76 16.13 25.24 98.63 60.20 -83.73 -10.27 62.24 3.32 34.44 28.98 16.51 17.64 24.04 9.60 0.09 1.68 1.47 14 H C C 75.07 12.84 16.00 28.65 98.58 61.88 -78.67 -10.76 54.73 6.68 38.60 27.25 14.85 14.06 27.14 10.30 0.21 4.06 2.14 15 I C H 66.83 9.84 19.04 29.40 97.63 69.22 -75.75 -30.89 44.42 17.04 38.54 25.11 10.77 9.96 27.92 9.43 0.39 12.82 3.60 16 L C H 49.47 12.70 19.48 32.37 95.96 54.41 -72.81 -33.13 38.55 25.76 35.69 21.31 10.52 8.83 26.35 8.15 0.74 18.12 5.98 17 C C C 19.87 17.78 15.70 33.36 100.58 54.88 -83.91 0.93 43.80 27.03 29.17 28.39 9.26 6.50 22.34 6.94 0.36 19.20 7.01 18 V C H 69.53 9.75 19.41 29.42 97.15 71.07 -72.02 -29.74 48.78 16.79 34.43 20.95 12.65 17.13 21.66 11.20 0.59 12.24 3.58 19 R C T 125.87 7.09 19.30 26.82 96.32 52.35 -76.81 -17.78 56.87 11.51 31.62 14.42 15.31 27.99 17.71 12.38 1.08 7.63 3.48 20 C C T 41.22 13.80 14.75 28.68 102.27 50.45 -95.30 -1.85 65.59 8.61 25.81 17.51 18.02 31.35 13.51 10.70 0.54 4.80 3.58 21 G C C 33.40 7.53 18.35 26.51 117.27 -80.20 88.89 -162.57 88.07 6.00 5.93 30.80 29.65 28.13 1.09 4.84 0.01 3.53 1.95 22 S C S 57.07 10.06 17.09 27.25 104.60 -28.86 -85.20 18.41 90.75 4.87 4.38 15.63 45.30 30.17 0.49 3.89 0.00 3.36 1.17 23 M C S 102.79 7.98 19.36 27.73 103.68 53.27 -94.18 21.54 76.01 20.30 3.69 28.83 29.25 19.02 0.49 3.39 0.01 16.61 2.40 24 S C C 22.07 14.69 16.37 31.87 124.62 118.90 -108.07 148.49 59.55 39.03 1.42 47.25 9.71 2.42 0.33 1.25 0.00 36.78 2.27 25 Y E E 59.36 13.22 17.53 31.73 129.39 -166.14 -127.60 145.86 18.97 80.48 0.55 15.22 2.54 0.51 0.30 0.33 0.00 70.58 10.52 26 H E E 49.87 10.94 16.74 29.22 112.56 -131.18 -92.47 125.81 23.07 76.46 0.47 19.11 2.32 0.54 0.27 0.25 0.00 67.01 10.50 27 K C T 108.03 9.28 14.63 24.93 93.29 -137.76 -64.70 -31.57 92.37 1.07 6.56 2.42 6.37 83.26 0.30 6.58 0.00 0.82 0.23 28 Q C T 125.56 2.53 16.55 19.17 95.94 46.65 -77.62 -31.33 91.31 0.78 7.90 2.56 6.71 81.86 0.76 7.29 0.00 0.54 0.28 29 K C T 100.97 6.80 16.21 23.53 106.68 23.49 -108.70 10.22 89.33 2.15 8.51 10.02 9.64 69.13 0.96 8.15 0.01 1.42 0.67 30 L C T 75.23 11.89 15.95 28.36 97.30 -136.08 -5.22 24.84 95.16 3.71 1.13 14.31 9.94 71.09 0.24 0.79 0.00 3.24 0.38 31 R E E 96.92 6.94 21.71 29.73 132.59 105.76 -128.53 151.68 12.87 86.77 0.36 8.71 3.21 0.93 0.21 0.21 0.01 58.49 28.23 32 C E E 12.16 19.36 13.60 33.68 112.51 -109.24 -72.66 136.13 30.72 69.15 0.13 28.72 1.00 0.14 0.07 0.07 0.00 53.84 16.16 33 S C T 49.99 9.72 18.45 29.24 93.36 -138.32 -68.25 -28.14 98.90 0.44 0.65 0.92 3.20 94.96 0.03 0.51 0.00 0.27 0.11 34 S C T 68.81 5.42 19.73 25.84 97.59 45.04 -82.34 -36.83 99.40 0.10 0.50 0.13 1.63 97.86 0.01 0.31 0.00 0.05 0.03 35 C C T 54.95 8.23 17.25 26.64 102.51 20.84 -109.18 -10.85 99.43 0.13 0.45 0.30 2.78 96.51 0.02 0.29 0.00 0.06 0.04 36 G C C 28.68 8.86 17.36 27.42 97.50 -115.32 85.05 6.82 95.07 4.48 0.45 70.78 13.90 10.19 0.20 0.24 0.00 1.93 2.74 37 Y C C 62.85 11.70 14.96 28.17 116.17 143.24 -77.23 138.22 90.52 8.71 0.78 77.47 11.44 0.92 0.49 0.34 0.00 4.18 5.17 38 P C C 55.78 9.51 16.84 27.52 108.18 -110.42 -67.15 141.27 54.30 29.50 16.20 28.82 15.15 9.68 8.52 7.09 0.70 10.64 19.41 39 E C C 84.65 9.83 14.44 24.96 111.80 -109.71 -80.98 140.81 70.49 3.85 25.66 43.49 14.07 12.76 13.00 12.81 0.02 2.13 1.74 40 K C C 129.59 5.01 15.17 21.33 99.30 -110.93 -71.29 -15.83 54.33 3.82 41.85 30.12 11.83 12.34 22.61 19.44 0.05 2.19 1.42 41 K C C 117.71 5.17 13.77 20.16 107.20 72.21 -87.24 90.88 46.79 9.79 43.43 26.85 9.51 11.11 26.18 17.03 0.14 6.51 2.66 42 L C C 78.23 8.96 11.31 21.30 104.90 55.36 -83.48 60.01 47.56 12.93 39.51 31.91 8.18 8.26 26.50 12.63 0.10 8.79 3.62 43 R C C 131.78 6.25 11.61 19.27 104.54 59.31 -84.45 25.75 59.59 8.42 32.00 39.99 9.28 10.52 23.69 8.24 0.04 5.84 2.40 44 N C C 109.92 3.27 12.01 16.65 107.10 54.23 -87.13 71.69 68.99 4.83 26.17 36.80 13.65 19.33 17.86 7.67 0.05 2.90 1.75 45 R C C 155.94 3.51 10.58 15.69 103.08 50.58 -86.68 26.71 81.18 1.98 16.84 40.99 14.78 26.11 10.87 5.26 0.01 0.93 1.03 46 G C C 51.00 3.88 11.26 16.49 102.33 -8.49 64.59 8.12 93.14 0.93 5.93 60.77 15.47 16.92 3.90 1.95 0.00 0.42 0.56 47 S C C 47.67 5.29 10.36 17.65 117.12 136.56 -84.23 147.39 91.80 0.75 7.45 75.82 12.58 2.74 7.10 1.00 0.00 0.27 0.50 48 P H H 95.40 2.70 12.76 16.55 93.52 -119.56 -61.66 -34.59 29.44 0.55 70.01 17.05 5.09 8.14 64.29 4.93 0.01 0.30 0.20 49 K H H 122.49 2.90 13.97 17.78 93.05 55.37 -66.30 -36.49 20.19 0.77 79.04 11.10 3.28 6.96 71.76 6.14 0.02 0.52 0.21 50 A H H 31.48 8.47 11.25 21.80 92.88 53.86 -65.70 -38.67 12.73 0.91 86.36 8.22 2.12 3.79 77.40 7.56 0.02 0.73 0.17 51 R H H 126.57 4.66 14.86 20.79 92.73 53.76 -66.18 -38.70 11.03 1.10 87.87 6.71 1.99 3.73 80.14 6.29 0.03 0.93 0.19 52 R H H 135.42 3.25 15.66 19.73 92.81 52.21 -67.77 -37.06 14.38 1.55 84.07 7.72 2.58 5.62 76.17 6.28 0.05 1.27 0.31 53 R H H 114.05 7.05 14.41 22.64 94.43 53.05 -70.35 -32.03 22.21 1.85 75.94 11.90 4.03 8.27 68.71 5.24 0.07 1.25 0.53 54 R H H 130.42 6.55 15.16 22.71 96.57 57.19 -74.17 -23.17 35.28 1.87 62.84 17.26 6.68 13.11 57.50 3.65 0.07 1.02 0.71 55 G C H 40.85 5.87 15.02 21.84 98.55 56.34 -73.21 -31.57 53.88 1.73 44.40 21.98 11.82 21.01 40.02 3.53 0.07 0.79 0.78 56 E C H 110.62 5.37 15.74 21.85 100.17 50.62 -85.76 -8.52 64.12 2.12 33.76 24.33 17.79 22.42 30.28 3.20 0.07 0.86 1.06 57 G C C 32.13 8.94 14.21 24.05 112.15 -134.24 70.63 -0.63 78.48 1.74 19.78 39.23 20.62 18.56 16.51 3.42 0.01 0.75 0.90 58 T C C 73.77 6.43 15.56 22.76 101.46 -37.16 -80.16 -19.14 61.72 1.97 36.31 36.28 13.76 11.93 32.38 3.82 0.02 0.84 0.97 59 G H H 33.45 6.82 15.86 23.64 97.28 55.28 -47.77 -41.02 44.38 1.67 53.95 21.62 12.18 12.85 46.30 5.48 0.07 0.82 0.68 60 R H H 117.46 6.71 15.70 23.11 94.08 52.72 -68.24 -35.59 29.23 1.57 69.20 16.10 5.89 9.05 60.67 6.75 0.06 0.95 0.53 61 M H H 86.38 6.68 15.20 22.89 93.56 54.16 -67.61 -34.46 20.03 1.12 78.85 12.56 3.20 5.61 70.28 7.27 0.02 0.75 0.31 62 R H H 127.27 3.54 17.16 21.30 92.79 55.37 -64.86 -40.35 14.45 0.71 84.84 7.17 2.40 5.80 77.94 6.00 0.03 0.48 0.19 63 H H H 83.70 6.59 16.02 23.70 92.66 50.74 -66.46 -38.97 11.69 0.52 87.79 5.01 1.86 5.67 81.83 5.11 0.03 0.36 0.13 64 L H H 69.47 7.26 15.56 24.00 92.17 52.47 -64.63 -40.52 6.29 0.20 93.51 3.16 1.06 2.55 90.33 2.72 0.01 0.13 0.04 65 K H H 106.51 3.42 17.39 21.31 91.88 51.56 -64.66 -40.26 5.71 0.18 94.10 2.44 0.85 2.76 92.14 1.66 0.01 0.11 0.04 66 K H H 104.25 3.83 17.62 22.00 92.15 50.02 -65.75 -40.59 3.59 0.18 96.23 1.45 0.63 1.78 94.99 0.99 0.01 0.10 0.04 67 V H H 57.27 7.28 15.22 23.90 91.96 50.90 -64.08 -42.67 1.67 0.08 98.25 0.71 0.26 0.74 97.68 0.56 0.00 0.04 0.01 68 R H H 118.38 3.92 16.81 21.33 91.90 50.14 -63.83 -41.26 1.65 0.10 98.26 0.56 0.20 0.90 97.54 0.72 0.00 0.06 0.02 69 R H H 120.91 2.50 16.66 19.20 92.37 49.95 -64.72 -40.72 1.90 0.10 98.00 0.47 0.24 1.23 97.03 0.94 0.01 0.06 0.02 70 A H H 42.33 5.55 13.32 20.84 92.35 51.09 -65.12 -39.97 2.91 0.06 97.03 0.63 0.31 1.94 95.93 1.12 0.01 0.04 0.02 71 A H H 57.30 5.78 12.62 19.76 93.08 50.57 -68.05 -36.37 7.39 0.09 92.52 1.31 0.70 5.31 90.83 1.74 0.03 0.05 0.04 72 R H H 167.98 1.54 13.91 15.36 93.95 52.52 -70.97 -30.89 18.35 0.14 81.50 1.85 1.55 14.75 79.90 1.76 0.07 0.06 0.08 73 N C T 110.09 1.98 12.78 15.14 98.79 42.58 -93.03 -0.20 57.45 0.46 42.09 5.37 6.33 43.72 42.20 1.86 0.06 0.16 0.29 74 G C T 47.87 3.77 12.19 17.43 101.56 -115.21 80.80 9.24 90.14 1.14 8.72 26.86 13.56 50.20 5.79 2.53 0.00 0.61 0.45 75 F C C 119.67 6.18 10.19 17.95 110.73 102.12 -87.25 121.27 81.42 7.59 11.00 55.08 14.03 11.71 6.94 4.32 0.02 3.78 4.11 76 K C C 128.01 4.08 11.69 17.38 111.10 -171.98 -100.05 107.99 83.09 5.30 11.61 62.18 10.31 10.06 8.14 3.91 0.01 3.31 2.09 77 G C C 49.39 4.23 12.21 17.59 107.05 -97.40 16.84 -92.91 73.77 2.64 23.60 34.20 16.60 23.30 17.53 5.90 0.02 1.44 1.01 78 N C C 110.56 3.81 12.62 17.43 100.47 14.30 -69.10 1.83 66.25 1.86 31.89 30.28 16.89 19.77 24.90 6.39 0.04 0.90 0.83 79 A C H 60.87 4.73 12.12 18.33 100.22 104.21 -75.81 -32.12 52.27 2.59 45.15 36.08 10.02 6.87 39.33 5.37 0.02 1.50 0.83 80 I H H 90.21 5.22 13.62 20.00 102.10 63.90 -75.07 -33.13 40.63 4.51 54.87 31.62 5.84 4.51 49.81 4.11 0.02 3.05 1.03 81 L H H 78.11 7.11 12.31 20.76 96.44 57.71 -69.86 -37.22 33.19 4.43 62.38 27.17 3.59 3.86 57.03 4.18 0.01 3.40 0.77 82 R H H 138.32 3.10 14.63 18.56 93.84 57.64 -66.60 -38.84 29.34 3.51 67.15 21.90 4.18 4.84 60.99 4.72 0.02 2.76 0.60 83 A H H 59.93 3.83 13.61 18.50 94.47 51.97 -68.24 -36.98 32.18 3.56 64.27 23.88 3.86 5.68 58.58 4.55 0.02 2.74 0.68 84 L H H 84.38 6.25 11.51 19.15 95.13 53.68 -69.08 -34.77 32.72 3.12 64.16 23.21 5.13 6.22 58.59 3.98 0.03 2.05 0.79 85 R H H 146.29 3.40 12.65 17.33 97.77 57.38 -71.30 -31.60 35.99 2.31 61.70 23.72 5.80 7.94 56.93 3.53 0.02 1.40 0.66 86 N H H 110.63 2.31 12.60 15.63 101.11 54.15 -79.40 -11.01 43.68 1.85 54.47 26.77 6.76 11.07 49.93 3.78 0.02 1.02 0.64 87 A C H 70.59 4.28 9.89 15.77 103.58 79.24 -80.21 -4.72 50.62 1.94 47.44 27.51 9.72 14.64 42.07 4.28 0.04 0.97 0.78 88 N C C 116.15 2.50 10.86 14.53 104.25 68.76 -88.06 31.14 61.93 2.48 35.58 34.30 12.35 15.68 31.06 4.33 0.03 1.23 1.01 89 T C C 88.55 3.85 8.80 14.51 112.23 125.99 -89.86 126.49 69.03 3.42 27.56 41.02 14.32 13.56 23.54 4.38 0.03 1.74 1.41 90 T C C 100.31 2.44 9.04 13.04 110.62 -145.15 -90.73 117.29 73.85 3.68 22.47 45.08 16.08 12.49 17.81 4.99 0.02 1.87 1.66 91 S C C 81.34 2.88 8.20 12.83 108.66 -148.29 -85.03 112.46 73.96 3.77 22.26 40.66 16.72 17.17 13.59 8.23 0.02 2.06 1.55 92 D C C 120.35 1.49 8.62 11.29 103.70 71.73 -88.31 18.08 76.14 4.34 19.52 39.08 17.43 20.75 10.04 8.52 0.03 2.42 1.73 93 S C C 81.02 2.89 6.95 11.68 107.15 104.44 -86.83 88.23 83.48 3.70 12.82 68.42 3.33 13.08 6.60 4.63 0.00 2.30 1.63 94 K C C 154.46 2.04 10.50 13.94 107.92 -153.98 -87.67 98.38 99.59 0.27 0.14 99.29 0.23 0.20 0.07 0.02 0.00 0.15 0.05