# 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 119.00 5.32 11.94 19.01 112.92 -163.89 -93.80 127.75 99.46 0.51 0.04 99.36 0.19 0.08 0.01 0.00 0.00 0.27 0.07 1 G C C 46.03 4.90 10.12 16.71 119.49 -155.91 -98.49 165.16 91.94 6.78 1.28 87.45 2.03 2.69 0.47 0.63 0.00 3.73 3.00 2 A C C 90.51 2.00 10.59 13.99 109.79 -97.23 -83.97 115.30 90.90 6.88 2.22 46.15 25.17 20.19 0.53 1.76 0.00 3.81 2.38 3 G C S 49.91 3.90 10.45 16.06 115.96 -2.68 101.81 -173.64 93.24 4.34 2.43 35.31 39.32 18.91 0.51 1.95 0.00 2.34 1.66 4 T C C 81.34 5.29 10.44 17.31 115.53 -57.02 -94.10 138.98 90.71 5.22 4.07 64.10 22.88 3.36 1.57 2.47 0.00 2.19 3.44 5 P C G 101.34 3.57 11.75 16.96 100.83 -128.20 -71.44 -15.41 50.53 2.45 47.02 25.26 8.00 16.42 4.05 44.12 0.00 1.42 0.73 6 S H G 77.52 4.12 11.91 17.38 102.78 64.07 -86.25 2.04 46.35 3.15 50.50 15.93 9.52 22.15 4.82 44.68 0.04 1.87 1.00 7 F C G 108.34 7.92 10.47 19.52 106.23 69.85 -95.96 25.98 48.39 5.12 46.50 22.39 12.53 14.92 6.08 39.24 0.09 2.71 2.04 8 G C C 30.27 6.93 12.21 20.64 126.06 -138.10 109.38 -174.72 79.22 4.49 16.29 46.29 23.22 9.91 6.60 9.32 0.02 2.04 2.59 9 P C C 102.66 2.71 13.06 16.69 103.42 -49.64 -71.82 107.43 68.51 3.46 28.04 29.28 17.12 23.13 8.40 18.62 0.05 1.72 1.68 10 R C C 151.15 3.82 10.83 16.25 107.21 62.38 -84.48 96.53 64.22 4.71 31.07 27.55 15.58 22.51 8.85 20.80 0.08 2.36 2.26 11 H C C 121.16 5.82 10.45 17.67 104.27 100.19 -83.89 39.43 69.30 4.25 26.44 31.78 16.53 22.18 8.34 16.89 0.05 2.06 2.17 12 N C C 106.38 3.96 12.50 17.84 105.13 85.51 -97.14 50.80 79.71 3.58 16.71 35.70 21.44 23.54 5.37 10.44 0.02 1.72 1.77 13 K C C 117.98 6.60 12.10 20.08 108.11 123.96 -89.41 87.43 82.13 6.13 11.74 41.26 25.95 15.77 3.98 7.08 0.01 3.13 2.80 14 T C C 82.06 5.95 14.29 21.44 105.06 109.01 -94.56 6.62 80.95 10.69 8.36 48.01 21.33 12.05 2.64 5.55 0.01 7.05 3.36 15 H C C 87.83 10.14 14.67 25.51 117.34 80.60 -105.96 126.14 73.16 22.26 4.58 49.88 17.13 6.44 1.30 3.29 0.01 18.67 3.28 16 T C E 43.99 11.58 16.11 28.83 121.40 -158.66 -108.69 138.34 50.33 47.69 1.98 38.46 10.12 2.35 0.75 1.33 0.01 43.63 3.34 17 I E E 75.78 8.43 19.29 28.56 118.12 -137.90 -100.84 135.34 14.66 84.97 0.37 11.31 1.57 0.16 0.33 0.11 0.00 43.93 42.58 18 C C C 13.38 18.21 10.84 29.71 110.00 -116.81 -73.45 126.45 79.02 20.87 0.11 79.06 0.89 0.16 0.04 0.05 0.00 16.49 3.32 19 R C T 150.98 3.98 16.84 22.19 93.91 -154.32 -69.08 -26.86 99.28 0.19 0.53 0.69 4.81 93.91 0.02 0.40 0.00 0.12 0.05 20 R C T 138.56 4.44 15.78 21.40 99.51 45.92 -82.89 -40.06 99.46 0.07 0.47 0.14 2.66 96.85 0.01 0.29 0.00 0.03 0.02 21 C C T 60.74 6.60 13.90 22.01 102.54 20.84 -108.56 -13.97 99.57 0.08 0.35 0.29 2.79 96.62 0.01 0.24 0.00 0.04 0.02 22 G C C 44.47 4.49 15.35 21.16 96.03 -117.53 84.13 5.96 98.53 1.22 0.25 74.86 13.20 10.45 0.06 0.22 0.00 0.68 0.53 23 N C C 66.68 7.63 14.57 23.99 120.03 134.55 -79.27 149.80 91.03 8.88 0.09 74.77 15.78 0.58 0.02 0.08 0.00 7.36 1.42 24 R E E 127.16 7.85 18.35 27.18 116.96 -126.65 -97.18 135.59 16.46 83.44 0.10 13.34 1.78 0.07 0.08 0.04 0.00 55.14 29.55 25 C E E 23.25 15.50 16.05 32.13 135.74 166.42 -138.45 157.57 36.78 63.16 0.06 31.43 4.52 0.19 0.01 0.05 0.00 63.09 0.71 26 F E E 60.39 11.06 18.45 30.88 126.61 -146.09 -122.13 142.99 14.71 85.17 0.12 12.15 2.18 0.21 0.05 0.09 0.00 75.62 9.70 27 H E E 54.51 10.61 16.11 28.31 111.42 -126.37 -84.73 122.46 21.71 78.07 0.22 19.40 1.15 0.20 0.15 0.10 0.00 67.04 11.97 28 I C T 81.27 10.10 13.95 25.12 94.50 -151.75 -68.31 -30.45 88.73 3.11 8.15 4.94 12.47 71.18 0.53 7.77 0.00 2.51 0.59 29 Q C T 130.17 2.05 16.02 18.03 98.47 44.13 -83.68 -28.72 87.93 2.86 9.21 4.91 13.04 69.95 1.16 8.12 0.00 1.90 0.91 30 K C T 106.01 5.05 15.87 21.58 114.64 15.41 -123.11 92.44 89.92 1.28 8.80 7.41 12.27 69.84 1.19 8.01 0.00 0.82 0.47 31 S C T 56.61 10.66 14.87 26.18 97.46 -132.17 -52.87 31.62 96.41 2.42 1.16 10.76 10.14 75.66 0.22 0.86 0.00 2.06 0.29 32 K E E 87.09 6.25 20.98 28.29 132.34 109.37 -127.57 153.07 14.72 84.91 0.37 10.02 3.51 1.00 0.18 0.25 0.01 60.44 24.58 33 C E E 14.28 18.51 13.06 32.27 112.54 -110.41 -74.86 134.80 18.03 81.91 0.06 17.19 0.56 0.07 0.04 0.03 0.00 63.03 19.09 34 A C T 49.72 9.32 17.67 28.18 93.88 -140.40 -68.33 -29.17 98.74 0.75 0.50 0.79 3.46 94.70 0.02 0.39 0.00 0.50 0.15 35 K C T 128.56 4.12 19.66 24.61 98.07 45.36 -80.52 -38.42 99.53 0.11 0.36 0.08 1.52 98.10 0.00 0.21 0.00 0.05 0.03 36 C C T 55.57 8.05 16.97 26.23 102.38 21.88 -108.57 -10.65 99.56 0.11 0.33 0.18 2.02 97.52 0.01 0.20 0.00 0.05 0.03 37 G C C 29.69 9.25 16.96 27.36 96.05 -117.02 82.11 6.71 92.27 7.50 0.23 68.47 14.02 9.64 0.09 0.16 0.00 3.26 4.36 38 Y C C 71.47 11.22 15.29 27.87 115.90 141.42 -77.49 137.83 86.40 13.41 0.20 74.62 11.75 0.40 0.10 0.12 0.00 8.27 4.75 39 P C C 55.13 9.88 16.80 27.65 112.91 -105.68 -67.15 150.92 51.92 45.74 2.34 39.25 8.41 1.54 1.41 1.08 0.02 15.68 32.61 40 D C C 61.39 8.24 15.12 24.66 114.07 -108.08 -79.97 142.91 94.10 2.50 3.40 83.90 7.84 2.30 1.28 2.04 0.00 1.33 1.31 41 A H G 66.75 6.90 12.80 21.25 93.57 -120.99 -64.07 -26.50 43.28 0.96 55.75 11.99 9.36 21.88 15.66 40.12 0.02 0.51 0.46 42 T H G 97.89 2.21 14.35 17.08 93.87 64.39 -71.96 -23.76 40.62 1.64 57.74 9.60 7.95 23.10 17.48 40.21 0.07 0.91 0.68 43 M H G 86.12 7.70 11.45 20.56 97.96 53.83 -86.06 -9.58 39.53 3.52 56.95 18.75 8.66 13.42 17.37 38.57 0.04 2.04 1.15 44 R C C 105.85 10.42 10.10 21.10 104.35 85.52 -81.68 43.84 69.89 5.41 24.70 47.64 12.25 9.76 15.96 8.92 0.02 2.76 2.69 45 H C C 136.72 2.67 13.73 17.33 108.87 104.41 -94.86 89.29 76.80 5.03 18.17 47.35 16.15 13.06 12.81 5.65 0.02 2.66 2.30 46 Y C C 127.87 6.11 11.00 18.46 109.98 72.36 -90.03 111.19 75.52 2.71 21.78 30.09 26.78 18.68 17.96 3.91 0.04 1.31 1.23 47 D C C 96.62 3.70 13.17 18.03 102.68 -85.17 -88.52 49.33 69.57 1.65 28.77 34.86 15.92 18.27 26.07 3.36 0.02 0.72 0.78 48 W H H 116.82 8.07 11.03 20.50 97.15 124.98 -81.59 -12.07 37.04 0.83 62.14 22.83 5.30 9.37 59.02 2.72 0.01 0.37 0.37 49 E H H 95.89 5.03 13.16 19.74 94.91 71.66 -64.41 -40.50 11.80 0.27 87.93 6.95 1.89 3.57 85.59 1.77 0.01 0.15 0.08 50 K H H 125.60 1.74 16.25 17.39 92.62 50.53 -65.51 -40.48 3.15 0.10 96.75 1.40 0.52 1.38 95.52 1.08 0.01 0.06 0.02 51 K H H 98.32 4.20 15.56 20.77 92.30 49.87 -65.89 -40.30 2.03 0.07 97.90 0.80 0.29 0.99 96.97 0.88 0.01 0.04 0.01 52 A H H 27.26 8.24 12.68 23.26 91.88 51.51 -63.93 -41.09 2.00 0.06 97.95 0.73 0.26 1.01 97.22 0.72 0.01 0.04 0.01 53 H H H 107.64 2.56 16.99 19.58 92.04 50.10 -64.74 -41.20 2.46 0.07 97.47 0.78 0.31 1.34 96.87 0.64 0.01 0.04 0.01 54 R H H 132.55 2.05 16.54 18.30 92.28 50.24 -65.34 -40.57 3.79 0.09 96.12 1.10 0.48 2.14 95.46 0.74 0.01 0.05 0.02 55 K H H 90.37 6.82 13.46 21.72 92.52 51.27 -66.06 -38.54 6.22 0.12 93.66 2.05 0.82 3.30 92.69 1.02 0.02 0.06 0.04 56 R H H 144.12 3.75 14.68 19.72 92.86 51.68 -67.57 -35.40 9.79 0.16 90.05 2.63 1.26 5.79 88.77 1.38 0.03 0.08 0.06 57 A H H 77.55 1.74 15.24 16.62 94.65 52.13 -72.89 -33.51 17.70 0.23 82.07 3.71 2.81 11.01 80.78 1.43 0.05 0.09 0.11 58 Q H H 109.93 3.16 13.90 17.76 99.72 44.97 -88.97 -14.14 37.10 0.77 62.13 9.63 10.95 16.88 60.42 1.34 0.08 0.24 0.46 59 G C C 32.37 6.45 13.03 21.13 116.28 -131.35 80.57 166.58 76.27 0.95 22.78 46.81 11.80 16.12 21.85 2.50 0.00 0.38 0.52 60 S H H 62.46 4.57 14.52 19.97 97.29 -86.02 -71.57 -34.92 37.97 0.71 61.32 21.50 8.82 8.63 58.12 2.31 0.01 0.26 0.35 61 G H H 35.82 4.38 15.14 20.68 94.29 52.36 -60.97 -41.70 15.58 0.25 84.18 6.68 3.50 6.36 80.63 2.57 0.03 0.11 0.11 62 E H H 98.07 4.42 15.03 20.61 92.65 51.82 -65.69 -39.31 6.51 0.13 93.36 3.00 0.99 2.78 91.07 2.04 0.01 0.07 0.04 63 M H H 90.12 4.34 14.98 20.43 92.42 51.36 -65.63 -39.87 3.51 0.07 96.42 1.47 0.49 1.60 94.59 1.79 0.00 0.04 0.02 64 R H H 132.92 2.53 16.29 18.91 91.98 51.26 -64.42 -41.04 2.75 0.04 97.21 0.90 0.33 1.43 96.04 1.26 0.00 0.02 0.01 65 H H H 102.66 3.28 15.68 19.70 92.06 50.25 -64.78 -40.99 2.72 0.02 97.26 0.67 0.26 1.64 96.46 0.94 0.00 0.01 0.01 66 L H H 82.66 4.48 15.29 20.77 92.08 50.74 -64.81 -40.76 1.97 0.01 98.02 0.48 0.17 1.13 97.61 0.60 0.00 0.01 0.00 67 K H H 118.06 2.66 16.64 19.56 91.89 51.16 -64.88 -40.79 2.12 0.01 97.87 0.35 0.14 1.45 97.68 0.37 0.00 0.00 0.00 68 V H H 76.04 3.12 16.44 20.01 92.21 49.14 -65.24 -42.15 0.77 0.00 99.23 0.16 0.07 0.44 99.17 0.16 0.00 0.00 0.00 69 T H H 60.28 4.12 15.65 20.89 91.93 49.65 -63.61 -42.60 0.42 0.00 99.58 0.09 0.03 0.22 99.54 0.12 0.00 0.00 0.00 70 F H H 100.69 3.60 15.92 20.06 91.93 49.34 -64.35 -41.23 0.42 0.00 99.58 0.07 0.03 0.26 99.49 0.16 0.00 0.00 0.00 71 A H H 49.10 2.96 14.81 18.74 91.53 50.87 -63.67 -41.12 0.58 0.00 99.42 0.07 0.03 0.39 99.28 0.23 0.00 0.00 0.00 72 K H H 105.30 3.18 13.79 18.00 92.15 50.50 -65.17 -40.03 1.26 0.00 98.74 0.15 0.08 0.90 98.43 0.45 0.00 0.00 0.00 73 L H H 95.90 3.44 12.58 17.03 93.04 49.18 -67.68 -37.77 3.46 0.01 96.53 0.36 0.23 2.63 96.00 0.78 0.00 0.00 0.00 74 Q H H 128.52 1.57 13.06 14.60 94.14 50.45 -71.91 -32.70 13.19 0.05 86.76 1.03 0.99 10.69 86.34 0.89 0.02 0.02 0.03 75 R H H 153.52 2.05 11.97 14.56 99.93 37.31 -96.04 3.55 44.00 0.49 55.51 7.25 6.69 30.11 53.74 1.66 0.07 0.17 0.31 76 A C T 74.07 4.12 10.19 16.04 101.39 -145.60 -1.54 23.95 82.61 2.02 15.37 27.00 17.87 38.37 11.12 3.77 0.02 0.94 0.93 77 Y C C 157.19 3.14 9.53 14.26 108.85 45.16 -96.60 85.02 80.17 9.53 10.31 39.51 19.04 22.72 5.37 4.25 0.05 4.93 4.13 78 A C C 67.79 4.08 8.48 14.64 117.73 149.46 -100.33 135.91 92.87 6.07 1.07 65.62 25.47 2.08 0.56 0.52 0.00 3.70 2.05 79 P C C 100.44 2.86 9.08 13.91 112.46 -107.97 -66.87 147.09 97.39 2.13 0.47 95.30 1.01 1.41 0.17 0.15 0.00 1.40 0.56 80 K C C 160.43 1.95 10.49 14.00 108.94 -109.17 -78.07 126.77 99.93 0.06 0.02 99.76 0.13 0.07 0.01 0.00 0.00 0.02 0.01