# 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 44.56 10.38 11.28 22.68 119.15 -127.37 -89.79 145.14 99.91 0.08 0.01 99.38 0.54 0.02 0.00 0.00 0.00 0.03 0.02 1 P C C 73.59 4.07 13.43 18.85 113.82 -101.84 -66.09 146.95 98.80 0.09 1.11 98.48 0.33 0.40 0.33 0.40 0.00 0.03 0.05 2 P H G 91.90 5.63 9.90 17.13 95.98 -111.76 -61.49 -29.44 28.01 0.47 71.52 11.31 3.30 11.10 4.44 69.45 0.00 0.30 0.11 3 A H G 81.25 2.82 11.12 15.24 95.95 64.88 -72.73 -14.62 22.80 0.58 76.62 5.74 3.43 12.69 5.25 72.39 0.00 0.38 0.12 4 L H G 100.05 4.96 12.34 18.56 98.48 62.50 -86.33 -3.34 22.94 1.00 76.07 8.37 4.73 9.89 5.24 70.90 0.00 0.67 0.20 5 W C C 98.81 12.39 9.51 22.05 110.47 94.85 -88.42 114.91 71.82 6.20 21.98 40.28 23.55 8.74 5.77 14.93 0.02 2.46 4.24 6 D C C 82.15 3.85 15.57 20.38 109.40 -155.50 -98.15 105.19 93.09 3.97 2.95 85.25 6.16 1.47 1.98 0.88 0.00 1.47 2.79 7 L H H 80.60 8.83 11.68 22.04 94.11 -167.49 -63.66 -36.63 10.08 0.14 89.78 5.73 2.91 2.54 87.99 0.71 0.01 0.04 0.07 8 A H H 69.48 1.80 16.18 17.54 91.83 53.56 -63.85 -41.40 2.20 0.02 97.78 0.49 0.34 1.28 97.28 0.59 0.00 0.01 0.01 9 A H H 49.54 3.07 15.54 19.48 91.80 49.37 -64.62 -40.64 1.20 0.01 98.79 0.34 0.13 0.68 98.21 0.63 0.00 0.01 0.00 10 D H H 39.06 10.79 12.49 24.74 92.28 51.25 -64.76 -40.58 0.81 0.01 99.18 0.38 0.08 0.34 98.80 0.38 0.00 0.01 0.00 11 K H H 104.78 4.98 15.96 22.12 91.92 51.39 -63.60 -40.89 0.52 0.02 99.46 0.12 0.05 0.30 99.33 0.18 0.00 0.01 0.00 12 Q H H 109.62 1.43 17.59 17.57 91.96 50.08 -64.66 -41.21 0.82 0.02 99.16 0.14 0.07 0.53 99.03 0.21 0.00 0.01 0.00 13 T H H 59.31 5.16 14.76 21.36 92.28 49.98 -65.78 -40.58 2.14 0.02 97.84 0.32 0.14 1.51 97.62 0.39 0.00 0.01 0.00 14 L H H 56.68 11.20 11.69 23.82 92.71 50.58 -67.17 -35.16 5.52 0.03 94.45 0.86 0.43 4.04 93.50 1.14 0.01 0.01 0.02 15 Q H H 128.26 2.45 14.46 17.67 92.80 54.79 -69.71 -26.39 19.06 0.08 80.86 1.19 1.21 16.45 79.69 1.36 0.04 0.03 0.04 16 S H H 85.97 1.44 13.49 14.68 97.39 52.32 -86.40 -8.95 45.84 0.18 53.98 3.38 4.29 36.40 54.23 1.49 0.03 0.06 0.12 17 E C C 104.38 6.98 10.26 18.69 110.27 84.17 -86.37 120.96 83.27 1.21 15.52 36.42 32.22 13.62 14.72 1.72 0.01 0.35 0.94 18 Q C C 123.97 3.44 14.50 19.31 115.02 -133.25 -92.94 131.43 97.91 1.73 0.37 69.81 27.09 1.13 0.12 0.23 0.00 0.76 0.85 19 P C C 73.08 8.95 14.34 24.15 113.94 -106.08 -69.44 150.15 97.15 2.12 0.73 71.99 19.15 5.93 0.10 0.82 0.00 1.47 0.54 20 L C C 52.15 16.76 13.22 29.51 114.88 -108.38 -80.62 137.96 80.16 19.04 0.80 63.61 11.98 3.64 0.13 0.88 0.00 17.47 2.30 21 Q E E 86.00 9.02 21.53 30.87 118.92 -150.27 -104.38 134.86 42.68 57.00 0.32 38.03 3.50 0.51 0.09 0.27 0.00 55.22 2.39 22 V E E 44.64 16.20 18.33 34.38 117.80 -142.43 -99.77 130.46 24.32 75.58 0.10 22.08 1.84 0.17 0.03 0.06 0.00 74.84 0.99 23 A E E 14.30 18.63 17.62 36.31 125.32 -162.31 -109.02 150.52 13.80 86.16 0.04 12.65 0.97 0.08 0.01 0.02 0.00 85.89 0.36 24 R E E 112.34 8.01 23.65 32.45 124.62 -151.59 -120.54 139.69 7.05 92.89 0.06 6.68 0.45 0.06 0.02 0.03 0.00 91.35 1.40 25 C E E 21.55 20.84 12.69 33.27 110.92 -114.86 -76.71 127.02 18.82 80.75 0.43 17.70 1.21 0.24 0.16 0.22 0.00 79.02 1.45 26 T E E 72.23 5.60 20.15 26.48 101.37 176.56 -97.68 -28.66 47.01 52.37 0.62 18.99 25.24 3.15 0.06 0.56 0.00 51.36 0.64 27 K E E 111.12 3.79 21.60 25.87 133.63 4.56 -142.78 147.09 36.28 63.20 0.52 17.70 16.85 2.52 0.06 0.48 0.00 61.80 0.60 28 I E E 64.15 15.50 12.59 27.93 115.34 -133.32 -96.00 124.45 28.21 71.36 0.43 25.40 2.27 0.43 0.14 0.31 0.00 67.88 3.55 29 I E E 71.61 8.29 13.89 23.84 111.72 -159.27 -93.56 133.01 42.25 57.45 0.30 35.75 5.21 0.52 0.16 0.21 0.00 49.32 8.85 30 N C C 89.35 4.83 14.13 20.16 108.93 -66.36 -101.86 92.93 83.14 16.69 0.17 76.26 5.46 0.65 0.04 0.14 0.00 16.06 1.40 31 A C T 64.98 7.86 9.30 18.55 96.91 -166.95 -69.50 -21.46 96.04 3.27 0.68 21.26 25.64 49.22 0.08 0.69 0.00 2.66 0.46 32 D C T 130.86 0.63 12.70 12.00 97.85 51.58 -90.35 5.02 98.55 0.92 0.53 12.70 33.62 52.17 0.04 0.63 0.00 0.64 0.21 33 S C C 49.66 6.05 7.55 15.56 123.01 95.30 -105.16 155.56 95.93 3.38 0.69 57.80 34.32 3.64 0.13 0.67 0.00 1.42 2.02 34 E C S 169.54 0.60 11.92 11.75 94.87 -131.21 -72.28 -23.62 98.63 1.07 0.30 6.93 85.05 6.86 0.03 0.21 0.00 0.63 0.28 35 D C S 109.86 1.81 13.45 15.68 108.96 45.09 -111.26 86.95 97.53 2.28 0.20 10.58 84.11 3.17 0.02 0.15 0.00 1.56 0.41 36 P C C 43.17 14.64 9.20 23.87 115.32 -145.44 -67.96 143.99 92.39 7.18 0.43 88.36 3.38 0.86 0.09 0.34 0.00 6.04 0.94 37 K C S 106.44 6.34 18.22 25.58 100.06 -164.38 -88.94 -27.44 82.54 17.29 0.17 21.34 59.89 1.27 0.03 0.13 0.00 16.68 0.66 38 Y E E 48.79 14.32 17.00 32.09 134.59 9.82 -142.28 146.13 7.06 92.84 0.10 5.21 1.83 0.21 0.03 0.05 0.00 92.27 0.40 39 I E E 51.39 13.59 19.95 34.12 123.94 -159.41 -121.89 133.84 1.91 98.05 0.04 1.65 0.15 0.02 0.03 0.01 0.00 97.97 0.17 40 I E E 20.02 18.36 17.16 36.28 119.96 -160.76 -113.02 129.32 4.42 95.53 0.05 4.14 0.24 0.03 0.03 0.01 0.00 95.27 0.27 41 N E E 53.41 8.22 21.67 30.85 108.91 -134.83 -85.71 119.75 34.83 65.00 0.17 33.48 0.95 0.09 0.07 0.07 0.00 64.83 0.52 42 V H H 39.35 17.46 13.61 31.11 93.40 -147.91 -62.60 -33.08 10.93 0.55 88.52 3.41 1.47 5.26 56.74 32.59 0.02 0.44 0.08 43 K H H 124.92 4.85 17.68 23.62 91.73 62.37 -66.16 -31.47 6.42 0.20 93.39 0.86 0.65 4.23 60.02 34.01 0.03 0.16 0.03 44 Q H H 87.50 6.85 16.88 24.73 93.75 53.04 -76.42 -26.32 6.04 0.17 93.79 0.75 0.63 4.03 59.92 34.49 0.03 0.13 0.02 45 F H H 52.59 16.30 13.45 29.43 100.48 52.82 -91.97 -12.23 22.19 1.88 75.93 5.20 3.97 12.60 56.86 19.20 0.36 1.23 0.57 46 A C H 42.64 11.93 13.75 26.32 98.60 82.65 -68.67 -24.09 45.48 12.67 41.85 18.69 7.78 18.66 25.63 17.00 0.33 9.81 2.09 47 K C T 135.36 3.82 17.75 22.47 99.81 64.29 -82.46 -13.81 45.62 18.25 36.13 13.89 10.65 21.82 18.56 17.10 0.40 15.83 1.76 48 F E E 88.47 11.19 15.47 27.10 107.58 50.89 -99.09 34.94 31.40 36.74 31.86 15.33 7.45 11.07 17.33 13.65 0.33 32.62 2.23 49 V E E 53.11 14.61 14.57 29.23 114.79 103.06 -99.67 125.88 24.26 57.19 18.56 16.60 4.23 3.47 16.06 4.41 0.09 49.74 5.39 50 V E E 55.59 11.63 15.65 28.11 119.89 -171.53 -111.85 138.15 33.72 50.28 16.00 20.07 7.61 7.31 12.90 4.63 0.14 44.43 2.92 51 D C C 92.46 5.83 19.38 25.79 98.92 -9.55 -22.97 50.02 56.66 31.27 12.07 36.06 10.72 10.22 7.99 4.29 0.09 28.77 1.85 52 L C C 44.39 16.07 12.87 28.73 99.40 154.65 -86.20 -2.39 55.64 13.82 30.55 37.93 8.72 9.32 15.55 15.04 0.08 11.02 2.35 53 S C G 46.75 11.26 14.66 26.23 99.04 73.93 -71.11 -28.44 47.72 6.37 45.91 18.63 9.97 20.92 14.00 30.39 0.13 4.21 1.75 54 D C T 108.23 3.59 16.66 20.86 97.42 52.43 -82.81 -8.39 52.24 4.06 43.70 9.77 12.02 31.25 12.74 29.89 0.26 2.56 1.50 55 Q C T 108.46 5.91 16.98 23.56 103.76 46.82 -99.21 -2.68 53.65 9.55 36.80 14.99 12.90 28.12 12.38 22.13 0.43 6.35 2.70 56 V C C 36.89 16.47 11.65 27.91 119.50 88.74 -107.71 132.78 74.79 22.01 3.20 39.28 34.80 1.60 2.57 0.82 0.02 6.67 14.25 57 A C C 46.90 6.41 17.71 25.31 117.18 -123.71 -78.26 146.26 97.07 1.73 1.20 94.03 2.88 0.49 0.86 0.22 0.00 1.05 0.45 58 P H H 67.93 11.39 13.05 24.94 97.27 -110.29 -61.66 -23.09 46.35 1.99 51.66 22.18 6.75 17.44 27.74 23.93 0.04 1.19 0.73 59 T H H 89.16 4.17 16.44 21.37 96.54 71.79 -75.85 -23.08 43.38 1.84 54.78 10.74 8.89 23.07 29.76 25.51 0.18 1.06 0.78 60 D H H 71.83 8.37 16.55 25.62 101.15 56.30 -84.38 -7.61 38.12 2.60 59.27 16.51 8.02 14.02 31.65 27.32 0.08 1.48 0.93 61 I H H 37.97 19.00 12.80 30.38 99.09 66.37 -78.73 -23.66 38.75 2.92 58.33 22.17 9.92 8.81 44.29 12.06 0.08 1.61 1.06 62 E H H 100.93 8.60 18.13 27.08 96.83 69.22 -70.04 -30.73 37.59 3.00 59.41 18.81 6.55 12.81 40.01 18.80 0.10 1.92 1.02 63 E H T 111.38 5.81 19.54 25.96 101.73 60.59 -72.69 30.87 48.98 1.45 49.58 4.89 5.26 36.56 31.89 19.43 0.30 0.93 0.74 64 G C T 21.55 14.28 18.85 32.54 100.70 33.03 55.28 -4.76 62.38 1.72 35.90 7.17 6.96 46.89 21.67 15.26 0.11 1.25 0.68 65 M C C 37.45 18.18 18.09 35.91 117.28 107.76 -90.96 134.16 64.55 31.92 3.53 49.74 10.20 4.04 1.44 1.92 0.01 31.00 1.64 66 R E E 76.20 13.84 23.33 36.74 126.13 -169.48 -117.66 142.28 11.71 87.74 0.55 10.29 1.33 0.42 0.35 0.26 0.00 85.35 2.00 67 V E E 21.03 20.33 20.12 40.03 126.76 -164.76 -122.98 139.63 6.84 92.90 0.26 5.72 0.89 0.27 0.10 0.12 0.00 92.55 0.34 68 G E E 12.69 13.90 23.20 37.47 132.52 -165.72 -134.77 159.76 5.76 94.06 0.19 4.49 0.95 0.29 0.05 0.10 0.00 93.95 0.17 69 V E E 28.78 16.82 16.19 33.56 123.96 -143.77 -119.42 136.62 7.08 92.73 0.19 6.06 1.03 0.23 0.09 0.11 0.00 91.25 1.21 70 D E E 49.23 7.95 16.72 26.26 117.47 -141.20 -95.15 139.15 33.90 65.85 0.25 30.57 2.43 0.51 0.07 0.18 0.00 64.84 1.39 71 R C T 140.14 7.74 12.86 21.78 93.36 -133.13 -65.92 -26.92 92.19 3.30 4.52 4.24 11.10 76.37 0.27 4.74 0.00 2.83 0.45 72 N C T 128.12 1.00 14.66 14.64 97.47 48.05 -84.87 -22.22 94.55 0.79 4.67 3.94 11.55 78.47 0.31 4.94 0.00 0.55 0.23 73 K C T 124.35 5.19 14.04 19.49 102.30 22.94 -103.08 2.29 93.11 2.86 4.03 12.63 18.44 61.33 0.28 4.49 0.00 2.36 0.47 74 Y C C 104.82 10.84 12.81 24.40 98.99 -124.64 56.32 40.31 78.97 19.77 1.26 37.00 10.43 31.00 0.21 0.98 0.00 19.74 0.64 75 Q E E 82.84 7.41 18.70 27.22 124.33 140.12 -120.02 142.03 22.04 77.75 0.21 18.46 3.02 0.54 0.07 0.16 0.00 76.24 1.52 76 I E E 33.53 18.30 14.20 32.67 118.35 -152.15 -109.55 127.04 7.19 92.74 0.07 6.55 0.56 0.10 0.03 0.04 0.00 91.82 0.90 77 H E E 93.21 8.45 20.51 29.61 116.88 -158.49 -103.94 124.56 14.26 85.67 0.06 12.24 1.60 0.20 0.02 0.04 0.00 85.24 0.65 78 I E E 42.89 15.98 14.33 30.62 118.43 -162.60 -111.45 125.29 37.02 62.95 0.03 31.50 4.37 0.16 0.00 0.03 0.00 63.20 0.73 79 P C C 76.35 5.72 18.85 25.34 113.85 -124.56 -70.83 142.96 54.78 45.14 0.07 49.05 4.37 0.36 0.02 0.07 0.00 44.31 1.82 80 L C C 63.51 14.63 9.80 24.14 117.19 -132.47 -89.75 139.79 88.77 11.19 0.04 76.92 12.24 0.20 0.01 0.04 0.00 8.54 2.05 81 P C C 81.59 4.65 13.21 19.38 115.33 -102.50 -68.48 151.37 99.54 0.44 0.01 98.72 0.81 0.13 0.00 0.01 0.00 0.26 0.07 82 P C C 102.27 3.32 13.80 18.71 110.94 -96.93 -66.38 145.05 99.94 0.05 0.01 99.64 0.22 0.10 0.00 0.00 0.00 0.02 0.01