# 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 130.25 3.20 10.31 15.27 116.77 -165.55 -100.08 132.47 99.84 0.11 0.05 99.69 0.14 0.08 0.02 0.00 0.00 0.05 0.02 1 A C C 78.78 3.40 7.84 13.25 115.96 -144.14 -93.68 135.12 90.02 1.85 8.12 85.80 1.25 4.46 4.53 2.11 0.00 1.00 0.86 2 R C C 170.59 2.03 8.19 11.98 114.15 -154.16 -97.02 128.08 83.68 2.78 13.54 60.23 14.29 9.07 7.82 5.71 0.00 1.52 1.35 3 F C C 144.49 3.39 7.65 12.96 114.19 -151.79 -95.95 127.73 79.91 3.12 16.96 57.61 13.33 8.83 9.29 7.72 0.00 1.77 1.44 4 Y C C 150.52 3.97 8.29 14.20 115.42 -158.61 -100.95 128.83 79.37 3.51 17.13 60.07 11.65 7.39 10.29 6.93 0.00 1.93 1.72 5 R C C 158.23 3.26 9.51 14.68 113.34 -151.25 -93.35 127.69 80.80 3.10 16.10 60.17 13.04 7.34 10.38 5.82 0.00 1.65 1.59 6 R C C 157.89 3.64 10.10 15.66 111.50 -151.12 -89.87 124.71 81.81 2.71 15.47 61.56 12.85 7.19 9.07 6.44 0.00 1.40 1.50 7 R C C 133.54 6.63 10.71 18.81 114.42 -134.84 -88.55 133.64 84.22 2.72 13.06 58.85 16.30 9.12 6.50 6.43 0.00 1.43 1.36 8 K C C 135.21 4.53 14.68 20.56 105.92 -152.68 -88.94 45.32 84.91 5.21 9.87 61.38 15.41 8.35 4.13 5.48 0.00 3.16 2.09 9 F C C 83.52 10.64 14.47 26.01 125.74 110.14 -114.47 148.78 82.71 13.14 4.15 67.91 11.18 2.02 2.59 1.64 0.00 5.15 9.50 10 C C C 18.61 16.08 13.80 30.64 115.81 -111.87 -75.42 148.45 91.43 6.44 2.13 84.45 5.66 0.90 1.74 0.47 0.00 2.43 4.34 11 R H H 117.05 6.36 20.06 27.37 92.50 -118.01 -62.36 -33.42 36.87 0.57 62.56 2.69 6.62 27.24 53.13 9.00 0.61 0.27 0.44 12 F H H 33.92 16.32 15.38 31.99 93.16 52.75 -67.38 -38.26 40.22 0.69 59.09 2.15 5.33 31.19 47.90 11.43 1.09 0.34 0.56 13 T H H 36.40 14.00 14.54 28.69 97.11 43.54 -78.98 -37.30 34.92 1.99 63.09 4.58 5.90 22.85 48.08 14.42 1.93 1.09 1.16 14 A H H 64.81 5.71 15.50 22.45 92.37 60.77 -67.93 -29.17 37.96 2.80 59.24 5.13 6.60 25.16 45.41 12.55 2.05 1.37 1.72 15 E C T 119.99 3.74 15.69 20.29 95.45 52.01 -87.26 -1.46 72.99 0.64 26.37 2.39 6.07 63.53 18.68 8.26 0.11 0.32 0.63 16 G C T 45.21 4.29 16.53 21.82 98.87 -105.14 83.10 12.65 94.65 0.41 4.93 10.52 7.26 77.41 2.44 1.93 0.00 0.24 0.20 17 I C C 36.54 17.32 9.59 26.48 111.90 152.66 -85.00 122.66 90.63 5.12 4.26 84.37 3.66 2.52 1.32 2.82 0.00 2.83 2.49 18 T C C 93.89 3.99 18.95 23.89 101.30 175.76 -99.20 -15.23 91.46 4.34 4.21 52.64 31.08 7.51 0.68 4.03 0.00 2.75 1.31 19 H C C 115.95 4.58 21.06 26.56 125.59 34.35 -125.95 136.76 81.93 14.04 4.03 56.09 18.75 6.82 0.79 3.97 0.00 9.12 4.46 20 I C C 19.47 22.68 11.72 33.82 122.06 -170.25 -115.35 132.02 87.39 11.92 0.70 83.87 3.22 0.44 0.29 0.39 0.00 6.64 5.16 21 D C C 62.43 6.28 22.85 29.50 109.62 -149.78 -100.70 112.67 97.15 2.58 0.28 96.58 0.84 0.23 0.08 0.11 0.00 1.14 1.02 22 Y C T 50.60 20.11 12.71 32.47 93.19 -164.37 -69.57 -16.91 91.12 0.14 8.74 1.54 4.03 85.42 0.59 8.28 0.00 0.07 0.07 23 K C T 136.93 3.83 18.65 23.42 92.27 64.60 -79.60 -11.85 91.43 0.12 8.45 1.07 4.90 85.30 0.54 8.07 0.00 0.06 0.06 24 D C C 63.85 7.04 15.94 24.53 106.72 71.92 -104.27 93.78 93.98 1.52 4.50 78.29 12.52 2.28 1.23 3.82 0.00 0.52 1.33 25 V H H 52.11 15.87 12.23 28.06 93.55 -176.19 -63.59 -35.17 3.34 0.02 96.64 0.81 0.51 1.98 93.20 3.49 0.00 0.01 0.01 26 E H H 128.83 1.85 19.68 20.94 91.35 58.22 -63.54 -39.73 1.20 0.00 98.80 0.08 0.09 0.98 94.63 4.21 0.00 0.00 0.00 27 L H H 44.21 9.29 17.58 28.41 92.25 50.08 -65.32 -41.22 0.55 0.00 99.45 0.04 0.04 0.43 95.52 3.96 0.00 0.00 0.00 28 L H H 5.14 24.84 12.82 37.74 91.30 51.99 -63.74 -41.25 0.57 0.00 99.43 0.05 0.04 0.42 95.77 3.72 0.00 0.00 0.00 29 K H H 105.16 10.20 19.68 30.16 90.92 55.68 -63.52 -33.52 4.41 0.01 95.58 0.15 0.16 3.92 80.42 15.33 0.01 0.00 0.00 30 Q H H 114.64 3.19 23.38 26.31 91.77 56.09 -72.05 -24.02 25.90 0.03 74.07 0.33 0.67 26.03 58.36 14.56 0.02 0.01 0.02 31 Y H T 31.35 18.64 16.60 35.49 97.66 47.41 -97.80 -7.02 47.30 0.26 52.45 1.95 3.16 40.58 39.05 14.88 0.06 0.14 0.19 32 I E B 22.82 20.52 13.36 33.74 121.11 89.82 -96.98 139.12 4.99 94.88 0.13 2.84 0.49 0.01 0.14 0.01 0.00 8.22 88.29 33 S C C 32.15 8.92 15.74 26.35 123.81 -134.28 -81.13 172.60 96.52 3.37 0.11 96.94 0.33 0.10 0.03 0.03 0.00 1.80 0.75 34 E C T 158.64 2.01 14.93 18.11 90.63 -90.14 -64.06 -21.94 99.15 0.43 0.42 0.33 2.93 96.09 0.03 0.27 0.00 0.25 0.09 35 N C T 111.13 2.05 17.76 19.41 92.60 55.36 -87.69 -2.01 99.47 0.11 0.42 0.17 2.89 96.51 0.02 0.33 0.00 0.05 0.03 36 G C S 15.07 16.82 13.01 29.82 95.41 -108.42 82.57 8.31 99.51 0.28 0.21 10.27 88.54 0.84 0.02 0.11 0.00 0.10 0.12 37 K C C 98.94 5.23 22.41 28.63 120.52 135.86 -87.28 146.39 95.37 4.55 0.08 76.49 19.02 0.23 0.03 0.04 0.00 2.09 2.10 38 I E B 27.47 21.51 15.10 36.44 112.55 -112.15 -78.61 130.28 8.08 91.84 0.08 5.83 0.45 0.02 0.08 0.01 0.00 10.36 83.24 39 V C C 32.46 14.20 18.28 33.32 116.24 -134.84 -88.49 133.29 92.71 7.19 0.10 91.87 1.44 0.09 0.04 0.03 0.00 5.69 0.82 40 P C C 50.12 9.07 19.99 29.94 113.80 -106.24 -66.15 147.32 90.90 4.27 4.83 86.05 3.54 1.75 2.68 1.73 0.00 2.52 1.74 41 S H G 51.15 14.07 13.35 27.40 92.68 -119.21 -61.94 -25.67 48.26 1.50 50.24 15.49 10.50 22.84 16.97 32.57 0.04 0.77 0.81 42 R H G 168.45 2.14 18.48 20.89 91.64 64.79 -70.85 -19.50 44.88 2.73 52.40 12.80 9.46 22.91 20.12 31.83 0.17 1.47 1.23 43 I H G 68.40 11.67 14.35 26.51 98.24 57.54 -88.84 -8.73 47.20 5.07 47.73 18.95 12.96 17.10 20.91 24.98 0.27 2.61 2.21 44 T C C 44.35 15.89 12.91 28.03 107.40 65.71 -91.61 19.78 70.19 5.05 24.76 32.02 18.26 20.99 17.13 6.53 0.15 2.20 2.73 45 G C S 54.36 3.33 19.26 23.07 97.27 -109.18 81.88 6.57 90.86 2.28 6.86 22.49 41.56 27.67 3.08 2.96 0.01 1.09 1.13 46 T C S 34.57 15.98 10.46 26.22 123.44 110.26 -95.94 153.85 89.99 4.33 5.68 34.87 47.04 8.17 3.80 1.71 0.02 1.58 2.82 47 S C C 52.79 4.48 17.90 22.89 115.82 -100.22 -70.13 154.17 92.46 2.82 4.71 83.86 6.51 1.69 4.27 0.79 0.00 1.08 1.79 48 T H H 85.35 5.95 14.08 21.70 92.21 -110.49 -59.13 -37.44 3.15 0.02 96.83 1.00 0.57 1.39 96.58 0.45 0.00 0.00 0.01 49 K H H 132.04 1.89 19.16 20.46 91.72 53.68 -64.28 -40.33 1.22 0.00 98.78 0.21 0.12 0.76 98.52 0.38 0.00 0.00 0.00 50 Y H H 59.75 12.38 16.90 29.98 92.39 48.49 -66.23 -40.79 0.46 0.00 99.53 0.10 0.04 0.26 99.26 0.33 0.00 0.00 0.00 51 Q H H 37.44 17.06 15.90 32.69 91.76 52.17 -62.78 -42.17 0.16 0.00 99.84 0.03 0.01 0.08 99.79 0.09 0.00 0.00 0.00 52 R H H 135.02 3.18 22.96 26.01 91.68 50.17 -64.06 -41.17 0.17 0.00 99.83 0.02 0.01 0.11 99.80 0.05 0.00 0.00 0.00 53 Q H H 82.42 6.39 23.03 29.65 91.72 49.33 -64.90 -41.29 0.18 0.00 99.82 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 54 L H H 13.15 21.19 18.45 39.55 92.07 50.06 -64.56 -42.34 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 55 A H H 28.38 12.47 21.69 34.59 91.51 51.33 -62.95 -42.23 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 56 T H H 69.50 3.06 25.70 27.89 91.60 49.50 -64.43 -41.84 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 57 A H H 17.82 13.41 20.99 35.27 91.69 50.60 -64.15 -42.54 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 58 I H H 17.80 20.31 19.34 39.26 91.67 49.86 -64.07 -42.95 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.03 0.00 0.00 0.00 59 K H H 99.60 6.33 23.90 30.56 91.55 50.35 -63.24 -42.15 0.19 0.00 99.81 0.01 0.01 0.13 99.80 0.04 0.00 0.00 0.00 60 Q H H 83.19 4.62 23.30 27.93 91.66 49.44 -64.56 -41.73 0.24 0.00 99.76 0.02 0.01 0.17 99.74 0.07 0.00 0.00 0.00 61 A H H 10.37 15.87 15.88 33.10 91.66 51.17 -63.73 -42.06 0.30 0.00 99.70 0.03 0.01 0.21 99.55 0.19 0.00 0.00 0.00 62 R H H 89.46 11.32 17.28 28.93 92.03 50.79 -63.78 -40.67 0.53 0.00 99.47 0.03 0.02 0.43 99.19 0.32 0.00 0.00 0.00 63 Y H H 145.60 2.82 17.88 20.99 92.13 49.09 -66.45 -36.58 1.11 0.00 98.89 0.04 0.04 0.98 98.60 0.32 0.00 0.00 0.00 64 L H H 89.13 5.60 14.98 21.67 94.06 50.76 -79.19 -17.88 9.28 0.01 90.71 0.16 0.28 9.68 89.13 0.72 0.02 0.00 0.01 65 S C T 71.85 5.89 15.62 22.42 97.07 -96.07 68.51 3.74 58.54 0.04 41.43 0.48 1.25 56.53 40.72 0.97 0.01 0.01 0.03 66 L C T 90.09 6.56 15.47 23.11 97.78 100.70 -87.45 -13.28 77.76 0.40 21.85 4.85 11.70 58.92 22.39 1.63 0.02 0.13 0.35 67 L C S 51.23 13.48 10.27 24.10 117.62 69.59 -104.56 128.78 92.20 1.53 6.28 40.35 46.50 5.53 2.71 3.26 0.00 0.60 1.05 68 P C C 84.70 4.50 15.49 21.18 103.65 -133.52 -68.91 48.23 89.50 1.03 9.47 54.14 17.62 17.30 2.33 7.56 0.00 0.52 0.53 69 Y C C 135.62 6.90 12.38 20.60 112.91 -89.26 -94.76 123.25 81.01 6.11 12.87 53.22 13.29 14.16 4.07 8.95 0.01 3.01 3.30 70 T C C 69.45 8.01 10.60 19.99 119.37 120.40 -109.05 141.38 83.87 4.49 11.64 62.48 11.87 9.14 4.54 7.25 0.00 2.51 2.20 71 D C C 106.78 3.65 11.65 16.92 104.25 -147.59 -88.80 28.40 82.47 2.47 15.05 46.99 18.77 16.85 4.59 10.30 0.00 1.24 1.25 72 N C C 111.20 3.18 11.37 16.05 103.41 86.59 -91.38 31.28 82.09 1.95 15.97 42.44 18.34 21.60 3.83 11.81 0.01 0.94 1.02 73 H C C 106.96 7.81 7.91 16.77 110.32 118.98 -91.19 104.38 83.50 2.78 13.72 56.17 12.02 15.43 3.59 9.93 0.00 1.48 1.38 74 Q C C 136.24 2.20 10.37 14.21 111.62 -170.00 -98.40 114.37 93.04 1.71 5.25 82.09 2.40 9.33 2.07 2.30 0.00 1.00 0.80 75 G C C 53.76 2.86 12.67 16.90 111.12 -6.76 86.72 -21.75 99.90 0.06 0.04 99.38 0.30 0.25 0.02 0.01 0.00 0.03 0.01