# 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 74.78 4.37 13.59 19.30 114.45 -150.84 -90.57 132.75 99.86 0.12 0.02 99.80 0.08 0.04 0.01 0.00 0.00 0.06 0.02 1 L C C 110.87 5.52 9.50 16.59 109.51 -148.54 -88.57 112.15 89.40 4.16 6.44 80.53 2.26 6.95 1.40 4.62 0.00 2.83 1.42 2 K C C 135.52 3.98 10.90 16.71 114.26 -148.64 -91.36 132.59 84.24 9.93 5.82 54.63 16.43 13.18 0.88 5.29 0.00 7.00 2.58 3 K C C 144.31 3.54 12.64 18.13 115.44 -141.70 -97.55 131.80 81.49 13.71 4.80 50.50 22.59 8.64 0.94 4.07 0.00 8.64 4.61 4 G C C 30.96 8.87 12.90 22.78 132.40 -106.84 -139.92 177.36 89.07 10.34 0.59 50.21 36.05 3.45 0.11 0.54 0.00 7.90 1.73 5 P C C 77.15 7.64 16.83 25.16 105.89 -58.31 -71.65 132.71 89.00 10.40 0.59 44.20 36.88 8.18 0.07 0.62 0.00 9.16 0.89 6 F E E 78.23 13.46 16.00 29.41 117.22 59.75 -98.46 131.31 41.16 58.10 0.74 30.20 6.92 2.46 0.34 0.57 0.00 47.83 11.67 7 V E E 46.42 15.43 15.15 30.55 121.41 -169.32 -112.34 132.91 40.27 59.41 0.32 36.72 2.14 0.25 0.21 0.15 0.00 45.52 15.02 8 D C C 60.89 10.48 16.15 27.40 110.07 -130.56 -80.48 120.42 91.67 7.78 0.56 90.37 1.48 0.27 0.36 0.11 0.00 6.74 0.67 9 G H H 45.76 4.75 16.33 22.35 94.42 -144.77 -63.79 -31.81 17.36 0.06 82.58 1.82 1.99 13.49 80.10 2.51 0.03 0.03 0.03 10 H H H 113.73 3.12 18.81 21.96 92.29 58.75 -66.46 -36.38 9.31 0.04 90.65 0.95 0.76 7.54 88.10 2.60 0.02 0.02 0.02 11 L H H 16.77 17.80 14.37 32.50 92.53 51.91 -65.03 -42.09 1.97 0.02 98.01 0.53 0.21 1.19 95.99 2.05 0.00 0.02 0.00 12 M H H 52.54 12.65 16.75 30.03 91.76 51.44 -63.30 -41.57 0.63 0.01 99.36 0.19 0.06 0.33 99.02 0.40 0.00 0.00 0.00 13 T H H 76.05 1.89 21.86 21.89 91.60 50.22 -64.42 -41.84 0.50 0.01 99.49 0.12 0.04 0.28 99.40 0.16 0.00 0.00 0.00 14 K H H 82.50 7.28 19.80 27.79 91.85 49.58 -64.98 -41.40 0.49 0.01 99.50 0.10 0.04 0.29 99.44 0.13 0.00 0.00 0.00 15 I H H 15.40 19.09 14.43 33.84 91.96 50.21 -64.34 -42.56 0.40 0.00 99.60 0.07 0.03 0.23 99.55 0.12 0.00 0.00 0.00 16 E H H 94.23 4.78 19.64 25.02 91.65 51.19 -63.71 -41.09 0.76 0.00 99.23 0.14 0.04 0.45 99.17 0.19 0.00 0.00 0.00 17 K H H 113.43 1.92 19.77 20.40 92.05 50.18 -65.34 -40.48 2.48 0.02 97.51 0.30 0.16 1.81 97.23 0.48 0.00 0.01 0.00 18 L H H 31.68 10.97 12.90 25.80 92.76 50.77 -65.78 -39.04 6.11 0.06 93.82 0.94 0.59 4.37 93.17 0.86 0.02 0.03 0.02 19 N H H 72.37 8.97 12.63 22.63 93.48 53.73 -67.63 -34.48 21.29 0.22 78.48 4.14 2.01 14.42 77.97 1.23 0.03 0.10 0.10 20 E H H 144.44 1.24 14.00 14.92 93.50 55.76 -71.13 -28.10 41.78 0.48 57.74 8.03 5.99 27.49 56.09 1.91 0.06 0.19 0.25 21 T C T 88.52 2.62 11.71 15.21 100.94 49.88 -91.02 0.64 73.91 0.58 25.51 11.08 18.42 42.84 24.55 2.49 0.02 0.20 0.40 22 D C T 122.58 1.82 12.27 15.35 96.23 -115.42 52.31 32.69 93.88 0.37 5.74 23.65 20.56 49.98 3.18 2.22 0.00 0.18 0.21 23 K C C 116.71 4.71 11.74 18.15 112.45 135.26 -98.27 114.71 95.63 0.95 3.42 59.09 23.30 13.22 0.98 2.46 0.00 0.48 0.47 24 K C C 123.36 7.12 13.05 21.61 112.73 -149.82 -86.58 123.17 94.96 2.62 2.42 75.45 13.03 6.38 0.50 2.09 0.00 1.98 0.57 25 Q C C 88.05 8.04 17.20 26.16 122.79 -142.34 -106.95 143.13 84.46 14.42 1.13 63.93 17.57 2.44 0.24 0.90 0.00 13.83 1.08 26 V C C 57.42 13.05 16.94 30.40 117.06 -127.99 -95.23 131.48 52.40 47.32 0.28 47.36 3.88 0.38 0.07 0.17 0.00 47.13 1.00 27 V E E 23.35 19.04 15.89 35.22 118.47 -154.88 -104.99 131.10 17.43 82.49 0.07 16.61 0.75 0.07 0.04 0.03 0.00 81.41 1.09 28 K E E 106.20 8.07 22.91 31.68 116.48 -145.26 -94.99 130.48 11.23 88.72 0.05 10.67 0.52 0.06 0.02 0.02 0.00 87.91 0.79 29 T E E 24.83 20.45 14.44 34.24 128.19 -172.00 -121.67 145.61 31.84 68.04 0.12 29.67 1.49 0.17 0.03 0.07 0.00 67.26 1.29 30 W C C 129.51 7.75 21.41 29.62 103.41 -164.22 -99.78 -9.17 67.21 32.47 0.32 41.27 24.95 1.69 0.07 0.29 0.00 30.32 1.42 31 S C C 30.04 13.91 16.38 30.79 123.71 66.35 -113.74 141.53 83.52 15.45 1.02 62.50 17.63 3.21 0.16 1.08 0.00 13.85 1.57 32 R C S 125.65 10.11 17.97 28.41 99.19 -166.35 -90.92 -16.20 87.57 9.96 2.47 14.19 38.45 35.20 0.17 2.60 0.00 8.33 1.06 33 R C S 149.13 3.74 21.63 25.81 104.02 47.76 -100.22 53.71 85.71 11.98 2.31 17.76 34.70 33.32 0.12 2.61 0.00 10.63 0.85 34 S C C 17.22 20.05 13.46 33.07 126.68 148.20 -111.74 152.49 76.02 22.77 1.21 65.30 8.80 0.99 0.12 1.12 0.00 22.82 0.84 35 T E E 60.68 7.73 25.15 33.54 121.03 -139.99 -110.17 135.85 15.74 84.19 0.07 14.08 1.23 0.09 0.04 0.04 0.00 78.36 6.17 36 I E E 18.68 23.24 15.38 38.74 116.87 -151.32 -103.71 127.65 17.46 82.53 0.01 17.15 0.49 0.01 0.01 0.01 0.00 72.05 10.28 37 F C C 56.70 10.49 19.72 31.35 114.62 -131.40 -77.92 138.36 98.91 1.09 0.01 99.02 0.21 0.01 0.00 0.00 0.00 0.72 0.05 38 P H G 70.32 9.76 16.46 27.36 90.79 -120.94 -58.20 -30.83 8.04 0.06 91.90 0.43 0.53 5.75 0.64 92.59 0.00 0.05 0.00 39 Q H G 116.90 4.00 20.43 25.35 89.35 64.74 -67.33 -17.92 6.72 0.03 93.25 0.13 0.29 5.57 0.48 93.49 0.00 0.02 0.00 40 F H G 13.92 21.67 13.56 35.84 94.43 55.48 -94.44 -6.81 7.37 0.05 92.58 0.55 0.57 4.63 0.54 93.66 0.00 0.03 0.00 41 I C T 62.64 14.43 15.17 30.13 112.75 114.84 -62.02 132.63 97.83 0.92 1.25 0.57 1.14 96.82 0.15 0.50 0.00 0.29 0.53 42 G C T 46.87 3.49 21.62 25.70 94.10 22.13 84.82 -4.12 99.66 0.17 0.16 0.23 1.59 97.95 0.01 0.09 0.00 0.12 0.01 43 H C C 49.29 15.21 16.19 31.76 123.04 123.49 -88.29 152.26 96.05 3.91 0.03 88.33 7.39 0.14 0.00 0.03 0.00 3.98 0.13 44 T E E 47.15 10.58 23.91 35.12 118.91 -131.23 -106.07 132.14 1.72 98.28 0.00 1.76 0.05 0.00 0.00 0.00 0.00 97.96 0.23 45 I E E 4.86 24.77 17.93 43.29 125.43 -170.82 -121.71 139.20 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 46 A E E 17.59 12.69 25.44 39.17 117.97 -141.89 -100.22 132.32 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 47 V E E 7.34 21.96 18.95 41.35 120.95 -164.13 -115.92 130.65 0.45 99.55 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.01 48 Y E E 51.11 12.19 18.69 32.22 116.41 -154.71 -105.02 124.30 8.85 91.07 0.07 6.98 1.25 0.25 0.01 0.05 0.00 91.25 0.21 49 D E E 59.71 9.09 16.70 27.20 102.69 178.16 -110.58 32.79 45.11 53.58 1.31 21.19 13.27 12.03 0.11 1.35 0.00 51.29 0.76 50 G C T 44.74 6.04 14.79 21.71 98.71 -85.83 76.56 -7.44 98.33 0.46 1.20 2.51 29.40 66.23 0.04 1.40 0.00 0.30 0.11 51 R C T 177.93 1.41 15.02 16.27 103.36 42.70 -100.80 -23.09 98.35 0.74 0.91 2.86 37.12 58.35 0.03 1.00 0.00 0.51 0.13 52 K E E 135.46 1.89 16.76 18.76 126.89 35.51 -125.69 146.89 30.61 69.27 0.12 19.56 10.88 1.00 0.02 0.12 0.00 67.67 0.76 53 H E E 91.03 14.07 11.24 25.05 117.82 -126.08 -93.39 133.25 10.29 89.70 0.01 9.32 0.51 0.03 0.00 0.01 0.00 89.84 0.29 54 V E E 49.23 9.46 17.93 29.06 120.38 -167.92 -121.41 127.31 2.97 97.03 0.00 2.63 0.10 0.00 0.00 0.00 0.00 97.24 0.03 55 P E E 74.12 8.25 20.04 28.88 114.79 -118.79 -68.77 140.55 2.03 97.97 0.00 1.89 0.03 0.00 0.00 0.00 0.00 98.07 0.01 56 V E E 14.35 21.47 15.13 36.50 127.11 -172.26 -127.18 140.09 0.69 99.31 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.29 0.02 57 F E E 97.46 7.21 25.51 33.18 117.00 -136.19 -98.48 131.68 0.96 99.04 0.00 0.94 0.02 0.00 0.00 0.00 0.00 98.96 0.08 58 I E E 8.26 24.84 12.88 38.30 116.04 -148.98 -98.83 126.87 21.30 78.69 0.01 21.66 0.22 0.01 0.00 0.00 0.00 77.61 0.49 59 S C C 37.20 6.21 22.19 28.74 132.00 172.82 -122.99 170.90 93.48 6.43 0.08 92.65 1.33 0.07 0.02 0.04 0.00 5.54 0.34 60 E H G 123.09 7.62 15.08 24.11 90.98 -97.08 -60.23 -31.38 19.26 0.14 80.60 0.70 1.85 14.93 1.39 81.00 0.00 0.09 0.02 61 D H G 116.67 1.42 19.40 20.13 90.10 61.53 -70.97 -17.46 19.69 0.09 80.22 0.42 1.07 16.41 1.24 80.78 0.00 0.06 0.01 62 M H G 23.48 18.91 12.66 31.84 95.48 52.32 -96.17 -5.59 20.14 0.38 79.48 2.35 2.31 13.60 1.67 79.74 0.00 0.24 0.07 63 V C T 54.45 15.15 13.72 29.18 112.30 113.77 -63.28 133.61 95.09 3.04 1.87 3.00 3.53 89.06 0.52 0.88 0.00 1.31 1.70 64 G C T 46.94 4.28 20.70 25.87 93.96 20.77 84.52 -4.21 98.56 0.53 0.91 1.92 4.83 91.93 0.14 0.70 0.00 0.36 0.13 65 H C C 66.86 12.01 15.82 28.59 123.75 124.21 -88.23 153.45 95.34 2.72 1.94 78.44 15.06 1.74 0.76 1.11 0.00 1.12 1.76 66 K C B 95.92 7.47 21.55 29.39 116.81 -107.91 -79.60 147.15 53.35 40.85 5.80 38.30 7.25 3.02 2.98 2.41 0.02 6.71 39.31 67 L H G 38.37 20.66 14.12 34.11 103.68 -105.39 -61.67 131.93 34.76 1.27 63.97 3.60 4.90 25.84 6.08 58.20 0.05 0.79 0.55 68 G H G 35.14 10.38 18.82 29.36 94.33 36.15 75.46 -6.91 30.52 0.59 68.89 3.10 3.59 22.83 6.36 63.50 0.01 0.36 0.25 69 E H G 106.15 6.03 19.37 26.20 93.40 84.21 -76.26 -17.79 31.43 1.41 67.17 8.95 7.14 15.71 6.62 60.15 0.04 0.81 0.59 70 F C C 75.12 13.91 14.36 28.26 101.81 47.95 -100.28 -1.59 63.77 9.33 26.90 27.14 20.70 17.22 7.43 17.63 0.23 3.46 6.18 71 A C C 40.35 12.78 12.67 25.98 120.78 89.33 -97.76 140.92 91.79 5.85 2.36 55.19 34.67 2.31 1.08 1.23 0.00 3.22 2.30 72 P C C 84.51 5.55 14.30 21.23 112.40 -104.93 -68.48 146.62 90.27 6.04 3.68 75.53 9.66 4.93 1.17 2.54 0.00 3.77 2.40 73 T C C 88.04 6.68 10.26 18.53 115.28 -145.28 -98.81 134.23 85.92 9.82 4.26 70.44 9.78 4.94 1.45 2.85 0.00 5.46 5.06 74 R C C 157.40 3.94 10.22 15.97 115.57 -154.43 -101.37 128.82 85.45 10.27 4.27 56.25 22.75 6.63 1.34 2.96 0.00 6.55 3.53 75 T C C 105.51 2.19 9.51 13.35 114.67 -152.96 -99.53 129.78 83.87 11.87 4.26 57.92 19.15 6.98 1.27 3.07 0.00 8.34 3.27 76 Y C C 155.44 4.13 7.06 13.11 115.94 -152.19 -98.09 129.81 84.05 12.05 3.90 65.14 12.25 6.22 1.28 2.74 0.00 8.19 4.18 77 K C C 165.92 1.17 8.17 10.61 112.27 -155.38 -99.42 125.10 89.29 7.57 3.14 56.61 16.97 15.84 0.80 2.38 0.00 5.11 2.29 78 G C C 59.38 1.43 9.04 11.61 114.87 12.41 96.27 169.32 94.31 4.22 1.47 74.19 6.43 13.70 0.30 1.07 0.00 3.08 1.23 79 H C C 146.30 2.75 9.73 14.25 111.50 -74.18 -94.62 113.37 99.70 0.28 0.02 99.57 0.17 0.05 0.00 0.00 0.00 0.15 0.04