# 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 P C C 86.48 5.25 13.98 20.71 112.63 -117.32 -70.85 144.69 99.90 0.04 0.05 99.75 0.11 0.08 0.02 0.00 0.00 0.02 0.01 1 R C C 146.56 5.39 10.70 17.91 112.55 -127.76 -88.82 131.74 81.65 3.44 14.92 75.91 1.71 5.03 8.91 4.76 0.00 1.75 1.93 2 S C C 61.08 5.50 11.08 18.22 118.78 -151.22 -99.14 144.78 64.39 8.01 27.60 46.76 8.75 8.60 11.74 16.03 0.02 4.87 3.23 3 L C G 102.41 7.40 10.21 18.82 97.69 -140.78 -74.95 -15.10 49.96 7.56 42.48 25.57 11.89 14.75 12.89 27.80 0.10 4.99 2.02 4 K C G 143.04 3.10 12.54 17.13 98.80 69.72 -79.83 -5.96 49.76 9.99 40.25 22.85 12.23 17.52 12.67 25.32 0.23 6.57 2.62 5 K C C 138.08 3.42 12.37 17.38 108.51 71.88 -91.66 75.35 61.23 9.49 29.28 25.88 20.03 17.62 10.46 16.66 0.33 5.09 3.93 6 G C C 32.76 6.80 11.43 19.81 129.23 -1.87 135.52 -176.81 88.81 4.24 6.95 36.92 30.74 21.66 1.63 5.02 0.00 2.28 1.75 7 P C T 98.59 3.90 14.59 19.55 96.52 -40.22 -71.68 -15.51 90.34 2.15 7.51 19.44 27.97 43.53 1.83 5.18 0.00 1.25 0.80 8 F C T 102.36 9.30 14.57 24.48 101.83 60.54 -93.52 4.91 71.79 17.70 10.51 26.25 19.69 28.68 3.69 5.94 0.18 10.77 4.80 9 I C C 48.41 15.53 12.06 27.62 117.26 102.81 -96.44 130.36 70.46 23.41 6.13 50.49 15.91 3.11 4.58 2.04 0.04 12.14 11.68 10 D C C 55.93 9.40 16.00 26.80 107.20 -136.00 -86.33 110.02 91.23 4.39 4.37 87.94 2.57 1.19 3.79 0.63 0.00 2.62 1.26 11 L H H 94.92 6.15 15.66 23.50 93.67 -166.58 -65.65 -34.07 5.25 0.04 94.72 1.69 0.64 2.76 93.88 1.00 0.00 0.02 0.01 12 H H H 115.20 2.65 19.08 21.49 91.69 55.14 -64.68 -39.82 2.52 0.01 97.47 0.42 0.20 1.79 96.46 1.12 0.00 0.01 0.00 13 L H H 24.81 14.77 15.89 31.46 92.22 49.89 -65.44 -41.73 0.90 0.00 99.10 0.16 0.06 0.59 98.04 1.14 0.00 0.00 0.00 14 L H H 33.37 14.87 16.05 31.49 91.72 52.00 -63.12 -41.63 0.43 0.00 99.57 0.08 0.03 0.26 99.29 0.34 0.00 0.00 0.00 15 K H H 114.87 2.30 22.63 23.73 91.60 50.72 -63.89 -41.59 0.42 0.00 99.58 0.07 0.03 0.27 99.52 0.12 0.00 0.00 0.00 16 K H H 91.55 5.98 21.36 27.71 91.57 49.89 -64.79 -41.44 0.38 0.00 99.61 0.05 0.02 0.26 99.59 0.07 0.00 0.00 0.00 17 V H H 11.78 19.65 15.72 35.66 91.79 50.09 -64.27 -42.71 0.20 0.00 99.80 0.03 0.01 0.11 99.81 0.03 0.00 0.00 0.00 18 E H H 87.17 6.36 20.98 27.90 91.32 50.94 -62.99 -41.76 0.20 0.00 99.80 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 19 K H H 108.52 2.00 21.83 22.15 91.64 49.75 -64.62 -41.53 0.33 0.00 99.66 0.04 0.02 0.22 99.65 0.07 0.00 0.00 0.00 20 A H H 14.32 10.78 13.88 27.19 91.54 50.85 -63.58 -41.51 0.61 0.00 99.38 0.10 0.04 0.38 99.36 0.11 0.00 0.00 0.00 21 V H H 55.73 11.16 13.29 25.23 92.36 49.69 -64.92 -40.78 1.60 0.01 98.39 0.24 0.12 1.11 98.25 0.27 0.00 0.00 0.00 22 E H H 150.12 1.05 15.64 15.86 92.25 50.93 -66.78 -32.83 5.95 0.02 94.02 0.34 0.35 4.99 93.97 0.33 0.01 0.01 0.01 23 S C H 77.47 1.87 13.14 15.27 94.75 48.26 -87.02 -4.92 52.16 0.10 47.74 1.42 3.25 44.92 49.50 0.78 0.02 0.03 0.07 24 G C T 59.51 1.78 13.00 15.79 95.28 -112.75 77.70 13.14 98.83 0.09 1.08 12.53 9.69 76.77 0.55 0.37 0.00 0.04 0.04 25 D C C 71.39 6.57 11.20 19.61 112.63 137.08 -88.74 125.19 98.36 0.53 1.11 76.57 16.24 5.36 0.27 0.97 0.00 0.25 0.35 26 K C C 137.08 6.00 13.87 21.68 99.67 -167.88 -94.44 4.63 98.29 0.86 0.85 77.22 17.32 3.48 0.15 0.88 0.00 0.41 0.53 27 K C C 115.17 3.96 18.63 23.83 118.95 118.47 -86.75 143.38 98.88 1.08 0.04 64.42 34.39 0.28 0.01 0.03 0.00 0.68 0.18 28 P C C 55.80 12.84 16.49 29.62 116.06 -102.52 -66.06 148.03 95.38 4.59 0.03 89.17 5.91 0.21 0.00 0.02 0.00 4.45 0.22 29 L E E 23.39 20.42 15.22 35.72 118.09 -133.12 -100.59 132.26 8.90 91.08 0.02 8.28 0.39 0.03 0.01 0.01 0.00 85.06 6.23 30 R E E 118.49 8.06 23.74 32.47 116.63 -145.02 -97.55 130.78 9.63 90.35 0.02 9.26 0.41 0.03 0.01 0.01 0.00 89.24 1.03 31 T E E 21.59 21.39 14.33 35.09 127.01 -168.38 -120.11 144.30 44.50 55.33 0.17 40.92 2.32 0.32 0.04 0.13 0.00 54.89 1.38 32 W C C 119.50 8.39 20.84 29.80 106.82 -159.47 -97.57 14.48 76.30 22.95 0.75 48.79 24.61 3.62 0.15 0.71 0.00 20.13 1.99 33 S C C 36.06 13.16 16.38 29.94 122.90 65.65 -108.85 142.16 87.20 10.19 2.61 56.29 23.63 7.28 0.50 2.41 0.00 7.69 2.19 34 R C C 126.75 10.33 16.24 26.99 99.01 -163.20 -84.90 -12.66 84.35 4.80 10.85 32.98 30.12 21.85 1.39 9.34 0.01 2.89 1.42 35 R C C 150.91 4.30 19.45 24.41 103.77 59.94 -90.74 26.74 83.77 4.20 12.03 32.11 30.24 21.87 1.35 10.68 0.00 2.53 1.21 36 S C C 30.72 17.00 13.74 30.18 118.38 110.35 -91.95 143.07 81.06 8.44 10.50 57.94 16.31 6.61 1.42 9.67 0.00 6.49 1.57 37 T C C 65.93 8.69 22.50 31.40 115.13 -140.05 -100.13 126.80 64.76 31.46 3.78 49.02 11.33 3.33 1.23 2.86 0.02 23.84 8.37 38 I C C 28.99 21.75 14.07 35.37 116.60 -151.03 -99.57 127.81 52.34 47.16 0.50 45.03 6.05 0.38 0.33 0.22 0.00 22.95 25.04 39 F C C 66.99 10.59 18.91 30.46 116.86 -152.02 -99.67 128.70 98.80 1.14 0.07 97.86 1.22 0.05 0.02 0.02 0.00 0.67 0.16 40 P H G 78.92 8.51 16.03 25.82 91.40 -124.94 -59.17 -32.18 13.36 0.16 86.48 1.13 1.07 9.59 1.15 86.93 0.00 0.12 0.01 41 N H G 107.82 3.79 19.91 24.62 89.81 64.06 -68.97 -15.60 13.03 0.10 86.87 0.40 0.72 10.81 0.98 87.00 0.00 0.07 0.01 42 M H G 14.64 21.50 13.39 35.38 94.47 57.81 -93.64 -5.10 11.75 0.17 88.08 1.35 1.18 7.28 0.97 89.10 0.00 0.11 0.02 43 I C T 64.54 13.83 15.59 30.05 112.35 115.72 -62.86 132.74 97.13 1.03 1.84 0.59 1.45 95.96 0.25 0.83 0.00 0.36 0.56 44 G C T 45.65 3.70 21.88 26.28 94.14 21.98 84.36 -2.73 99.51 0.18 0.31 0.32 1.66 97.68 0.02 0.19 0.00 0.11 0.02 45 L C C 26.55 17.90 15.28 33.68 120.27 131.10 -78.02 147.71 96.45 3.52 0.03 90.48 5.67 0.14 0.00 0.03 0.00 3.54 0.14 46 T E E 47.63 9.72 25.01 35.45 117.66 -132.74 -102.00 130.09 2.11 97.89 0.00 2.11 0.07 0.00 0.00 0.00 0.00 97.47 0.34 47 I E E 4.28 25.56 17.78 44.13 123.19 -169.14 -118.26 134.20 0.19 99.81 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 48 A E E 16.79 12.76 25.63 39.38 119.06 -147.94 -99.94 134.29 0.18 99.82 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 49 V E E 9.11 21.60 19.67 41.53 120.73 -160.49 -113.71 130.64 0.51 99.49 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 50 H E E 41.44 13.16 18.57 32.82 115.71 -157.23 -106.57 121.69 8.02 91.91 0.06 6.50 1.02 0.21 0.01 0.04 0.00 91.96 0.26 51 N E E 62.76 8.80 16.98 27.43 102.15 175.35 -108.68 22.79 48.71 50.59 0.70 32.68 10.79 5.24 0.08 0.72 0.00 49.73 0.76 52 G C T 42.77 6.72 14.82 22.27 98.27 -91.95 78.23 -13.43 98.53 0.57 0.91 2.92 39.64 55.92 0.03 1.01 0.00 0.37 0.12 53 R C T 181.01 1.16 15.29 15.85 103.77 41.53 -100.20 -26.87 98.37 0.86 0.77 3.02 45.20 50.21 0.03 0.80 0.00 0.59 0.14 54 Q E E 114.61 2.36 16.64 19.50 129.07 30.29 -130.09 148.49 35.83 64.03 0.15 26.00 9.58 0.92 0.02 0.14 0.00 62.51 0.82 55 H E E 91.10 14.17 11.64 25.55 120.23 -135.50 -104.41 134.25 9.62 90.37 0.01 8.87 0.43 0.03 0.00 0.00 0.00 90.29 0.37 56 V E E 49.02 9.53 18.23 29.38 120.53 -168.63 -122.39 126.84 2.99 97.01 0.00 2.66 0.10 0.00 0.00 0.00 0.00 97.21 0.03 57 P E E 72.80 8.60 20.09 29.31 114.97 -121.32 -69.97 139.72 1.75 98.25 0.00 1.60 0.03 0.00 0.00 0.00 0.00 98.36 0.01 58 V E E 13.87 21.20 15.24 36.48 128.39 -173.59 -128.37 142.05 0.58 99.42 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.42 0.02 59 F E E 93.60 7.22 25.39 33.10 115.67 -137.86 -93.78 128.02 1.81 98.19 0.00 1.71 0.05 0.00 0.00 0.00 0.00 98.14 0.10 60 V E E 6.72 24.84 12.90 38.43 113.67 -145.72 -95.25 124.37 34.68 65.27 0.05 33.30 0.86 0.04 0.02 0.02 0.00 65.16 0.60 61 T C C 46.62 5.80 22.27 28.40 133.73 170.12 -130.73 172.38 95.12 4.52 0.36 89.01 6.04 0.32 0.19 0.15 0.00 3.76 0.54 62 D H G 101.47 6.72 15.00 23.30 90.95 -97.21 -61.01 -31.05 25.79 0.21 73.99 1.49 3.76 20.65 12.24 61.65 0.01 0.14 0.08 63 E H G 144.68 1.60 19.06 20.25 90.97 59.89 -71.88 -21.34 24.62 0.17 75.21 1.07 2.25 20.88 12.84 62.78 0.00 0.11 0.07 64 M H G 27.94 18.27 13.03 31.32 97.13 47.54 -96.07 -9.50 22.88 0.79 76.33 2.98 3.00 16.95 13.70 62.50 0.03 0.53 0.30 65 V C T 44.80 17.18 13.13 30.13 112.80 111.37 -65.36 133.43 73.88 8.42 17.69 7.16 6.78 59.27 12.71 5.48 0.23 4.58 3.79 66 G C T 44.38 5.58 20.02 26.46 96.88 21.16 84.90 -3.98 85.89 2.26 11.85 8.53 9.18 67.77 7.69 4.45 0.03 1.52 0.83 67 H C C 76.55 10.56 16.02 27.32 120.08 117.54 -89.90 154.18 69.23 4.99 25.78 42.86 14.97 11.70 17.94 7.39 0.04 2.43 2.67 68 K C H 106.81 7.08 20.80 28.01 112.93 -106.79 -77.26 144.23 46.35 10.94 42.71 19.10 11.80 17.29 24.81 14.97 0.98 5.25 5.80 69 L H G 43.40 19.64 14.25 32.84 96.51 -102.45 -64.62 -25.85 38.54 3.42 58.04 7.36 7.62 22.82 26.98 30.88 0.70 1.96 1.68 70 G H G 33.49 10.47 17.82 28.46 95.36 51.72 -54.54 -18.94 35.01 1.75 63.24 7.35 6.05 20.96 23.87 39.83 0.18 0.98 0.77 71 E H G 107.36 5.81 19.48 25.95 93.50 69.99 -75.10 -21.82 43.55 2.38 54.07 8.39 8.27 26.14 19.43 35.02 0.21 1.42 1.11 72 F C T 68.26 14.50 14.93 29.45 100.63 43.11 -99.20 -4.67 54.93 7.30 37.77 15.07 14.77 26.32 16.02 19.43 0.77 3.63 3.99 73 A C C 32.04 14.64 12.54 27.42 119.88 80.27 -101.11 137.79 88.48 6.10 5.42 49.20 35.07 4.57 2.50 2.70 0.01 3.32 2.63 74 P C C 83.80 5.68 15.29 22.22 105.77 -119.00 -68.27 134.07 84.19 5.52 10.28 54.29 16.24 13.68 2.60 7.86 0.00 3.88 1.44 75 T C C 83.92 6.79 12.09 20.11 115.07 -109.37 -93.37 132.86 75.72 13.33 10.95 51.86 11.63 12.23 2.62 8.58 0.01 9.81 3.25 76 R C C 135.93 6.94 10.69 19.03 115.37 -155.37 -100.64 128.24 74.57 18.86 6.58 55.72 12.60 5.67 2.26 4.64 0.01 14.79 4.31 77 T C C 95.62 3.30 11.15 16.32 117.42 -156.16 -103.58 131.62 74.09 22.90 3.01 59.93 9.96 3.39 1.16 1.94 0.00 19.63 3.98 78 Y C C 142.55 6.16 8.10 15.91 114.53 -149.60 -94.79 128.31 81.27 17.79 0.94 78.54 1.51 1.41 0.41 0.41 0.00 14.12 3.60 79 R C C 165.68 2.75 12.08 16.63 114.98 -158.98 -100.99 128.27 99.73 0.26 0.01 99.69 0.09 0.03 0.00 0.00 0.00 0.17 0.01