# 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 D C C 101.29 3.87 20.15 24.21 104.51 -137.36 -83.87 57.27 99.83 0.17 0.00 99.77 0.09 0.02 0.00 0.00 0.00 0.12 0.01 1 I C C 41.58 19.76 10.54 29.00 118.44 -158.30 -101.21 130.05 55.71 44.15 0.14 54.77 0.58 0.18 0.04 0.06 0.00 43.40 0.97 2 Q E E 102.97 4.53 20.53 26.08 123.04 -168.60 -117.86 136.71 24.61 75.15 0.24 22.67 1.43 0.31 0.09 0.15 0.00 74.21 1.14 3 M E E 59.50 18.61 12.70 30.33 120.69 -154.38 -106.53 133.35 20.87 78.87 0.26 19.36 1.14 0.25 0.10 0.15 0.00 77.53 1.47 4 T E E 66.91 7.42 19.42 27.75 125.02 -171.33 -121.76 142.90 31.54 68.15 0.31 27.57 3.06 0.53 0.10 0.22 0.00 66.59 1.93 5 Q C C 83.17 12.29 15.99 28.48 125.31 -157.15 -122.29 139.39 59.62 40.10 0.28 43.03 15.73 1.24 0.06 0.26 0.00 38.20 1.48 6 S C C 54.11 10.32 16.30 27.32 121.38 -144.05 -102.93 145.38 86.02 13.84 0.14 56.76 27.91 1.11 0.02 0.14 0.00 13.36 0.70 7 P C C 55.18 10.47 15.99 27.10 115.01 -0.75 -72.12 151.45 89.96 8.76 1.28 62.87 19.46 6.84 0.15 1.41 0.00 8.64 0.63 8 S C S 69.62 7.93 16.57 25.47 97.78 -148.21 -84.41 -20.99 79.33 19.68 0.99 27.78 44.08 6.87 0.09 0.96 0.00 19.36 0.86 9 S E E 58.79 6.40 19.98 27.60 134.13 16.45 -144.72 147.43 25.46 73.17 1.38 18.62 6.46 2.25 0.28 1.04 0.00 70.39 0.96 10 L E E 37.93 19.42 14.47 33.11 129.37 -174.57 -136.76 140.61 10.22 89.43 0.35 8.94 1.17 0.27 0.13 0.17 0.00 88.68 0.64 11 S E E 63.89 6.96 22.41 30.63 126.69 -165.45 -123.94 142.71 8.46 91.32 0.23 7.32 0.99 0.26 0.09 0.11 0.00 90.70 0.53 12 A E E 17.11 18.60 14.99 33.57 138.47 172.07 -147.04 158.09 19.62 79.97 0.42 16.58 2.38 0.57 0.13 0.26 0.00 79.40 0.67 13 S E E 55.40 5.41 23.32 28.78 122.35 -113.13 -95.03 153.36 38.47 60.68 0.85 30.60 6.69 1.82 0.23 0.66 0.00 58.06 1.94 14 V C T 53.35 16.87 13.87 30.28 109.92 -94.82 -63.96 134.66 73.15 22.76 4.10 11.88 21.05 42.19 0.54 3.42 0.03 18.73 2.18 15 G C T 42.27 5.91 20.00 26.64 97.98 23.37 89.98 -7.16 88.93 7.22 3.86 9.91 32.52 46.82 0.30 3.48 0.00 6.14 0.83 16 D C S 68.81 7.98 18.62 27.31 124.90 99.65 -95.68 157.42 87.92 9.62 2.45 18.66 55.14 13.93 0.20 2.27 0.00 8.90 0.90 17 K C E 111.61 8.08 19.91 28.71 119.65 -109.76 -96.45 137.40 54.76 44.60 0.64 44.84 6.44 1.87 0.08 0.58 0.00 45.63 0.57 18 V E E 12.58 22.49 14.01 36.54 125.53 -168.56 -124.27 137.44 6.33 93.65 0.01 5.87 0.25 0.01 0.00 0.00 0.00 93.69 0.18 19 T E E 64.47 7.67 25.11 33.26 118.59 -153.72 -109.11 129.12 0.97 99.03 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.04 0.02 20 I E E 6.25 25.17 16.35 42.16 120.18 -166.55 -114.64 128.89 1.70 98.30 0.00 1.55 0.07 0.00 0.00 0.00 0.00 98.36 0.02 21 T E E 47.86 9.07 26.76 36.45 121.59 -165.75 -112.39 134.85 6.86 93.13 0.01 6.21 0.26 0.01 0.00 0.00 0.00 93.45 0.06 22 C E E 5.01 25.32 16.55 42.21 128.07 -170.50 -126.94 142.32 10.19 89.78 0.03 9.06 0.67 0.04 0.01 0.02 0.00 90.03 0.16 23 H E E 86.52 7.46 27.36 35.56 120.51 -162.89 -116.94 130.89 8.32 91.57 0.11 7.69 0.56 0.09 0.05 0.06 0.00 90.39 1.15 24 A E E 10.51 23.66 14.10 37.27 122.73 -165.38 -105.59 146.70 39.85 59.54 0.62 37.01 2.13 0.42 0.31 0.34 0.00 56.98 2.81 25 S C C 46.23 8.32 19.88 28.74 117.72 -137.96 -88.07 163.46 76.77 20.99 2.24 56.73 15.41 4.33 0.57 1.80 0.00 19.14 2.02 26 Q C T 119.02 4.77 18.10 23.62 99.35 -77.23 -71.32 -6.60 85.03 3.90 11.08 12.80 35.31 38.05 2.50 7.59 0.02 2.63 1.10 27 D C T 96.97 4.56 19.66 24.66 102.33 39.64 -82.02 39.82 86.54 3.23 10.22 28.74 23.05 35.42 2.10 7.70 0.00 2.03 0.95 28 I C C 29.82 21.05 13.64 33.58 109.15 134.28 -89.60 105.17 76.76 8.28 14.96 49.40 15.21 12.02 3.71 11.41 0.01 5.04 3.19 29 S C C 40.72 13.42 19.54 32.57 107.21 96.24 -89.77 27.33 79.22 6.63 14.15 56.33 10.30 12.11 2.26 12.49 0.00 4.93 1.58 30 S C S 60.26 8.98 22.49 31.39 96.08 55.92 -82.59 -14.02 78.35 8.40 13.26 16.83 36.46 26.64 1.40 10.74 0.01 6.71 1.21 31 W C E 66.00 15.61 21.79 36.75 106.34 53.46 -101.57 10.08 50.62 39.84 9.54 20.29 14.45 18.54 1.02 7.86 0.02 36.82 1.00 32 L E E 4.65 25.65 18.73 44.59 127.25 117.95 -115.67 140.39 12.63 87.28 0.09 10.86 1.45 0.14 0.02 0.06 0.00 87.18 0.29 33 A E E 13.16 16.62 27.32 43.92 132.47 -174.05 -130.04 149.50 0.93 99.07 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.09 0.02 34 W E E 12.53 23.62 22.25 45.57 124.33 -147.15 -111.54 138.52 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 35 Y E E 26.11 16.75 22.73 39.61 132.13 -173.87 -130.80 150.34 0.91 99.09 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.14 0.03 36 Q E E 46.31 13.78 20.98 35.15 121.78 -150.12 -111.71 136.16 3.32 96.68 0.00 2.80 0.23 0.01 0.00 0.00 0.00 96.86 0.09 37 Q E E 56.52 13.66 15.18 29.41 119.30 -149.93 -103.21 133.58 30.60 69.37 0.03 27.80 1.84 0.08 0.00 0.02 0.00 68.76 1.50 38 K C C 99.49 6.00 15.13 22.53 119.48 -142.55 -96.18 144.24 97.50 2.47 0.03 95.29 2.34 0.17 0.01 0.02 0.00 1.73 0.43 39 P C T 104.02 3.75 11.06 16.85 109.59 -85.49 -58.64 134.46 99.58 0.13 0.29 0.44 3.70 95.46 0.01 0.28 0.00 0.09 0.02 40 G C T 69.19 0.28 12.67 10.38 95.66 17.93 82.77 -2.96 99.60 0.10 0.29 0.55 3.66 95.38 0.01 0.32 0.00 0.07 0.01 41 K C S 111.39 4.20 10.36 16.73 128.31 93.64 -113.60 157.93 93.37 6.27 0.36 34.90 57.41 1.20 0.07 0.29 0.00 2.27 3.85 42 A C C 75.85 2.50 15.96 18.93 116.05 -97.51 -69.30 148.85 97.27 2.70 0.03 86.92 10.36 0.20 0.01 0.03 0.00 2.06 0.42 43 P C C 47.91 17.13 10.66 27.03 115.05 -103.13 -65.60 145.02 86.46 13.50 0.04 83.99 2.33 0.19 0.01 0.03 0.00 12.75 0.69 44 K E E 105.05 6.41 20.92 28.25 123.00 -152.31 -116.97 138.93 17.95 81.96 0.08 15.33 2.71 0.19 0.03 0.06 0.00 79.90 1.79 45 P E E 53.17 15.52 17.67 32.77 112.34 -109.53 -68.80 136.54 5.17 94.81 0.02 5.04 0.22 0.02 0.01 0.01 0.00 94.51 0.19 46 L E E 26.11 18.10 20.14 38.01 101.41 176.01 -94.94 -34.28 13.83 86.13 0.04 5.84 7.87 0.17 0.00 0.02 0.00 86.02 0.07 47 I E E 20.37 19.32 20.78 39.91 135.39 8.83 -145.74 140.44 0.87 99.12 0.01 0.73 0.09 0.01 0.00 0.00 0.00 99.13 0.03 48 Y E E 56.80 17.32 21.28 37.78 127.91 -171.74 -129.25 137.49 1.95 98.02 0.03 1.73 0.10 0.01 0.01 0.01 0.00 98.02 0.11 49 Y E E 64.51 14.44 21.71 35.81 123.19 -165.57 -119.47 133.35 24.55 73.68 1.76 20.40 3.34 0.93 0.78 0.82 0.00 73.06 0.66 50 A C C 33.65 15.26 17.29 32.31 109.62 -149.40 -85.45 120.76 45.83 17.30 36.87 26.73 10.71 10.70 10.06 24.52 0.06 15.80 1.43 51 S C G 64.86 7.25 18.95 26.50 102.73 84.44 -85.70 -8.13 48.96 6.39 44.65 19.77 12.43 18.61 13.78 29.31 0.11 4.45 1.54 52 S C G 55.83 8.95 17.83 27.21 105.06 52.24 -96.21 26.58 47.74 6.56 45.70 23.52 10.80 15.11 14.75 29.76 0.08 4.15 1.82 53 L C C 51.87 16.88 11.97 27.85 109.64 106.03 -88.25 107.04 60.41 9.16 30.43 37.74 11.87 10.65 17.51 13.32 0.07 5.72 3.12 54 Q C C 114.14 5.38 16.03 22.73 110.37 -152.58 -92.23 113.64 66.63 10.52 22.85 36.80 13.45 16.85 13.60 8.93 0.09 6.63 3.65 55 S C T 76.26 4.99 15.12 21.35 110.08 -83.43 -88.84 113.13 81.43 4.79 13.78 21.25 19.72 41.25 6.95 6.09 0.04 2.93 1.76 56 G C T 49.83 4.97 16.25 22.33 102.99 -23.98 84.72 1.11 93.60 3.09 3.31 26.34 29.11 38.60 0.75 2.38 0.00 1.92 0.89 57 V C C 45.46 14.76 11.92 26.96 117.37 115.00 -99.73 131.08 89.05 10.16 0.79 57.85 29.81 1.95 0.31 0.50 0.00 4.87 4.71 58 P C C 64.03 8.40 17.07 26.52 109.67 -109.87 -66.84 146.93 89.17 6.50 4.33 58.88 15.74 14.38 1.02 3.61 0.00 4.68 1.68 59 S C C 63.45 10.70 16.23 27.00 99.90 -119.93 -77.81 1.78 84.80 8.24 6.96 46.14 19.98 19.21 1.22 5.96 0.01 6.00 1.48 60 R C C 114.01 9.20 19.76 29.13 104.04 87.28 -96.46 19.56 71.30 22.33 6.38 37.06 24.80 10.50 1.29 4.81 0.02 19.73 1.78 61 F E E 33.54 21.87 13.69 34.62 122.08 112.17 -108.54 138.64 30.26 67.76 1.97 23.85 5.99 1.94 0.87 1.18 0.00 64.03 2.13 62 S E E 53.32 7.62 23.17 31.81 132.30 -176.49 -134.88 154.89 14.97 84.44 0.59 12.56 2.09 0.63 0.26 0.31 0.00 82.97 1.17 63 G E E 23.40 17.95 16.02 32.74 139.45 171.12 -155.39 165.56 14.55 85.11 0.34 11.76 2.52 0.69 0.10 0.20 0.00 83.86 0.87 64 S E E 62.91 6.13 21.34 28.99 134.97 -166.56 -142.15 156.13 22.46 77.24 0.30 18.72 3.29 0.81 0.08 0.22 0.00 75.83 1.05 65 G E E 29.91 11.87 15.74 27.97 138.94 139.50 -150.14 176.66 43.17 56.47 0.36 28.45 13.66 2.85 0.05 0.37 0.00 53.44 1.18 66 S C C 74.28 3.85 20.98 25.44 117.42 -108.87 -118.30 128.60 63.23 35.77 1.00 35.45 21.98 7.92 0.16 1.05 0.00 30.25 3.19 67 G C S 31.05 11.54 18.54 29.79 108.60 -48.07 66.45 -123.64 96.81 2.14 1.05 4.45 54.81 37.72 0.04 1.07 0.00 1.63 0.28 68 T C S 57.98 13.63 17.09 30.61 98.22 -8.38 -98.97 -3.19 96.28 2.86 0.85 4.36 55.11 36.98 0.03 0.85 0.00 2.39 0.27 69 D E E 61.73 8.76 22.39 32.20 121.11 83.19 -108.32 132.93 38.84 60.76 0.39 24.86 13.08 2.39 0.06 0.45 0.00 55.99 3.17 70 Y E E 10.28 24.33 16.03 40.63 128.90 -174.27 -128.21 142.12 19.34 80.65 0.01 18.00 0.77 0.05 0.00 0.01 0.00 80.65 0.52 71 T E E 37.20 10.32 27.02 38.35 123.99 -160.11 -120.19 134.77 6.11 93.89 0.00 5.40 0.29 0.00 0.00 0.00 0.00 94.18 0.12 72 L E E 3.15 26.04 18.90 45.82 119.42 -163.20 -111.18 128.36 0.55 99.45 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.01 73 T E E 39.09 10.04 27.11 38.00 120.04 -163.95 -115.03 128.76 0.19 99.81 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 74 I E E 7.18 24.06 16.27 40.98 116.57 -164.07 -111.56 123.93 2.94 97.06 0.00 3.07 0.03 0.00 0.00 0.00 0.00 96.42 0.48 75 T C C 62.39 6.84 23.07 30.12 116.13 -171.40 -105.23 150.82 93.72 6.22 0.06 48.78 39.38 4.38 0.00 0.10 0.00 7.14 0.23 76 S C S 65.37 4.66 24.06 28.80 101.86 11.24 62.21 66.64 99.14 0.83 0.03 10.33 83.77 5.06 0.00 0.04 0.00 0.72 0.08 77 L C C 18.30 23.88 10.55 33.90 113.90 -145.21 -78.05 129.74 99.28 0.71 0.01 97.67 1.69 0.03 0.00 0.00 0.00 0.24 0.36 78 Q C C 80.65 4.54 23.90 28.26 130.33 -172.80 -125.75 156.04 99.88 0.11 0.01 99.45 0.44 0.00 0.00 0.00 0.00 0.02 0.07 79 P H G 71.16 12.55 14.74 27.59 90.97 -106.14 -58.43 -31.77 3.75 0.02 96.23 0.17 0.22 2.42 0.23 96.95 0.00 0.01 0.00 80 E H G 132.22 2.92 21.19 24.60 89.94 62.47 -71.05 -16.16 3.11 0.03 96.87 0.09 0.16 2.13 0.15 97.46 0.00 0.02 0.00 81 D H G 16.45 19.88 15.80 36.07 93.90 61.40 -88.88 -2.26 3.96 0.05 95.99 0.48 0.39 1.79 0.21 97.08 0.00 0.04 0.00 82 F C C 49.36 17.41 19.14 36.45 116.97 102.23 -80.46 136.31 89.11 10.64 0.26 85.77 3.52 0.11 0.03 0.23 0.00 9.94 0.40 83 A E E 15.27 15.97 22.48 38.36 142.38 157.67 -153.41 172.66 6.17 93.82 0.01 5.80 0.32 0.02 0.00 0.00 0.00 93.45 0.40 84 T E E 38.40 12.97 25.00 38.30 120.85 -92.37 -106.27 135.98 0.92 99.07 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.10 0.02 85 Y E E 9.03 24.55 19.44 44.04 125.52 -167.58 -117.70 140.39 0.48 99.52 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.55 0.01 86 Y E E 34.58 15.50 26.74 42.24 129.43 -167.45 -124.32 145.34 1.46 98.54 0.01 1.26 0.08 0.01 0.00 0.00 0.00 98.60 0.05 87 C E E 3.35 24.97 20.83 46.06 123.88 -160.21 -116.48 139.24 6.45 93.47 0.08 5.48 0.65 0.09 0.03 0.05 0.00 93.55 0.14 88 Q E E 35.84 14.25 25.49 39.73 127.33 -169.35 -124.00 142.83 4.57 95.30 0.13 4.00 0.35 0.08 0.04 0.06 0.00 95.27 0.20 89 Q E E 31.55 18.23 18.55 36.47 121.46 -153.28 -109.13 135.37 9.30 90.47 0.23 7.82 1.17 0.28 0.06 0.14 0.00 90.02 0.50 90 Y E E 85.93 10.68 18.02 29.52 118.02 -162.09 -111.65 131.70 35.30 64.30 0.40 27.59 6.62 1.44 0.08 0.33 0.00 62.86 1.07 91 D C C 67.11 8.89 13.28 23.25 122.10 162.48 -122.99 158.95 76.19 23.12 0.70 43.45 24.43 8.13 0.09 0.70 0.00 21.83 1.36 92 D C S 120.64 1.83 15.00 17.10 99.79 -71.65 -82.76 -6.80 97.35 2.08 0.57 15.31 61.95 20.14 0.04 0.60 0.00 1.63 0.33 93 L C S 88.92 5.49 12.52 19.81 123.31 53.29 -114.22 142.38 96.39 3.20 0.41 16.20 70.90 9.40 0.04 0.40 0.00 2.56 0.49 94 P C C 78.89 5.47 16.77 23.16 113.86 -78.29 -69.42 147.74 82.41 17.33 0.26 58.81 19.68 2.74 0.04 0.28 0.00 17.74 0.72 95 F E E 58.68 17.92 12.68 29.95 118.25 -127.56 -93.67 135.54 42.77 57.13 0.10 38.64 2.28 0.34 0.02 0.08 0.00 57.99 0.65 96 T E E 56.60 9.24 22.24 31.97 126.86 -168.80 -123.88 142.37 8.38 91.59 0.04 7.72 0.46 0.06 0.01 0.02 0.00 89.16 2.56 97 F E E 53.91 19.62 16.00 34.62 118.82 -143.11 -101.80 134.27 15.21 84.73 0.06 13.46 1.31 0.13 0.02 0.04 0.00 81.83 3.21 98 G C C 17.00 12.61 17.66 30.94 125.52 -132.89 -82.05 172.58 73.05 26.88 0.07 59.18 11.44 0.64 0.01 0.07 0.00 28.09 0.57 99 P C C 93.38 4.31 22.36 26.86 106.77 -69.26 -69.47 136.03 83.28 16.62 0.10 61.66 18.34 1.73 0.01 0.12 0.00 17.76 0.39 100 G C C 18.33 18.18 15.56 32.48 127.70 -120.84 -11.35 173.45 70.09 29.84 0.08 61.54 5.44 0.52 0.01 0.08 0.00 31.99 0.43 101 T E E 33.22 15.05 19.25 34.67 127.28 -110.87 -122.19 143.33 7.29 92.70 0.01 6.71 0.32 0.02 0.00 0.00 0.00 92.70 0.24 102 K E E 105.34 9.05 22.74 32.32 119.28 -139.60 -100.49 133.44 0.95 99.05 0.00 0.84 0.05 0.00 0.00 0.00 0.00 99.08 0.03 103 L E E 13.11 22.85 14.16 36.93 121.16 -163.71 -114.62 133.16 1.32 98.68 0.00 1.27 0.03 0.00 0.00 0.00 0.00 98.65 0.04 104 D E E 76.07 5.50 23.39 29.23 116.95 -155.54 -104.20 127.43 3.67 96.32 0.01 3.60 0.11 0.01 0.00 0.00 0.00 96.09 0.18 105 I E E 29.73 20.72 11.05 30.82 115.21 -160.16 -100.16 124.63 28.99 70.96 0.06 29.04 0.30 0.06 0.02 0.02 0.00 69.50 1.05 106 K C C 133.07 3.69 19.80 24.26 112.73 -160.95 -91.91 128.45 99.49 0.51 0.00 99.53 0.06 0.02 0.00 0.00 0.00 0.39 0.01