# 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 G C C 33.75 7.56 19.56 27.65 113.11 -101.31 93.24 0.33 99.14 0.86 0.00 98.90 0.20 0.03 0.00 0.00 0.00 0.86 0.01 1 V E E 47.23 18.63 11.81 29.17 122.39 -72.34 -108.98 135.84 27.68 72.31 0.01 27.69 0.26 0.02 0.00 0.00 0.00 71.71 0.31 2 E E E 103.55 4.72 20.08 25.65 121.53 -162.61 -114.78 135.64 2.22 97.78 0.00 1.99 0.08 0.00 0.00 0.00 0.00 97.88 0.04 3 I E E 64.84 17.57 12.50 29.32 122.65 -159.05 -116.24 131.97 0.52 99.48 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 4 E E E 87.54 6.43 19.48 27.07 125.68 -173.28 -126.55 137.99 0.40 99.60 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.01 5 T E E 67.51 11.94 15.48 27.85 111.89 -130.92 -84.35 125.15 1.73 98.26 0.01 1.68 0.04 0.00 0.00 0.00 0.00 98.21 0.05 6 I E E 69.72 11.03 16.44 28.25 101.27 178.06 -93.22 -33.21 25.59 74.37 0.04 16.23 9.24 0.41 0.00 0.04 0.00 73.77 0.31 7 S C E 52.02 7.77 18.77 27.52 128.74 3.87 -145.96 131.48 51.92 48.05 0.03 23.64 28.53 0.56 0.00 0.03 0.00 46.66 0.58 8 P C C 76.36 9.53 17.71 27.84 113.95 -117.45 -69.97 147.66 82.13 17.59 0.28 67.07 10.55 2.77 0.04 0.31 0.00 18.40 0.86 9 G C C 19.93 17.39 12.54 28.84 123.10 -127.35 -86.53 168.05 90.65 8.56 0.79 63.91 19.97 6.70 0.13 0.89 0.00 5.60 2.78 10 D C C 97.73 3.93 20.68 24.85 98.91 -124.50 -92.58 1.78 89.19 8.46 2.36 53.43 23.94 11.77 0.38 2.41 0.00 4.47 3.59 11 G C C 28.19 15.07 12.90 27.51 97.26 -120.01 76.07 5.13 90.45 4.19 5.35 34.07 33.57 22.17 0.42 5.95 0.00 2.38 1.44 12 R C S 152.98 3.61 19.26 23.76 95.56 112.47 -77.02 -21.91 89.80 3.96 6.24 30.73 40.31 17.94 0.45 6.78 0.00 2.49 1.30 13 T C C 69.87 8.55 19.44 28.35 109.53 45.62 -106.65 29.51 85.69 9.34 4.97 51.52 23.34 9.89 0.52 5.13 0.00 5.72 3.89 14 F C C 58.04 18.69 17.37 35.08 121.35 100.61 -97.74 141.96 91.57 8.37 0.05 72.50 18.91 0.16 0.02 0.03 0.00 5.51 2.87 15 P C C 11.62 22.20 14.40 36.79 116.22 -106.03 -67.89 150.13 95.05 4.93 0.02 95.21 0.46 0.03 0.01 0.01 0.00 2.51 1.78 16 K C C 118.58 3.97 23.07 27.42 122.92 -129.03 -92.22 154.67 96.83 3.13 0.04 95.09 0.95 0.08 0.01 0.01 0.00 0.35 3.52 17 K C T 126.13 8.05 15.18 24.66 110.20 -81.31 -59.95 134.97 99.50 0.25 0.24 0.15 1.57 97.96 0.01 0.12 0.00 0.09 0.10 18 G C T 46.41 3.68 19.14 23.67 95.68 24.05 88.01 -6.13 99.82 0.07 0.11 0.22 1.58 98.07 0.00 0.08 0.00 0.04 0.00 19 Q C C 52.87 11.95 16.14 29.25 120.86 126.77 -76.89 151.66 94.57 5.41 0.02 91.24 3.38 0.08 0.00 0.02 0.00 4.98 0.29 20 T E E 57.40 10.24 22.10 32.66 123.34 -135.49 -108.97 140.66 3.28 96.72 0.00 3.37 0.06 0.00 0.00 0.00 0.00 96.23 0.34 21 C E E 4.78 24.15 16.83 41.39 133.45 -176.06 -133.61 151.49 0.24 99.76 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.75 0.00 22 V E E 40.31 10.47 26.12 37.59 118.29 -140.00 -108.83 128.75 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 23 V E E 2.90 25.96 18.05 44.97 121.33 -167.49 -115.36 131.27 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 24 H E E 52.73 10.22 26.50 37.53 116.66 -156.91 -104.44 127.85 2.38 97.61 0.00 2.17 0.10 0.00 0.00 0.00 0.00 97.71 0.01 25 Y E E 9.45 24.51 17.50 42.05 131.12 -176.56 -128.28 149.34 4.18 95.81 0.01 3.70 0.38 0.01 0.00 0.00 0.00 95.86 0.04 26 T E E 36.56 10.49 26.06 37.26 126.67 -160.67 -122.29 141.67 3.25 96.74 0.00 2.93 0.21 0.01 0.00 0.00 0.00 96.80 0.04 27 G E E 4.48 20.82 18.40 39.21 139.49 154.99 -142.39 170.90 0.93 99.07 0.00 0.77 0.08 0.00 0.00 0.00 0.00 99.13 0.01 28 M E E 53.75 9.61 22.73 33.47 128.19 -127.73 -126.11 145.21 0.52 99.48 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.03 0.43 29 L E E 24.28 15.58 14.00 30.29 120.74 -127.09 -79.83 163.67 43.56 56.37 0.07 42.67 0.71 0.10 0.01 0.05 0.00 55.09 1.37 30 Q C T 113.76 7.45 13.75 22.51 91.81 -101.62 -62.88 -25.55 96.94 1.90 1.17 0.80 3.76 92.72 0.04 1.08 0.00 1.43 0.17 31 N C T 120.36 1.33 14.18 15.16 93.11 56.16 -86.50 2.21 98.62 0.19 1.19 0.39 3.16 95.06 0.03 1.21 0.00 0.11 0.04 32 G C S 46.63 4.73 12.04 18.43 96.99 -102.51 86.58 4.84 98.40 0.51 1.08 14.61 81.32 2.72 0.09 0.79 0.00 0.25 0.20 33 K C C 115.51 3.37 14.68 19.69 117.23 137.58 -79.84 142.89 97.00 2.96 0.04 95.80 1.50 0.11 0.01 0.02 0.00 2.28 0.28 34 K E E 118.29 8.03 15.62 25.05 114.51 -115.85 -80.38 134.55 2.80 97.18 0.02 2.69 0.16 0.02 0.02 0.01 0.00 92.79 4.32 35 F E E 53.55 15.85 15.86 31.60 105.29 -171.43 -101.80 -20.87 6.76 93.17 0.07 5.89 0.73 0.10 0.02 0.04 0.00 92.86 0.36 36 D E E 45.26 13.06 19.96 33.17 129.82 -2.39 -132.32 146.45 36.19 63.06 0.75 28.71 6.71 1.22 0.18 0.52 0.00 61.82 0.84 37 S C C 29.94 14.09 18.93 33.28 114.03 -163.49 -109.15 121.00 70.45 21.64 7.91 53.76 11.19 5.81 2.51 5.03 0.01 19.46 2.23 38 S C C 20.42 16.28 15.20 31.66 98.28 95.80 -82.27 -12.82 68.10 13.26 18.64 45.34 11.24 11.55 7.42 11.16 0.08 8.26 4.95 39 R C T 120.75 8.54 16.42 25.66 94.22 83.50 -68.43 -28.16 67.52 4.30 28.17 22.01 17.38 29.89 7.30 18.97 0.10 2.27 2.09 40 D C T 94.32 4.23 15.52 20.51 98.20 54.68 -83.00 -5.68 69.77 2.72 27.51 17.50 18.59 34.90 6.70 19.26 0.06 1.36 1.63 41 R C T 118.22 7.82 12.21 21.00 99.36 54.19 -90.23 5.84 78.57 1.35 20.07 14.04 21.99 42.92 5.40 13.93 0.02 0.65 1.05 42 N C T 127.51 2.43 15.35 18.86 95.89 -121.37 56.94 23.12 96.13 0.98 2.89 24.49 27.69 43.86 0.48 2.51 0.00 0.55 0.42 43 K C C 109.73 4.65 17.08 23.30 125.66 97.63 -123.56 141.61 93.73 6.16 0.12 54.67 39.54 0.56 0.03 0.09 0.00 3.55 1.56 44 P C C 62.82 11.38 16.78 28.45 115.00 -106.16 -67.68 149.05 91.21 8.72 0.07 84.26 6.12 0.43 0.01 0.07 0.00 8.43 0.68 45 F E E 24.15 21.01 15.22 35.99 121.19 -131.33 -103.19 139.15 18.71 81.22 0.07 17.43 0.96 0.11 0.03 0.04 0.00 79.17 2.25 46 K E E 99.12 9.17 24.71 34.37 123.20 -155.34 -115.88 135.23 6.62 93.36 0.02 6.18 0.36 0.03 0.01 0.01 0.00 92.90 0.51 47 F E E 12.07 23.49 16.58 40.04 131.42 -174.97 -130.76 147.97 4.41 95.53 0.05 3.97 0.29 0.03 0.02 0.02 0.00 95.34 0.33 48 R E E 93.75 8.13 25.39 33.95 118.77 -142.44 -106.65 130.92 6.22 93.66 0.13 5.64 0.41 0.09 0.06 0.06 0.00 92.95 0.78 49 I E E 15.16 22.97 14.48 37.41 112.64 -136.17 -83.73 130.16 37.22 60.33 2.45 14.37 12.24 14.95 0.70 1.74 0.05 53.79 2.16 50 G C T 34.35 10.05 19.00 29.20 99.04 16.97 81.58 -8.95 87.38 9.48 3.14 10.46 31.32 46.10 0.43 2.78 0.01 7.59 1.30 51 K C T 121.65 5.04 17.97 23.62 100.71 58.40 -96.68 5.62 90.56 1.95 7.49 8.59 35.99 46.40 1.20 5.92 0.00 1.17 0.74 52 Q C S 123.05 6.25 16.71 24.33 97.27 -109.82 53.74 19.41 78.19 14.61 7.20 13.44 33.82 32.69 1.61 4.94 0.11 10.81 2.58 53 E C C 100.25 7.83 19.25 27.68 100.74 106.48 -90.74 1.24 55.42 38.54 6.04 30.17 15.68 12.00 2.58 3.75 0.13 29.92 5.76 54 V C C 25.11 20.84 14.30 34.31 126.74 87.67 -111.03 147.57 51.20 46.62 2.18 38.80 10.35 1.41 1.87 0.75 0.02 29.03 17.78 55 I C C 28.77 17.46 18.13 35.74 112.80 -104.48 -72.67 140.59 89.22 8.64 2.14 85.58 2.88 0.82 2.10 0.30 0.00 6.70 1.61 56 K C T 123.00 6.11 22.91 29.84 104.84 -100.59 -59.84 138.32 59.44 0.22 40.35 1.08 3.10 54.00 39.20 2.32 0.06 0.10 0.14 57 G H H 17.20 14.99 21.88 36.22 95.33 23.08 79.21 -11.27 49.55 0.09 50.36 1.11 2.20 45.31 49.48 1.77 0.03 0.03 0.06 58 F H H 4.66 26.09 19.25 45.17 93.64 75.53 -66.64 -41.85 3.64 0.03 96.33 0.95 0.49 2.24 94.75 1.53 0.02 0.01 0.01 59 E H H 54.55 18.02 23.35 39.61 91.69 51.70 -63.61 -43.06 0.76 0.01 99.23 0.15 0.07 0.49 98.57 0.71 0.00 0.01 0.00 60 E H H 93.52 5.83 28.16 34.81 91.83 48.87 -64.65 -41.12 0.41 0.00 99.59 0.04 0.03 0.31 98.67 0.95 0.00 0.00 0.00 61 G H H 5.44 19.24 23.47 42.46 92.23 49.84 -65.22 -41.87 1.10 0.00 98.90 0.06 0.04 0.93 97.76 1.20 0.00 0.00 0.00 62 A H H 0.93 27.78 21.16 49.40 91.48 50.99 -65.12 -38.76 5.05 0.01 94.94 0.22 0.19 4.58 90.77 4.22 0.00 0.00 0.00 63 A H H 29.03 16.26 24.51 40.29 91.38 57.36 -68.05 -25.51 37.99 0.03 61.98 0.40 0.67 38.35 55.68 4.85 0.02 0.01 0.02 64 Q C T 86.36 8.02 26.26 35.65 96.44 49.29 -95.37 -3.45 65.70 0.04 34.26 0.83 1.22 64.43 30.25 3.22 0.00 0.01 0.03 65 M C C 6.09 25.73 14.63 40.99 121.60 105.31 -78.62 147.73 96.39 3.26 0.34 81.15 14.75 0.36 0.23 0.11 0.00 2.01 1.38 66 S C C 40.14 8.06 26.01 34.46 129.08 -150.37 -109.18 161.72 61.17 38.65 0.18 59.38 0.83 0.14 0.11 0.04 0.00 11.14 28.36 67 L C T 68.54 15.01 16.58 31.42 109.02 -78.95 -59.96 134.37 95.25 4.48 0.27 0.24 1.55 95.36 0.02 0.09 0.00 1.33 1.41 68 G C T 41.01 5.60 20.90 27.45 95.63 23.35 88.27 -6.28 99.64 0.31 0.05 0.21 1.93 97.62 0.00 0.03 0.00 0.18 0.01 69 Q C C 64.08 11.13 18.55 30.43 122.11 121.33 -81.51 152.70 96.63 3.36 0.01 86.43 10.14 0.12 0.00 0.01 0.00 3.11 0.18 70 R E E 117.36 10.50 20.60 31.71 122.88 -136.18 -111.48 138.74 5.15 94.85 0.00 5.23 0.11 0.00 0.00 0.00 0.00 91.96 2.70 71 A E E 9.51 21.67 16.64 38.11 133.31 -171.72 -134.62 153.45 0.90 99.10 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.13 0.01 72 K E E 99.22 8.69 25.39 34.65 120.22 -138.76 -112.20 132.02 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 73 L E E 5.85 25.54 17.35 43.29 122.34 -167.15 -115.51 134.68 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 74 T E E 44.09 10.86 27.18 38.43 121.28 -164.37 -116.37 130.08 0.64 99.35 0.00 0.56 0.03 0.00 0.00 0.00 0.00 99.39 0.02 75 C E E 4.39 24.60 17.83 42.66 132.34 162.65 -132.60 149.39 7.38 92.62 0.00 7.08 0.22 0.00 0.00 0.00 0.00 92.29 0.41 76 T C C 40.60 8.41 25.99 35.28 119.07 -117.09 -79.39 151.56 97.48 2.51 0.01 97.57 0.31 0.01 0.00 0.00 0.00 2.04 0.07 77 P H H 22.08 21.25 16.55 37.58 91.16 -112.96 -58.62 -35.46 14.35 0.05 85.60 0.75 0.97 11.74 58.25 28.20 0.02 0.03 0.03 78 D H H 92.35 5.42 23.63 30.12 91.25 58.91 -66.10 -27.29 10.43 0.04 89.53 0.38 0.55 9.04 61.69 28.28 0.03 0.02 0.02 79 V H H 46.81 13.46 22.05 35.18 96.96 44.32 -82.99 -29.30 8.12 0.07 91.81 0.56 0.73 6.26 63.53 28.82 0.03 0.04 0.03 80 A H H 4.65 24.37 17.91 41.98 99.34 39.65 -84.94 -39.60 28.37 0.62 71.01 2.79 4.63 21.20 57.98 12.12 0.54 0.31 0.44 81 Y C T 60.64 15.41 20.07 35.05 102.60 22.19 -106.36 -6.98 58.03 3.88 38.09 7.96 12.81 37.37 30.52 4.94 1.56 1.28 3.57 82 G C C 21.74 10.17 18.26 29.42 122.12 -129.60 85.41 -170.24 80.44 2.83 16.73 37.02 14.39 28.99 2.96 13.68 0.00 1.28 1.67 83 A C T 79.00 5.42 17.75 24.12 95.43 -46.82 -77.60 -16.75 78.59 2.61 18.79 14.13 24.61 40.13 2.19 16.17 0.01 1.25 1.51 84 T C T 94.98 3.04 19.69 22.92 105.17 56.64 -98.96 13.69 79.57 3.90 16.54 21.93 25.57 32.57 1.95 14.05 0.01 1.82 2.09 85 G C C 19.77 15.29 12.78 27.64 126.57 -138.75 86.64 -173.08 91.77 5.90 2.33 55.70 29.21 6.40 0.49 1.96 0.00 2.60 3.64 86 H C C 83.42 9.12 15.76 26.10 117.11 -69.63 -96.11 131.11 78.94 20.48 0.58 62.38 13.30 1.24 0.25 0.33 0.00 5.79 16.71 87 P C T 99.91 4.43 15.32 21.52 108.82 -90.22 -59.13 133.76 95.39 1.15 3.46 2.73 7.72 84.02 0.14 4.15 0.00 0.65 0.60 88 G C T 61.04 1.60 16.67 18.06 95.68 15.50 83.67 -3.01 96.71 0.22 3.07 1.62 6.80 87.47 0.09 3.81 0.00 0.13 0.09 89 V C T 57.59 10.78 16.61 28.12 103.07 63.06 -97.63 -35.56 90.57 6.17 3.26 12.76 27.43 49.49 0.28 3.63 0.01 3.17 3.24 90 I C S 9.58 23.28 12.12 35.51 119.96 32.03 -125.42 118.46 65.84 34.02 0.14 26.26 37.67 0.26 0.09 0.04 0.00 5.90 29.77 91 P C C 54.33 5.95 22.23 28.77 118.42 -122.91 -69.06 154.37 99.30 0.67 0.03 98.48 0.81 0.16 0.00 0.02 0.00 0.28 0.24 92 P C T 63.40 11.10 16.79 28.33 111.45 -85.28 -61.87 142.87 99.56 0.15 0.29 0.86 3.50 95.25 0.02 0.25 0.00 0.08 0.05 93 N C T 104.51 4.97 21.60 27.38 92.89 14.41 66.07 24.24 99.64 0.14 0.22 1.04 3.09 95.54 0.01 0.21 0.00 0.09 0.02 94 A C C 14.98 17.08 16.21 34.08 118.77 150.44 -77.01 146.87 95.93 4.01 0.06 84.71 11.29 0.22 0.01 0.07 0.00 3.22 0.49 95 T E E 42.61 11.35 24.93 36.71 118.22 -131.76 -98.80 133.72 42.26 57.72 0.01 41.85 0.84 0.03 0.00 0.01 0.00 56.08 1.19 96 L E E 3.46 25.88 18.69 45.26 121.44 -162.31 -112.43 134.09 2.65 97.34 0.00 2.49 0.07 0.00 0.00 0.00 0.00 97.38 0.05 97 I E E 34.21 12.64 26.58 40.02 117.97 -156.85 -110.89 126.49 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 98 F E E 5.90 25.02 19.46 44.78 122.88 -169.59 -116.86 133.61 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 99 D E E 40.38 10.22 27.38 38.67 115.09 -151.36 -100.67 125.91 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 100 V E E 2.73 26.58 17.29 44.99 123.40 -169.56 -121.02 132.60 0.53 99.47 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.48 0.00 101 E E E 68.84 7.85 27.29 35.93 118.59 -159.76 -108.54 129.23 0.54 99.46 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.45 0.01 102 L E E 17.12 22.51 15.01 37.83 110.41 -128.70 -78.98 124.22 1.45 98.55 0.00 1.50 0.03 0.00 0.00 0.00 0.00 98.39 0.08 103 L E E 73.55 6.96 20.48 28.37 101.18 175.76 -91.82 -34.67 10.60 89.29 0.11 7.06 2.83 0.66 0.01 0.09 0.00 89.20 0.14 104 N E E 81.06 4.33 21.51 26.50 136.45 -3.36 -154.18 151.14 14.71 85.12 0.18 10.19 3.80 0.92 0.02 0.15 0.00 84.70 0.22 105 L E E 57.98 18.77 10.31 27.54 118.58 -154.09 -117.06 125.40 29.56 70.15 0.28 29.05 0.48 0.21 0.09 0.13 0.00 68.80 1.24 106 E C C 124.19 3.46 19.07 23.10 113.48 -168.75 -104.71 119.87 98.53 1.46 0.01 98.65 0.05 0.02 0.00 0.00 0.00 1.26 0.02