# 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 118.12 5.50 12.71 19.97 119.20 -163.47 -102.18 134.19 99.30 0.65 0.04 99.20 0.18 0.10 0.02 0.01 0.00 0.43 0.06 1 G C C 47.68 4.47 11.14 17.38 122.32 -167.33 -120.40 171.75 84.67 13.57 1.76 77.74 2.59 4.16 0.59 0.95 0.00 11.02 2.94 2 K C C 154.23 2.33 11.49 15.37 113.94 -102.84 -93.04 133.98 73.71 22.85 3.43 51.31 12.83 8.73 0.98 2.75 0.01 17.25 6.14 3 A C C 73.33 6.10 9.82 17.45 114.01 -141.10 -91.63 133.51 77.99 18.30 3.71 46.25 17.41 14.94 0.86 3.12 0.01 13.53 3.87 4 G C C 43.89 5.96 11.74 19.00 119.08 -145.07 -112.10 167.99 84.50 12.62 2.87 49.54 21.26 14.06 0.61 2.53 0.00 8.89 3.11 5 K C C 147.63 3.16 13.56 18.04 110.73 -98.66 -92.56 114.51 86.37 10.50 3.13 48.18 25.65 13.12 0.74 2.48 0.01 6.18 3.63 6 G C C 43.83 6.34 12.51 20.09 115.85 -65.30 93.96 166.98 88.40 6.95 4.65 38.37 30.96 19.77 0.98 3.61 0.01 4.05 2.26 7 T C C 87.49 6.38 13.64 21.02 108.58 -82.64 -94.25 83.06 81.34 9.57 9.09 44.27 22.60 14.92 2.49 6.47 0.03 5.09 4.14 8 G C C 41.74 7.37 13.72 21.98 113.80 -148.22 -93.42 147.73 73.37 8.42 18.21 39.81 18.05 16.42 4.16 13.78 0.03 4.99 2.76 9 S C C 67.18 7.33 13.85 22.10 107.70 -118.30 -91.82 60.70 69.01 10.38 20.61 35.75 16.30 18.30 5.20 14.85 0.04 6.62 2.94 10 F C C 110.70 8.48 13.28 22.58 108.43 75.24 -95.74 60.77 64.96 16.35 18.69 32.62 16.14 17.80 5.67 12.23 0.21 9.87 5.46 11 G C C 33.32 7.92 12.93 22.06 121.44 -147.95 100.64 -163.00 72.05 15.45 12.50 41.21 18.27 13.61 4.41 7.72 0.08 10.01 4.69 12 K C C 139.34 3.68 13.14 18.24 112.39 -76.83 -91.36 128.01 65.77 18.10 16.13 36.05 16.97 14.14 5.30 10.42 0.12 11.96 5.04 13 R C C 143.66 4.85 10.58 17.04 114.25 -140.19 -93.68 129.94 63.51 17.57 18.92 30.81 16.11 18.39 5.12 13.03 0.14 11.26 5.13 14 H C T 147.69 2.83 11.43 15.71 102.49 -23.10 -63.77 58.07 79.94 5.88 14.18 20.50 17.62 42.24 3.01 10.80 0.03 3.78 2.01 15 G C T 55.62 2.72 13.12 16.91 100.77 -14.98 80.14 5.78 90.75 3.10 6.15 20.79 25.99 44.02 0.91 5.36 0.00 2.03 0.90 16 K C C 104.05 7.43 11.84 20.72 118.22 114.27 -98.31 138.68 78.86 17.49 3.64 42.53 26.22 10.81 0.96 2.88 0.02 10.90 5.69 17 T C C 71.49 7.89 15.05 24.02 112.69 -145.82 -99.29 123.00 75.58 22.28 2.14 52.88 16.31 6.03 0.57 1.84 0.00 17.71 4.66 18 H C C 65.15 13.46 15.33 29.07 121.74 85.72 -111.61 139.15 68.28 30.25 1.46 51.13 13.62 3.41 0.31 1.27 0.00 27.63 2.61 19 F E E 64.57 12.35 19.35 32.26 121.59 -150.07 -111.14 135.55 41.85 57.24 0.91 33.75 7.36 1.27 0.30 0.68 0.00 52.85 3.78 20 L E E 51.18 12.30 20.23 33.06 117.77 -142.05 -98.46 136.11 18.31 81.10 0.59 14.36 2.10 0.27 0.47 0.22 0.00 55.46 27.12 21 C C C 10.47 19.35 13.81 33.99 110.08 -121.98 -78.34 123.80 66.01 33.65 0.34 63.68 1.98 0.31 0.13 0.19 0.00 28.05 5.66 22 I C T 86.46 8.23 19.27 28.42 94.65 -154.52 -69.48 -27.81 95.37 1.50 3.14 3.32 9.79 82.11 0.23 3.00 0.00 1.18 0.37 23 R C T 119.58 7.40 17.99 26.06 96.25 48.88 -77.20 -37.84 97.13 0.47 2.40 0.60 5.28 91.64 0.18 1.86 0.00 0.31 0.13 24 C C T 51.44 9.03 15.66 25.94 101.15 22.28 -104.39 -11.05 98.07 0.29 1.64 0.86 4.78 92.69 0.11 1.29 0.00 0.18 0.08 25 G C C 38.47 6.41 17.16 24.79 95.96 -114.81 83.81 5.47 96.47 2.69 0.84 58.16 14.61 23.77 0.18 0.70 0.00 1.83 0.76 26 R C C 91.24 9.55 16.63 27.34 120.60 132.10 -85.42 147.16 88.43 11.33 0.23 69.40 16.47 2.28 0.04 0.26 0.00 10.20 1.35 27 R E E 114.57 10.33 19.89 30.44 115.55 -129.65 -94.74 131.31 29.37 70.45 0.18 24.30 4.65 0.34 0.07 0.13 0.00 63.32 7.19 28 A E E 15.51 16.49 18.51 35.47 136.83 163.84 -139.67 157.45 21.16 78.78 0.06 18.51 2.03 0.10 0.01 0.05 0.00 78.66 0.64 29 Y E E 54.04 13.26 19.95 34.14 127.03 -151.93 -121.02 142.97 10.16 89.75 0.09 8.89 1.20 0.10 0.04 0.06 0.00 83.91 5.81 30 H E E 38.42 12.80 16.87 31.06 112.90 -128.64 -90.11 125.65 30.36 69.37 0.26 27.32 2.17 0.29 0.14 0.15 0.00 61.87 8.06 31 T C T 65.19 10.05 15.60 26.69 94.04 -148.29 -68.41 -30.32 92.92 2.08 5.01 5.46 13.76 72.87 0.33 5.51 0.00 1.68 0.38 32 Q C T 124.63 2.68 17.08 19.79 96.87 47.52 -78.59 -32.04 92.19 1.96 5.84 4.93 14.01 72.59 0.71 5.85 0.00 1.37 0.54 33 K C T 100.84 6.99 15.81 23.26 107.52 21.10 -112.99 22.81 92.00 2.00 6.01 12.35 16.20 62.45 0.86 6.22 0.00 1.30 0.62 34 K C T 112.27 9.77 16.83 27.13 97.54 -134.35 30.47 24.86 95.50 3.46 1.04 19.40 17.10 59.11 0.19 0.90 0.00 2.86 0.43 35 T E E 51.70 7.85 21.51 30.41 133.29 103.40 -128.79 154.76 22.60 77.05 0.35 16.01 4.92 0.89 0.18 0.23 0.01 46.19 31.57 36 C E E 11.36 20.14 14.42 35.07 113.17 -109.36 -76.03 137.54 34.58 65.34 0.08 33.40 1.15 0.10 0.04 0.04 0.00 43.10 22.17 37 G C T 26.57 11.15 19.03 31.10 94.23 -138.55 -66.90 -33.21 98.43 0.49 1.09 2.14 5.07 91.13 0.06 1.08 0.00 0.33 0.20 38 A C T 60.59 8.17 20.76 29.23 94.48 51.14 -72.89 -33.26 99.16 0.07 0.77 0.08 1.72 97.55 0.01 0.59 0.00 0.04 0.01 39 C C T 46.79 10.72 17.86 29.46 100.05 25.71 -104.51 -5.71 99.31 0.10 0.59 0.23 2.49 96.72 0.01 0.46 0.00 0.05 0.03 40 G C C 31.85 7.89 19.24 28.25 95.73 -111.22 84.13 8.96 97.94 1.72 0.34 73.57 12.43 11.52 0.11 0.21 0.00 0.61 1.55 41 Y C C 50.39 13.82 13.48 28.61 113.28 144.11 -77.26 131.91 96.31 3.35 0.35 86.00 9.07 0.60 0.18 0.16 0.00 1.12 2.87 42 P C T 73.84 6.86 17.72 25.60 95.07 -124.46 -64.19 -27.57 76.55 5.84 17.61 10.79 11.16 53.50 3.21 14.75 0.09 3.16 3.33 43 N C T 95.75 4.95 17.15 22.80 100.45 49.86 -84.78 15.96 78.93 1.90 19.17 15.39 12.06 50.65 3.22 16.74 0.01 1.09 0.85 44 A C C 37.33 14.63 10.10 24.50 108.45 129.58 -73.64 123.13 70.05 2.88 27.07 43.91 13.62 11.66 4.98 23.15 0.00 1.56 1.13 45 K C C 137.07 3.89 14.93 20.09 100.73 101.57 -84.46 -11.90 69.28 9.61 21.11 36.30 19.06 14.26 6.36 14.53 0.05 5.61 3.83 46 K C C 130.79 3.84 14.31 19.45 112.49 45.49 -93.71 113.00 64.29 19.65 16.06 40.72 13.41 9.66 5.97 10.44 0.07 11.83 7.90 47 R C C 110.20 10.84 10.06 21.33 114.86 105.03 -94.80 130.65 80.43 14.50 5.08 65.19 10.08 3.91 2.98 2.45 0.00 10.52 4.85 48 T C C 92.60 3.46 14.42 19.14 114.55 -154.68 -107.48 133.36 84.16 11.56 4.28 62.42 16.12 5.10 2.69 1.90 0.01 7.55 4.21 49 Y C C 124.41 7.91 10.72 19.80 116.57 -136.52 -97.91 131.47 83.94 6.92 9.14 44.00 28.35 11.62 6.91 2.55 0.02 4.15 2.40 50 N C C 97.25 4.58 12.74 18.68 106.97 -145.87 -94.42 84.78 83.01 4.19 12.80 55.02 16.04 11.25 10.44 3.04 0.01 2.28 1.93 51 W C C 140.25 6.84 11.49 19.58 98.19 143.79 -78.70 -12.44 61.99 2.30 35.72 32.26 13.67 16.48 31.41 4.02 0.03 1.13 1.00 52 S H H 52.35 5.76 12.60 19.86 105.60 76.51 -82.88 11.97 46.30 1.97 51.72 27.85 10.03 10.04 46.68 3.61 0.03 0.99 0.76 53 E H H 116.51 2.79 14.95 18.36 93.99 51.29 -64.71 -37.67 8.99 0.64 90.37 4.82 2.06 3.50 86.07 2.89 0.04 0.50 0.12 54 K H H 102.65 4.89 15.34 21.32 92.77 52.30 -66.28 -39.36 6.20 0.79 93.01 3.28 1.16 2.84 88.58 3.29 0.04 0.68 0.13 55 A H H 27.86 9.49 12.60 24.00 92.51 52.40 -64.89 -40.40 5.87 1.05 93.09 2.83 1.09 2.91 88.19 3.84 0.07 0.90 0.18 56 K H H 108.23 3.86 16.83 21.34 92.44 52.01 -65.68 -39.96 8.72 1.16 90.12 3.82 1.38 4.56 85.76 3.23 0.09 0.88 0.27 57 R H H 123.79 3.16 16.64 20.19 93.41 50.81 -66.92 -38.30 15.68 1.22 83.10 6.18 2.37 8.49 78.98 2.65 0.14 0.74 0.46 58 R H H 96.55 8.71 13.50 23.35 93.99 54.09 -68.37 -35.05 22.15 1.28 76.56 11.08 3.39 9.36 72.10 2.66 0.10 0.63 0.68 59 H H H 112.50 6.35 14.65 21.87 95.64 55.12 -71.26 -30.50 25.16 1.00 73.84 9.83 3.49 12.49 70.11 3.01 0.09 0.52 0.47 60 T H H 88.44 3.17 15.55 19.20 98.60 47.61 -82.85 -30.35 32.24 1.01 66.75 7.98 6.00 18.96 63.35 2.59 0.18 0.45 0.50 61 T H H 77.67 4.64 14.37 19.87 101.03 38.68 -93.03 -11.75 46.36 1.32 52.31 11.13 14.32 22.04 49.25 1.91 0.14 0.44 0.77 62 G C C 40.00 6.47 12.94 20.78 103.18 -122.56 77.69 6.63 90.69 1.09 8.22 40.49 25.54 24.84 3.97 4.07 0.00 0.52 0.58 63 T C C 78.00 6.00 14.08 21.04 107.18 81.42 -90.74 23.13 78.56 2.09 19.35 33.90 22.78 22.47 9.77 8.89 0.02 0.92 1.25 64 G C C 38.36 6.69 15.30 22.84 102.56 -93.19 72.92 -50.98 66.67 2.11 31.22 26.45 20.28 20.66 14.83 15.58 0.05 0.97 1.18 65 R C C 125.35 6.74 15.74 23.13 96.69 49.59 -74.44 -22.00 55.15 2.98 41.87 25.56 12.39 17.60 20.19 21.26 0.07 1.66 1.26 66 C C C 48.62 12.19 12.90 25.37 98.22 54.54 -82.20 3.79 52.59 3.28 44.13 31.02 8.10 12.96 22.28 22.37 0.03 2.03 1.21 67 R H G 132.23 5.17 16.31 22.63 94.14 101.46 -65.64 -30.68 41.23 3.20 55.57 17.31 8.47 15.68 27.25 28.11 0.12 2.01 1.05 68 H H G 95.93 7.04 16.05 23.82 96.34 55.22 -79.80 -17.09 36.12 2.79 61.10 15.40 5.98 14.59 28.56 32.72 0.05 1.88 0.82 69 L H G 55.09 14.59 12.31 26.65 95.23 79.93 -69.46 -27.90 20.75 1.73 77.51 11.03 3.21 6.64 29.13 48.38 0.01 1.29 0.31 70 K H G 126.80 4.93 16.11 22.24 93.37 67.09 -70.97 -21.38 30.55 1.29 68.16 7.18 4.43 17.87 25.34 43.81 0.10 0.82 0.43 71 D H G 95.58 3.76 16.52 20.94 99.55 51.40 -94.61 2.58 39.39 1.75 58.86 7.88 6.43 24.08 20.36 39.27 0.15 1.03 0.78 72 M C C 52.25 14.27 10.17 24.70 114.92 110.30 -79.87 136.51 81.35 1.19 17.45 39.27 39.21 2.72 16.43 1.32 0.01 0.34 0.70 73 P C C 64.09 5.80 15.23 22.42 108.81 -109.54 -66.15 140.95 60.62 1.65 37.73 56.47 2.17 3.27 32.71 3.87 0.00 0.81 0.70 74 R H H 133.33 5.20 13.74 20.25 94.54 -123.87 -64.37 -35.06 20.94 1.69 77.37 9.30 3.87 8.14 54.07 22.91 0.06 1.17 0.47 75 R H H 119.78 5.79 13.30 20.42 92.84 58.16 -68.42 -33.49 16.70 1.90 81.40 6.53 2.91 7.33 57.58 23.66 0.08 1.52 0.39 76 A H H 53.15 7.98 11.50 20.65 96.09 55.35 -76.08 -22.74 20.55 2.16 77.29 8.96 3.88 8.32 54.10 22.61 0.08 1.53 0.52 77 K H H 127.05 4.37 13.12 18.49 98.41 60.41 -80.86 -21.18 41.90 3.59 54.50 15.16 10.23 18.73 43.18 8.85 0.34 1.80 1.72 78 N C T 92.74 4.66 12.71 18.54 102.88 49.46 -95.07 19.21 71.65 1.75 26.60 17.79 17.84 36.23 20.83 5.47 0.08 0.78 1.00 79 N C T 107.82 4.42 13.22 19.02 97.80 -123.40 57.71 21.56 83.49 1.71 14.80 26.47 18.63 39.16 6.58 7.41 0.01 0.85 0.88 80 F C C 104.59 7.85 11.35 20.41 108.49 129.41 -85.78 104.57 79.02 6.18 14.81 41.10 17.73 20.74 5.47 8.74 0.02 3.17 3.02 81 R C C 125.38 6.75 11.55 19.42 107.07 147.94 -95.80 78.60 82.73 6.80 10.47 57.91 11.55 13.15 3.80 6.55 0.01 3.77 3.27 82 E C T 132.79 3.92 10.97 16.94 111.31 -150.71 -74.25 132.47 88.68 4.78 6.54 31.18 14.13 43.98 2.58 3.41 0.01 2.59 2.14 83 G C T 62.29 1.23 12.85 13.94 99.60 13.62 84.93 -4.38 93.81 1.86 4.33 21.25 23.38 49.55 1.09 2.94 0.00 1.15 0.65 84 T C C 74.40 6.21 9.72 17.55 118.02 119.01 -94.14 142.60 91.72 5.27 3.01 64.83 21.97 4.77 1.18 1.83 0.00 2.95 2.46 85 K C C 153.66 1.99 13.79 16.88 115.06 -132.01 -90.39 135.15 86.87 11.21 1.92 75.31 8.70 1.85 1.10 0.86 0.00 5.55 6.63 86 A C C 52.14 11.21 8.49 20.08 114.72 -119.85 -72.86 146.19 93.35 5.36 1.29 84.58 7.64 0.90 0.81 0.44 0.00 2.96 2.67 87 T C C 85.66 3.70 13.56 18.60 118.20 -131.96 -93.09 141.38 97.27 1.37 1.36 89.97 6.88 0.52 1.16 0.22 0.00 0.69 0.56 88 P C C 86.60 4.92 11.63 18.22 112.48 -104.76 -66.24 146.61 85.84 2.53 11.63 79.84 3.34 2.74 10.10 1.59 0.00 1.22 1.16 89 V C C 88.62 6.55 9.19 17.06 111.26 -119.29 -82.76 136.68 67.33 2.36 30.31 55.53 7.13 4.43 27.79 2.94 0.00 1.07 1.11 90 K C H 142.31 2.49 10.78 14.51 111.68 -133.92 -88.01 128.05 52.24 2.55 45.22 40.30 7.47 5.15 40.48 4.31 0.00 1.50 0.78 91 K H H 137.94 3.08 9.75 14.29 109.24 -134.43 -83.70 119.04 42.53 2.87 54.60 32.24 5.84 5.81 47.85 5.59 0.01 1.96 0.69 92 R H H 147.00 3.44 9.49 14.45 108.22 -136.81 -85.01 110.46 38.76 2.96 58.28 27.30 6.41 6.86 50.46 6.24 0.02 1.94 0.77 93 K H H 132.23 2.89 9.49 13.75 106.32 -134.73 -84.25 57.83 40.93 2.31 56.76 28.59 6.85 6.99 49.22 6.25 0.02 1.40 0.67 94 T H H 91.89 2.97 8.52 12.97 105.48 51.52 -82.37 43.83 42.58 2.19 55.23 25.79 7.52 10.66 46.54 7.48 0.03 1.26 0.73 95 Q C H 133.12 2.07 8.27 11.71 102.44 56.28 -84.04 -2.55 51.68 2.04 46.28 24.12 10.40 18.35 37.63 7.52 0.05 1.08 0.83 96 Q C C 131.62 2.22 7.71 11.48 106.31 74.19 -86.72 54.87 68.57 1.45 29.98 45.88 3.08 19.46 25.07 5.01 0.00 0.75 0.76 97 K C C 150.00 2.38 9.99 13.87 105.56 90.93 -84.70 64.63 99.68 0.08 0.24 99.30 0.17 0.28 0.17 0.02 0.00 0.04 0.02