# 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 123.46 4.08 10.22 16.18 117.44 -158.77 -99.68 137.02 99.72 0.24 0.03 99.61 0.15 0.06 0.01 0.01 0.00 0.13 0.04 1 S C C 83.43 2.56 8.15 12.62 115.70 -146.33 -96.46 140.46 85.67 9.41 4.92 81.86 1.33 2.96 3.17 1.28 0.00 6.13 3.29 2 Q C C 142.42 1.75 7.58 10.90 110.55 -148.13 -94.78 103.23 76.41 12.36 11.22 54.20 13.09 8.55 7.65 4.05 0.02 9.13 3.31 3 E C C 146.28 1.82 7.71 11.13 111.62 -135.03 -93.22 124.01 71.62 11.78 16.61 49.91 12.28 8.93 11.78 5.26 0.02 9.39 2.43 4 S C C 84.91 2.44 7.71 11.90 115.71 -157.05 -98.05 136.09 71.06 9.95 19.00 49.56 11.93 8.78 14.43 5.33 0.02 7.85 2.10 5 S C C 86.75 2.21 8.07 11.88 113.86 -152.13 -97.88 127.40 67.34 9.82 22.83 48.21 10.98 7.42 18.49 5.12 0.02 7.68 2.09 6 V C C 115.25 2.22 8.15 12.01 113.67 -149.98 -98.69 125.25 60.27 11.75 27.98 42.26 10.67 6.92 23.52 4.88 0.03 9.27 2.44 7 L C C 121.73 2.74 8.38 12.91 114.17 -150.99 -94.62 131.82 61.10 11.58 27.32 44.94 8.98 6.48 23.39 4.62 0.02 9.16 2.42 8 S C C 77.68 3.25 8.97 13.90 114.48 -140.43 -92.87 137.45 63.11 8.91 27.98 48.42 8.26 5.69 24.78 3.94 0.01 6.88 2.03 9 E C C 136.24 2.84 9.49 13.92 109.48 -142.15 -87.46 113.02 59.31 7.76 32.93 42.18 9.26 7.61 29.13 4.12 0.02 5.82 1.86 10 S C C 73.11 3.54 9.11 14.17 110.33 -146.77 -88.08 117.09 60.34 5.59 34.07 43.38 9.10 7.66 30.20 4.15 0.02 3.96 1.54 11 Q C H 128.56 2.66 9.74 13.72 100.87 -102.43 -76.41 -13.77 50.51 4.60 44.89 35.22 8.94 7.62 38.51 5.23 0.04 3.15 1.29 12 E H H 128.73 2.63 10.05 13.92 101.97 66.13 -80.38 -11.55 46.60 4.99 48.41 32.82 7.11 8.20 40.91 6.03 0.04 3.68 1.23 13 Q H H 115.56 3.32 9.88 14.61 102.37 66.00 -80.00 -12.66 46.66 5.30 48.04 33.52 6.49 8.15 40.27 6.34 0.04 3.89 1.31 14 L C H 105.64 4.44 9.17 15.04 102.18 64.01 -80.25 -9.84 47.46 5.29 47.24 31.97 6.79 10.15 38.94 6.98 0.05 3.69 1.43 15 A C H 79.12 2.72 10.41 14.35 101.93 76.26 -80.63 -2.18 59.02 3.88 37.10 30.51 9.43 19.71 30.61 6.00 0.06 2.43 1.26 16 N C C 119.81 2.24 10.40 13.79 106.62 60.09 -91.25 57.15 72.94 4.08 22.99 34.70 14.92 24.21 16.73 5.56 0.05 2.16 1.66 17 N C C 97.40 4.74 8.26 14.86 115.03 118.48 -96.04 126.78 94.78 2.86 2.35 61.89 31.04 2.21 1.51 0.73 0.00 1.39 1.23 18 P C C 95.28 3.30 9.59 14.67 112.87 -115.86 -68.63 146.27 88.53 3.39 8.08 73.92 7.23 7.49 4.34 3.50 0.00 2.16 1.36 19 K C C 154.74 2.15 9.26 13.04 113.89 -126.40 -91.41 132.06 81.51 7.55 10.95 59.65 13.40 8.32 5.71 5.22 0.01 4.56 3.13 20 I C C 115.40 4.19 7.87 13.90 113.36 -135.68 -90.99 128.85 78.17 9.01 12.82 63.95 8.60 5.50 6.94 5.80 0.01 6.20 3.00 21 E C C 141.73 2.28 9.46 13.20 110.89 -136.73 -86.60 129.20 80.33 7.79 11.87 64.11 7.83 8.25 6.30 5.47 0.01 5.22 2.81 22 D C C 107.90 3.30 8.37 13.36 110.24 -138.29 -92.63 112.99 87.13 4.70 8.18 61.82 11.66 13.76 3.73 4.21 0.00 2.90 1.92 23 T C C 106.77 2.17 9.32 12.64 104.95 170.73 -94.79 12.74 91.58 3.75 4.67 54.21 26.40 11.36 1.95 2.49 0.00 1.96 1.63 24 S C C 77.31 2.76 8.87 13.39 117.28 111.81 -90.56 138.64 96.34 2.84 0.82 51.84 43.42 1.46 0.41 0.34 0.00 1.31 1.22 25 P C C 97.17 2.82 9.81 14.35 115.42 -104.29 -68.77 149.00 96.57 1.00 2.43 86.04 8.53 2.09 1.56 0.81 0.00 0.51 0.47 26 P C C 99.05 3.79 8.73 14.42 111.22 -103.07 -67.40 145.90 87.38 1.70 10.92 75.08 5.67 6.84 5.77 4.88 0.00 0.89 0.87 27 S C C 78.80 3.19 9.10 13.97 113.26 -120.80 -85.89 142.34 79.35 4.05 16.60 62.73 8.35 8.20 8.41 8.18 0.00 2.26 1.86 28 A C C 87.77 2.36 9.35 13.11 100.38 -130.69 -79.06 -7.50 70.23 4.76 25.01 43.89 17.16 9.98 12.78 11.61 0.01 2.90 1.68 29 N C C 111.74 3.15 9.83 14.48 110.19 59.25 -92.44 109.97 71.77 4.67 23.56 46.11 16.73 9.45 11.99 11.21 0.01 2.86 1.64 30 S C C 71.83 4.57 9.45 15.78 111.90 -136.50 -84.03 130.38 75.80 5.62 18.58 62.39 7.58 6.12 10.34 7.89 0.00 3.68 1.99 31 R C C 152.53 4.25 10.17 15.97 112.83 -139.17 -94.43 129.39 75.16 9.15 15.69 57.06 10.59 6.52 10.18 5.72 0.01 4.50 5.41 32 D C C 85.02 5.53 9.29 16.50 109.39 -136.01 -88.88 113.46 84.11 4.21 11.67 69.02 7.47 7.56 6.41 5.07 0.00 2.35 2.12 33 N C T 120.51 3.14 10.54 15.14 98.25 -165.67 -83.84 -2.49 89.24 2.17 8.59 34.47 17.90 37.52 3.54 4.44 0.01 1.21 0.91 34 S C T 83.22 2.56 10.87 14.59 99.22 74.06 -86.81 -2.20 91.01 2.80 6.20 26.53 28.07 37.02 1.84 3.91 0.01 1.58 1.04 35 K C S 119.39 4.63 10.37 16.88 116.68 102.43 -90.32 136.27 94.38 4.59 1.03 37.24 55.45 2.35 0.36 0.60 0.00 2.66 1.34 36 P C C 89.90 4.62 12.57 18.56 111.50 -105.65 -69.08 142.23 89.12 8.99 1.88 72.32 11.71 4.86 0.57 1.35 0.00 6.55 2.64 37 V C C 82.67 8.82 10.69 20.53 119.27 -131.29 -99.14 134.93 66.61 31.42 1.97 48.81 14.30 2.58 0.96 1.21 0.01 21.97 10.15 38 L C C 78.74 7.59 12.47 21.72 116.68 -133.31 -98.40 134.49 68.13 30.27 1.59 51.11 15.57 1.49 0.80 0.87 0.01 26.32 3.82 39 P C C 77.96 5.11 14.85 21.21 112.47 -112.96 -68.79 143.62 68.44 24.20 7.36 58.62 5.89 4.05 3.12 4.11 0.01 21.11 3.07 40 W C C 116.88 10.53 9.59 20.69 103.79 -132.99 -84.16 27.51 65.21 10.64 24.15 37.29 12.23 17.07 6.27 16.93 0.04 7.47 2.70 41 D C C 93.92 3.90 12.62 17.68 104.37 70.57 -88.28 71.76 67.56 9.10 23.34 36.82 14.01 18.14 6.53 15.94 0.05 6.03 2.48 42 Y C C 150.88 4.67 10.34 16.47 101.01 57.54 -82.31 0.69 66.73 7.47 25.80 31.23 20.55 16.69 8.69 15.75 0.09 4.35 2.65 43 K C C 141.84 2.65 12.07 15.77 105.82 71.73 -87.81 10.93 72.83 6.30 20.87 27.32 23.69 23.61 7.88 11.37 0.13 3.61 2.40 44 N C C 99.05 5.08 11.45 17.94 111.11 45.55 -94.25 111.02 75.69 7.80 16.51 35.13 16.86 25.27 5.19 10.28 0.06 5.13 2.09 45 K C C 117.44 6.55 12.40 20.24 110.99 95.16 -103.29 93.47 71.11 17.41 11.49 35.41 20.00 17.68 2.92 7.70 0.05 13.70 2.54 46 A C E 53.84 8.57 12.81 22.54 120.44 126.41 -107.80 143.83 54.73 41.34 3.93 37.19 11.79 6.86 0.93 2.98 0.01 38.35 1.90 47 I E E 60.83 11.41 12.51 25.04 121.91 -154.66 -116.05 134.93 32.13 67.26 0.60 27.70 4.06 0.56 0.22 0.38 0.00 65.09 1.98 48 E E E 113.11 4.76 17.61 23.35 113.68 -126.30 -82.85 133.27 24.95 74.88 0.18 23.70 1.01 0.15 0.06 0.10 0.00 74.29 0.69 49 I E E 55.12 13.85 11.09 25.40 123.59 -168.09 -116.51 137.62 22.38 77.47 0.16 20.47 1.38 0.16 0.05 0.09 0.00 77.31 0.54 50 K E E 112.00 4.48 15.46 21.33 120.08 -153.22 -109.33 136.53 10.09 89.65 0.26 9.22 0.58 0.12 0.16 0.11 0.00 75.52 14.28 51 S C C 37.25 10.11 9.75 20.98 123.47 -138.95 -86.38 168.51 78.56 21.30 0.14 77.19 1.31 0.28 0.04 0.09 0.00 18.89 2.20 52 F C T 159.03 3.14 11.03 15.69 91.85 -99.83 -64.87 -21.54 99.01 0.75 0.24 1.58 8.12 89.39 0.01 0.22 0.00 0.62 0.07 53 S C T 80.31 2.20 11.14 13.98 94.18 56.67 -88.65 -0.42 99.52 0.25 0.23 0.86 8.72 90.00 0.01 0.22 0.00 0.16 0.03 54 G C S 56.13 1.68 12.17 14.52 97.62 -102.12 86.88 5.72 98.23 1.52 0.26 21.36 75.24 1.77 0.02 0.24 0.00 0.99 0.37 55 Y C C 121.28 4.64 9.49 16.30 118.58 136.16 -86.71 143.30 96.47 3.48 0.04 93.85 2.83 0.13 0.01 0.02 0.00 2.64 0.53 56 K E E 144.83 2.57 13.65 17.58 115.16 -127.29 -89.05 130.88 12.29 87.63 0.08 11.77 0.55 0.06 0.05 0.03 0.00 78.10 9.43 57 V E E 53.57 12.80 9.34 22.74 121.34 -166.63 -114.82 135.50 10.95 88.93 0.12 10.41 0.57 0.09 0.05 0.06 0.00 88.01 0.81 58 N E E 105.05 3.02 17.24 21.06 115.16 -151.97 -104.03 123.38 24.38 75.27 0.35 21.27 2.25 0.38 0.13 0.20 0.00 74.71 1.06 59 F C E 71.89 14.12 9.83 23.98 118.38 -168.11 -108.32 131.04 50.72 47.86 1.42 44.64 4.36 1.10 0.73 0.69 0.00 46.64 1.83 60 T C C 89.53 3.39 16.63 20.82 117.39 -171.49 -111.13 134.20 68.13 28.05 3.82 51.88 11.65 3.83 2.11 1.78 0.00 26.86 1.88 61 G C C 34.66 6.01 15.58 22.63 125.52 58.93 126.13 -175.14 61.49 23.63 14.88 26.42 25.99 10.00 10.39 4.29 0.32 19.64 2.95 62 W C C 136.90 6.57 14.24 22.04 118.24 -63.65 -97.62 138.65 54.11 27.71 18.18 36.96 10.21 6.54 14.68 4.13 0.10 23.34 4.04 63 I C C 66.57 9.63 11.93 23.02 119.09 -153.09 -106.01 137.29 48.83 24.28 26.89 35.64 7.12 5.08 23.24 4.02 0.07 21.57 3.27 64 R C C 123.06 6.42 13.14 20.76 107.14 -137.59 -80.00 118.59 50.43 14.97 34.60 36.84 6.97 5.94 30.66 3.99 0.05 13.73 1.81 65 R C H 141.19 4.26 13.81 19.12 102.75 -129.29 -80.71 -17.80 48.49 9.15 42.36 33.43 7.90 7.06 38.08 4.05 0.05 8.18 1.26 66 D C C 76.74 5.20 12.30 18.90 103.28 59.83 -81.95 -14.78 51.72 6.81 41.46 38.49 6.71 6.23 38.15 3.59 0.02 5.65 1.15 67 V H H 73.43 6.55 10.94 18.90 100.52 68.66 -74.72 -28.49 40.77 6.89 52.34 30.82 5.44 5.44 47.94 3.45 0.03 5.51 1.37 68 R H H 134.63 3.81 12.34 17.32 101.31 74.30 -77.88 -25.64 36.11 5.76 58.13 26.77 4.85 5.93 52.95 3.66 0.03 4.63 1.17 69 E H H 115.60 3.02 11.92 15.94 101.05 66.43 -75.90 -25.30 37.65 4.57 57.78 27.43 4.93 6.66 52.43 3.90 0.02 3.71 0.92 70 E H H 116.37 3.64 11.38 16.34 99.66 64.20 -75.27 -29.06 36.98 4.26 58.75 25.80 5.19 7.40 53.39 3.89 0.03 3.27 1.03 71 R H H 140.51 4.14 10.21 15.81 100.95 62.81 -79.28 -16.33 40.31 4.27 55.41 26.85 5.83 8.62 50.86 3.61 0.03 2.86 1.33 72 Q C H 118.14 3.29 10.08 14.84 103.28 70.63 -84.29 2.20 52.04 3.17 44.79 33.60 7.21 10.90 42.33 2.98 0.02 1.89 1.07 73 R C H 165.72 2.13 10.45 13.77 105.15 74.52 -86.50 31.73 59.81 2.23 37.96 33.62 9.76 15.78 35.21 3.59 0.02 1.26 0.77 74 G C C 49.59 3.69 9.79 15.03 110.80 -16.49 -68.69 49.24 71.43 1.75 26.82 38.71 10.86 21.27 23.07 4.43 0.01 0.98 0.68 75 S C C 81.96 2.96 9.31 13.85 109.46 88.40 -88.80 108.63 72.69 4.45 22.86 43.14 13.82 15.38 18.16 5.22 0.02 2.79 1.47 76 E C C 140.46 2.20 9.91 13.52 110.78 -139.46 -92.95 112.34 71.93 10.34 17.74 46.66 14.80 9.93 14.24 4.41 0.06 6.93 2.97 77 F C C 127.48 5.38 8.41 15.47 114.98 -156.96 -95.67 131.12 77.49 11.00 11.51 59.20 12.80 4.47 10.12 2.58 0.02 7.55 3.26 78 T C C 79.11 3.21 10.87 15.51 118.41 -158.14 -101.51 144.41 82.15 7.36 10.50 70.97 6.90 3.31 9.76 1.88 0.00 5.02 2.17 79 A H H 77.26 3.72 9.27 14.77 96.35 -119.41 -65.69 -29.23 41.95 2.90 55.15 22.75 7.18 12.45 35.88 18.90 0.07 1.92 0.85 80 S H H 86.48 1.64 10.65 12.94 97.12 61.99 -73.15 -21.35 40.10 2.79 57.11 14.13 7.32 18.49 36.57 20.63 0.20 1.79 0.86 81 D H H 99.89 3.05 10.33 14.64 100.22 55.90 -84.60 0.33 40.19 3.90 55.91 16.95 8.36 15.28 35.43 20.16 0.19 2.54 1.09 82 V C H 89.84 5.03 8.50 15.21 106.87 83.09 -87.16 73.42 52.79 4.65 42.55 31.37 13.10 10.37 33.86 6.96 0.10 2.53 1.70 83 K C C 144.17 2.38 10.43 14.12 109.71 95.60 -88.85 114.90 63.34 4.77 31.89 35.84 11.94 15.75 27.44 4.53 0.07 2.79 1.64 84 G C C 50.16 3.41 10.41 15.32 110.73 -110.74 -71.80 148.05 71.70 3.10 25.20 36.71 16.59 18.72 20.05 5.04 0.06 1.72 1.11 85 S C C 78.02 3.51 9.63 14.67 108.70 -80.61 -85.41 109.62 67.87 3.33 28.80 45.79 11.18 10.68 23.25 5.93 0.03 1.93 1.22 86 D C C 107.28 2.93 9.92 14.41 107.27 -142.72 -87.25 82.34 61.78 4.54 33.67 37.17 13.52 11.66 26.73 6.68 0.05 2.70 1.48 87 D C C 99.01 3.59 9.54 14.78 109.03 158.65 -92.13 107.09 59.47 5.08 35.44 39.78 10.02 9.93 28.84 6.61 0.03 3.29 1.50 88 K C H 132.13 3.64 9.62 14.89 108.62 131.25 -91.79 109.15 47.83 7.83 44.34 31.62 8.02 9.45 35.10 8.16 0.08 5.68 1.89 89 A C H 74.68 3.58 9.14 14.39 108.88 59.21 -88.31 100.33 48.40 8.50 43.10 29.10 8.53 11.91 33.61 8.47 0.11 6.43 1.82 90 T C H 94.69 3.39 8.95 13.94 107.00 85.15 -92.15 68.11 51.52 9.72 38.76 28.87 10.76 13.27 29.77 7.93 0.15 7.17 2.07 91 R C C 161.97 2.66 8.96 13.30 110.75 114.92 -89.26 121.41 61.60 10.28 28.12 35.02 14.11 13.03 21.90 6.14 0.11 7.28 2.39 92 K C C 153.24 2.07 8.60 12.30 110.89 -143.42 -91.45 120.16 71.81 9.45 18.73 44.49 14.34 12.69 14.48 4.86 0.04 6.63 2.48 93 K C C 144.32 2.57 8.63 13.07 115.94 -157.11 -98.34 134.94 80.71 8.82 10.47 54.27 19.02 7.29 7.63 3.12 0.03 5.55 3.09 94 E C C 137.09 2.36 9.15 13.33 116.20 -116.01 -85.21 140.12 92.96 3.81 3.23 73.83 17.10 2.25 2.15 1.06 0.00 2.38 1.22 95 P C C 91.32 3.94 7.92 13.89 113.71 -105.49 -66.65 148.49 87.25 3.53 9.21 76.67 5.23 5.71 4.58 4.24 0.00 2.19 1.37 96 A C C 86.84 2.09 8.02 11.76 110.69 -115.71 -77.55 138.40 81.16 4.07 14.76 55.46 13.83 11.75 6.18 8.70 0.01 2.31 1.78 97 D C C 119.23 1.50 8.56 11.33 110.25 -119.53 -87.72 124.97 80.53 4.75 14.72 51.84 16.60 12.15 6.25 8.43 0.01 2.81 1.91 98 E C C 138.10 2.63 7.65 12.17 114.30 -141.99 -90.95 132.90 82.01 4.28 13.71 55.42 18.11 8.60 7.49 6.10 0.01 2.43 1.83 99 D C C 95.77 3.04 7.95 12.80 111.92 -134.09 -91.45 119.62 89.81 1.23 8.96 74.13 12.43 3.12 7.51 1.64 0.00 0.65 0.51 100 P C C 105.43 2.34 8.12 12.18 99.07 -149.24 -69.04 -15.87 64.58 1.17 34.24 44.40 6.68 13.24 28.21 6.30 0.00 0.67 0.50 101 E C H 147.68 1.40 8.77 10.90 101.73 71.28 -82.16 0.47 53.14 2.13 44.73 32.28 8.27 13.43 36.46 7.45 0.03 1.28 0.79 102 V H H 99.95 3.25 7.57 12.48 108.11 88.22 -88.01 107.18 44.59 3.33 52.08 31.12 7.42 7.42 43.21 7.65 0.03 2.27 0.88 103 K H H 143.07 2.57 8.80 12.91 110.71 -142.32 -90.12 121.16 42.70 5.08 52.23 32.28 5.52 6.20 44.79 6.29 0.02 3.85 1.04 104 Q H H 129.09 2.46 8.84 12.83 112.02 -139.78 -90.42 126.86 41.01 7.07 51.92 30.26 5.50 6.60 45.08 5.52 0.04 5.76 1.25 105 L H H 118.79 3.08 8.07 12.93 112.52 -152.41 -90.78 127.92 42.74 7.88 49.38 31.25 5.79 6.75 43.90 4.50 0.04 6.44 1.32 106 E C H 136.11 2.57 8.96 13.18 113.29 -154.57 -93.29 128.82 49.13 8.08 42.78 35.36 6.21 7.54 39.38 3.62 0.03 6.40 1.46 107 K C C 142.68 2.83 8.87 13.44 114.59 -150.02 -92.06 133.77 55.74 7.16 37.10 38.32 7.97 9.06 34.51 3.38 0.04 5.16 1.56 108 E C C 135.83 2.82 9.16 13.64 113.08 -140.18 -90.49 132.64 63.35 5.64 31.02 39.45 9.51 13.68 28.36 3.70 0.04 3.76 1.51 109 G C C 49.57 3.67 9.46 14.71 113.95 -105.09 -98.04 153.99 71.45 5.15 23.40 39.85 13.70 17.92 18.54 5.11 0.05 3.20 1.64 110 E C C 138.07 2.47 9.22 13.15 109.20 -111.58 -86.88 117.96 69.20 6.29 24.51 35.74 15.01 19.15 17.14 7.00 0.07 3.65 2.24 111 D C C 107.19 2.74 9.19 13.43 106.99 -116.78 -86.04 73.63 73.30 5.17 21.52 32.48 16.52 25.53 12.69 7.86 0.08 2.83 2.01 112 G C C 52.28 3.32 9.26 14.16 103.93 -99.17 64.05 5.92 77.68 4.64 17.67 34.46 20.96 23.73 7.39 9.07 0.04 2.55 1.79 113 L C C 119.76 2.71 7.97 12.36 106.19 98.81 -85.17 57.26 75.81 7.34 16.85 41.47 16.24 19.30 6.14 9.78 0.05 4.53 2.49 114 D C C 115.61 1.85 8.22 11.54 108.63 104.48 -88.21 97.35 83.05 5.55 11.40 64.88 4.15 15.07 4.77 5.31 0.00 3.77 2.05 115 S C C 82.93 3.00 9.92 14.64 108.18 -153.82 -88.09 96.05 99.63 0.25 0.12 99.20 0.28 0.24 0.05 0.02 0.00 0.16 0.04