# 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 S C C 71.35 4.71 11.22 17.71 120.75 -159.77 -100.81 150.67 99.84 0.13 0.03 99.71 0.13 0.07 0.01 0.00 0.00 0.06 0.02 1 H C C 147.61 2.50 9.28 13.47 110.35 -141.24 -94.14 120.05 89.02 5.07 5.91 81.64 2.29 5.50 2.99 2.17 0.00 2.99 2.42 2 M C C 136.57 2.71 7.79 12.29 111.41 -163.91 -91.04 120.92 82.09 6.54 11.36 48.05 15.68 19.02 4.70 6.20 0.01 4.08 2.26 3 G C C 55.40 2.48 9.95 13.75 108.91 17.67 81.02 7.53 83.10 4.68 12.21 48.41 16.57 18.66 4.65 7.15 0.01 2.87 1.68 4 A C C 84.09 2.65 9.20 13.56 111.14 41.74 -90.55 119.71 78.62 4.69 16.69 37.91 18.61 23.20 6.97 8.85 0.02 2.87 1.57 5 G C C 51.79 3.21 10.12 15.01 112.80 16.31 116.75 165.21 78.65 5.80 15.54 36.88 19.94 23.02 6.69 8.03 0.03 3.87 1.54 6 K C C 142.22 3.33 10.15 15.26 115.88 -105.10 -94.18 134.87 71.72 12.95 15.33 50.28 13.77 7.72 8.53 6.82 0.02 10.23 2.63 7 K C C 132.16 4.79 10.21 16.76 115.48 -137.84 -90.86 133.08 63.04 23.13 13.83 50.35 7.07 4.93 9.01 5.04 0.02 20.69 2.88 8 R C C 151.85 4.82 12.04 18.15 107.60 -163.85 -93.28 24.19 53.59 31.53 14.89 38.95 9.31 4.83 11.42 4.29 0.05 28.25 2.90 9 F C C 94.24 10.41 10.08 21.27 125.64 13.46 -122.08 140.98 49.41 36.71 13.89 39.81 5.47 2.90 11.07 3.30 0.02 35.30 2.14 10 E C E 128.29 2.99 15.96 19.90 119.35 -155.21 -108.73 133.04 45.16 41.99 12.84 38.03 3.32 2.18 10.23 2.72 0.01 41.98 1.53 11 V C E 67.01 12.99 8.86 21.82 113.96 -144.35 -94.57 123.69 41.28 35.95 22.77 34.06 3.49 2.90 15.73 6.02 0.02 36.47 1.31 12 K C E 139.62 2.61 14.91 18.22 102.52 167.58 -95.95 -28.33 42.02 35.41 22.57 27.79 8.27 6.62 14.40 7.21 0.10 34.29 1.31 13 K C E 130.70 3.21 14.58 18.87 127.41 -0.56 -134.02 141.83 38.99 38.88 22.13 27.05 6.59 6.45 13.94 7.52 0.10 36.84 1.52 14 W C E 124.75 11.52 9.71 21.47 118.02 -161.40 -113.85 131.52 43.63 36.34 20.02 31.95 6.09 5.06 15.46 5.04 0.07 34.45 1.89 15 N C C 93.19 4.77 14.08 20.06 115.79 -165.25 -107.77 125.19 52.59 28.59 18.82 36.16 8.37 6.55 15.05 4.20 0.08 28.02 1.57 16 A C C 64.75 7.05 11.78 20.03 101.53 -137.75 -81.27 -10.53 47.60 24.21 28.19 28.60 9.48 8.37 23.00 5.76 0.16 23.05 1.58 17 V C E 86.13 6.09 13.02 20.27 106.10 68.84 -89.82 15.83 36.38 30.67 32.95 21.54 7.05 7.40 27.65 5.85 0.16 28.70 1.65 18 A H E 59.09 7.61 13.35 21.96 104.37 58.54 -80.60 38.22 29.11 35.06 35.84 17.22 5.55 6.10 29.73 6.43 0.10 33.44 1.42 19 L E E 84.63 8.04 13.77 22.81 106.17 73.38 -88.68 19.65 24.52 38.84 36.64 14.66 4.54 5.17 30.70 6.36 0.11 37.08 1.38 20 W E E 126.72 7.76 15.36 23.99 106.98 61.68 -84.90 68.59 24.51 40.36 35.13 15.20 4.23 4.81 29.74 6.00 0.08 38.45 1.49 21 A E E 41.50 11.72 14.34 26.60 103.39 70.70 -82.33 -21.49 26.85 37.99 35.17 16.98 4.58 4.91 29.67 5.87 0.07 36.54 1.39 22 W E E 115.75 10.42 15.60 26.38 101.67 60.85 -83.05 -19.20 27.96 36.57 35.47 15.49 5.63 6.75 29.66 6.16 0.12 34.82 1.38 23 D E E 83.54 6.99 18.11 25.71 103.02 59.03 -86.84 27.41 32.27 35.60 32.13 18.13 6.06 7.27 26.62 5.67 0.08 34.98 1.20 24 I E E 48.65 15.13 14.76 29.89 114.00 65.93 -97.13 121.23 30.13 41.41 28.46 20.21 4.58 3.96 24.99 4.11 0.02 40.91 1.22 25 V E E 60.00 10.31 19.06 29.91 115.01 -159.56 -100.75 121.12 30.09 45.48 24.43 21.71 3.68 3.15 22.61 3.35 0.02 43.62 1.83 26 V C E 35.22 17.01 14.31 30.98 113.35 -161.88 -99.50 118.37 37.77 36.82 25.40 27.33 4.79 4.58 20.52 5.72 0.05 34.92 2.10 27 D C C 91.64 5.73 18.71 25.16 100.76 71.86 -83.68 -15.16 56.24 22.80 20.96 25.27 13.04 18.19 15.00 6.06 0.15 20.72 1.57 28 N C C 100.50 5.36 19.24 25.08 101.82 27.26 -95.80 36.51 65.78 16.18 18.05 27.89 16.46 22.36 11.42 6.37 0.13 13.49 1.88 29 C C C 19.13 19.10 12.02 30.64 114.37 140.05 -86.59 130.56 75.58 12.38 12.04 62.26 8.78 3.69 10.26 2.82 0.01 8.40 3.76 30 A H H 48.51 7.86 21.05 29.63 95.12 -144.58 -65.66 -32.39 38.86 5.76 55.38 11.41 9.36 18.53 41.97 12.47 0.62 4.20 1.44 31 I H H 38.37 15.60 19.43 34.74 95.27 49.26 -71.91 -35.86 35.35 9.01 55.65 7.41 6.84 20.63 41.34 13.16 1.67 7.01 1.94 32 C H H 14.40 19.82 17.18 36.41 97.50 42.51 -79.42 -24.93 33.64 10.47 55.89 12.61 6.23 15.24 41.03 13.72 0.64 8.62 1.91 33 R H H 101.04 12.31 18.99 30.79 94.54 73.23 -65.09 -39.90 25.96 5.32 68.72 12.35 5.24 10.22 60.18 6.33 0.24 4.52 0.94 34 N H H 96.61 4.24 21.58 25.84 94.83 42.52 -70.78 -35.10 27.20 3.27 69.54 6.31 4.91 16.72 62.75 5.41 0.52 2.73 0.67 35 H H H 70.38 11.27 20.45 31.64 97.08 45.91 -75.60 -38.58 25.06 4.52 70.43 7.79 4.19 13.98 64.48 4.41 0.38 3.99 0.78 36 I H H 9.94 23.26 17.22 40.05 92.57 53.13 -64.73 -43.27 10.71 5.00 84.28 5.17 1.98 3.90 81.93 1.87 0.10 4.60 0.45 37 M H H 62.63 12.60 21.02 33.48 91.70 51.77 -63.40 -41.95 7.82 3.86 88.32 4.02 1.19 2.71 86.04 1.75 0.06 3.98 0.25 38 D H H 77.32 3.43 24.64 27.53 91.81 49.77 -65.00 -41.02 7.84 2.84 89.32 3.89 1.16 3.02 86.76 1.89 0.06 3.02 0.20 39 L H H 22.62 15.25 20.46 36.14 91.96 49.70 -64.95 -42.24 6.93 2.46 90.62 3.11 1.12 2.88 88.45 1.68 0.07 2.50 0.19 40 C H H 10.29 20.40 18.06 38.39 91.94 51.15 -63.91 -42.62 7.66 2.57 89.77 3.99 1.10 2.72 88.04 1.38 0.04 2.53 0.19 41 I H H 76.65 5.45 22.54 28.15 91.87 49.56 -64.35 -42.17 5.93 2.48 91.59 2.86 0.94 2.40 89.61 1.49 0.05 2.47 0.17 42 E H H 97.41 3.68 22.73 26.04 91.96 48.69 -65.24 -40.84 6.47 2.20 91.34 2.91 0.99 2.87 89.10 1.72 0.05 2.19 0.17 43 C H H 14.01 16.57 14.91 32.18 92.14 50.12 -65.85 -40.06 10.19 1.50 88.31 4.44 1.47 4.71 85.53 2.20 0.05 1.41 0.19 44 Q H H 84.09 9.81 17.08 27.35 92.53 52.87 -65.42 -36.84 15.18 0.98 83.85 5.43 2.24 8.09 80.68 2.52 0.07 0.74 0.23 45 A H H 73.38 2.24 17.01 19.09 92.81 54.03 -68.45 -34.20 26.53 0.72 72.75 5.30 4.13 17.83 69.04 2.86 0.16 0.38 0.31 46 N C H 93.38 4.60 14.70 20.33 100.33 41.19 -93.65 4.56 50.06 1.01 48.93 12.71 8.14 29.91 45.34 2.90 0.07 0.44 0.50 47 Q C C 90.06 10.26 11.41 22.14 98.49 103.19 -70.50 -12.98 63.40 2.06 34.54 32.62 11.49 20.11 28.38 5.37 0.03 0.89 1.10 48 A C T 75.55 3.39 13.86 18.44 96.63 85.12 -70.46 -28.01 68.86 1.61 29.53 22.54 13.55 33.56 21.04 7.65 0.04 0.77 0.86 49 S C T 76.00 3.17 14.07 18.01 100.91 48.44 -87.74 -2.91 73.41 1.80 24.79 24.58 16.17 33.58 15.78 8.02 0.04 0.84 1.00 50 A C C 50.42 10.61 9.52 20.70 105.33 108.52 -79.40 67.57 79.33 2.50 18.17 41.58 22.62 15.49 10.99 6.75 0.01 1.06 1.50 51 T C C 93.28 3.61 14.25 18.97 102.81 103.06 -88.61 -2.68 82.38 2.92 14.70 47.08 19.57 15.82 8.33 6.21 0.01 1.34 1.65 52 S C C 60.88 6.89 13.10 21.20 107.92 75.52 -87.34 68.70 75.34 2.44 22.22 37.53 20.87 17.34 9.42 12.31 0.01 1.08 1.43 53 E C T 121.99 6.15 15.24 22.49 99.71 -133.58 -76.19 -12.79 69.05 2.23 28.71 23.03 20.34 26.82 10.54 16.95 0.05 1.11 1.16 54 E C C 107.11 6.97 18.44 26.03 104.85 82.58 -87.60 35.75 65.69 7.44 26.88 29.11 15.75 22.63 9.13 16.44 0.06 5.09 1.79 55 C C C 19.88 20.17 14.35 33.83 115.95 103.11 -97.46 129.63 61.41 23.66 14.93 44.07 11.41 6.58 6.15 8.08 0.02 21.75 1.95 56 T E E 41.05 12.54 24.04 36.67 118.41 -162.34 -106.89 133.33 31.10 62.31 6.59 24.31 5.12 2.51 3.85 2.55 0.01 60.29 1.37 57 V E E 15.60 22.07 20.65 42.08 122.83 -160.56 -113.09 135.60 10.60 85.74 3.66 8.65 1.41 0.73 2.91 0.86 0.00 84.73 0.71 58 A E E 17.44 16.11 23.92 40.04 126.95 -167.18 -123.24 143.76 6.25 90.63 3.12 5.15 0.71 0.48 2.84 0.56 0.00 89.61 0.66 59 W E E 54.84 18.05 19.77 37.19 117.76 -143.02 -104.84 128.20 17.75 77.89 4.36 13.35 3.24 2.03 3.39 1.32 0.00 75.49 1.18 60 G C C 21.31 14.39 18.92 32.76 113.32 -168.71 -84.39 -144.33 71.31 23.94 4.75 30.62 17.65 22.70 1.33 3.19 0.00 23.53 0.98 61 V C T 70.79 10.35 20.24 30.47 94.70 -23.81 -72.79 -28.36 87.86 6.36 5.78 8.87 21.65 57.30 1.45 4.36 0.01 5.49 0.85 62 C C T 33.05 15.22 16.62 31.72 99.15 40.41 -93.81 1.72 92.23 2.87 4.90 8.99 21.65 61.61 1.13 3.92 0.00 2.14 0.56 63 N C S 92.70 8.16 21.55 30.10 95.21 -115.90 63.20 29.05 88.83 8.85 2.32 24.92 38.33 26.11 0.30 2.01 0.00 7.20 1.12 64 H C C 36.89 16.86 19.82 36.65 120.74 136.59 -100.64 143.13 62.85 36.57 0.58 49.61 9.70 1.84 0.19 0.39 0.00 37.32 0.95 65 A E E 15.74 18.81 23.86 42.27 124.78 -149.53 -115.37 139.06 13.41 86.30 0.30 11.74 1.43 0.20 0.19 0.10 0.00 85.61 0.72 66 F E E 8.09 23.06 22.99 45.78 135.80 -174.14 -137.22 154.43 2.70 97.18 0.12 2.57 0.20 0.02 0.13 0.02 0.00 95.93 1.12 67 H E E 22.27 17.24 23.86 41.35 114.76 -106.84 -72.88 143.23 15.50 84.36 0.14 15.79 0.37 0.03 0.13 0.04 0.00 81.91 1.72 68 F H H 46.64 17.69 20.36 37.93 91.87 -117.05 -58.52 -38.50 2.24 0.02 97.73 0.26 0.21 1.79 96.90 0.82 0.01 0.02 0.00 69 H H H 93.00 5.70 25.49 31.76 91.83 54.99 -63.91 -38.46 0.84 0.01 99.15 0.06 0.05 0.72 98.33 0.84 0.00 0.00 0.00 70 C H H 10.35 17.50 20.87 38.79 92.14 49.72 -65.88 -42.35 0.42 0.00 99.57 0.04 0.03 0.32 98.55 1.06 0.00 0.00 0.00 71 I H H 4.93 24.78 18.27 43.10 91.61 51.04 -63.42 -43.13 0.21 0.00 99.78 0.03 0.01 0.14 99.62 0.19 0.00 0.00 0.00 72 S H H 40.76 8.59 21.63 30.92 91.64 51.57 -63.43 -41.76 0.62 0.01 99.37 0.08 0.04 0.46 99.21 0.20 0.00 0.00 0.00 73 R H H 108.64 4.07 22.09 26.06 91.96 49.79 -65.02 -41.89 0.90 0.01 99.10 0.08 0.06 0.75 98.86 0.24 0.00 0.00 0.00 74 W H H 25.37 17.35 15.78 33.71 92.19 49.37 -64.80 -42.09 0.98 0.01 99.01 0.09 0.06 0.78 98.72 0.34 0.00 0.00 0.00 75 L H H 42.84 16.12 14.80 30.68 92.50 50.47 -66.59 -36.71 4.37 0.02 95.60 0.28 0.21 3.94 94.70 0.83 0.01 0.01 0.01 76 K H H 145.20 1.91 17.87 19.64 93.56 48.16 -71.43 -33.13 11.40 0.04 88.56 0.54 0.65 10.12 88.05 0.57 0.02 0.01 0.02 77 T H H 81.47 3.11 16.33 19.78 100.87 33.00 -102.43 -15.90 30.40 0.35 69.25 4.56 5.67 20.43 68.15 0.77 0.08 0.11 0.23 78 R C C 116.23 10.68 15.26 26.26 98.27 -124.78 56.43 43.51 95.87 1.83 2.31 45.03 30.71 20.42 1.64 0.64 0.00 0.99 0.57 79 Q C C 82.92 10.06 18.19 28.64 101.16 121.20 -97.97 47.21 88.63 10.89 0.47 49.91 33.69 4.93 0.14 0.34 0.00 10.35 0.65 80 V E B 43.61 10.06 20.66 31.88 129.66 90.16 -128.34 145.04 7.86 92.06 0.08 6.27 0.68 0.03 0.09 0.01 0.00 15.98 76.95 81 C C C 6.15 21.20 14.09 36.50 109.59 -115.24 -76.06 124.66 90.54 9.43 0.03 91.20 0.53 0.07 0.01 0.01 0.00 6.90 1.27 82 P C T 46.48 10.66 19.48 31.75 92.81 -149.16 -67.60 -23.73 99.53 0.13 0.34 0.73 4.33 94.54 0.02 0.26 0.00 0.09 0.03 83 L C T 68.32 11.61 17.24 28.96 97.75 48.40 -80.89 -40.35 99.47 0.14 0.40 0.31 3.33 95.95 0.02 0.27 0.00 0.07 0.03 84 D C T 71.77 5.78 15.66 22.77 101.60 21.45 -107.42 -6.11 99.39 0.18 0.43 1.85 5.38 92.20 0.05 0.37 0.00 0.12 0.05 85 N C C 113.74 4.58 14.53 21.05 93.54 -125.51 64.75 26.00 99.26 0.46 0.27 74.30 8.37 16.61 0.08 0.17 0.00 0.28 0.19 86 R C C 110.39 5.56 14.85 22.35 119.97 145.20 -82.68 146.84 82.83 16.80 0.37 72.49 9.62 0.56 0.18 0.23 0.00 13.41 3.51 87 E E B 125.74 4.18 18.00 23.55 114.80 -109.99 -75.99 136.51 10.73 88.88 0.39 8.66 0.57 0.15 0.34 0.11 0.00 27.61 62.56 88 W C C 37.66 21.15 9.70 29.61 123.49 -158.28 -110.33 146.42 88.16 11.09 0.76 85.74 2.07 0.44 0.20 0.45 0.00 10.52 0.58 89 E C C 121.04 2.97 22.19 25.25 120.97 -148.90 -112.79 139.58 82.46 16.05 1.49 77.33 4.49 0.85 0.47 0.85 0.00 14.43 1.59 90 F C C 78.15 16.57 11.25 27.02 115.08 -122.75 -87.90 132.90 65.34 32.38 2.28 60.03 3.73 1.32 0.92 1.23 0.00 26.70 6.07 91 Q C C 94.29 6.42 14.43 22.36 120.19 -164.25 -108.37 138.70 65.23 31.78 2.99 56.71 5.53 2.71 0.98 1.84 0.00 29.81 2.41 92 K C C 137.31 4.16 13.36 19.32 112.95 -126.92 -88.22 130.49 65.69 29.73 4.58 52.38 7.55 5.76 1.33 3.22 0.01 26.56 3.19 93 Y C C 127.51 8.37 9.47 18.83 113.98 -147.08 -94.98 126.90 79.45 16.91 3.64 43.16 13.63 23.60 0.96 2.54 0.01 14.39 1.70 94 G C C 54.43 2.59 11.52 15.44 110.28 17.80 89.63 -6.96 90.69 7.62 1.69 61.63 6.73 22.26 0.37 1.21 0.00 6.91 0.88 95 H C C 137.32 3.45 11.78 16.92 110.65 24.95 -93.54 108.75 99.58 0.39 0.04 99.35 0.23 0.10 0.01 0.01 0.00 0.26 0.04