# 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 93.79 4.83 13.51 19.62 106.23 -165.26 -90.99 81.49 99.88 0.05 0.07 99.66 0.14 0.14 0.03 0.01 0.00 0.02 0.01 1 G C C 46.51 6.30 10.45 18.12 100.65 -132.22 1.79 1.86 68.09 0.69 31.21 51.64 2.76 14.72 8.20 21.94 0.00 0.40 0.34 2 E C G 133.26 2.93 10.84 15.36 100.64 92.09 -75.85 -11.92 55.34 1.35 43.31 20.31 10.55 25.02 9.58 33.17 0.01 0.72 0.63 3 E C G 127.51 3.81 11.05 16.44 105.57 65.73 -85.30 42.65 52.25 2.75 45.00 23.96 11.31 17.89 11.01 33.24 0.02 1.57 1.00 4 K C C 118.90 6.56 12.06 20.09 111.24 85.88 -90.73 118.69 68.74 7.28 23.98 46.14 13.44 9.45 10.49 13.52 0.02 4.65 2.29 5 T C C 77.10 7.07 13.84 22.25 119.32 -154.62 -104.32 139.54 66.70 23.44 9.86 48.94 9.88 6.12 6.06 4.30 0.05 14.55 10.09 6 Y C C 101.50 11.68 12.58 24.72 115.19 -148.84 -99.87 125.82 69.34 22.89 7.77 43.95 13.50 11.59 3.74 4.12 0.03 16.09 6.97 7 G C C 41.95 7.42 15.36 23.52 112.47 13.04 77.22 42.16 84.08 9.18 6.74 32.44 21.50 31.21 1.87 4.76 0.01 6.24 1.97 8 G C C 44.95 6.70 15.27 22.85 109.23 13.97 86.33 4.11 87.86 4.90 7.25 31.18 28.01 28.97 1.35 6.12 0.00 2.81 1.57 9 C C C 66.83 10.74 11.05 22.15 109.22 79.23 -90.43 95.38 85.15 7.46 7.39 50.60 19.72 14.40 1.79 6.19 0.00 3.99 3.30 10 E C C 139.00 2.80 13.83 17.80 109.67 105.69 -97.49 87.97 87.91 6.64 5.44 41.43 32.42 14.13 1.33 4.28 0.00 3.32 3.09 11 G C S 35.31 4.64 13.78 19.77 129.12 11.20 122.74 170.79 92.71 3.29 4.00 24.56 58.34 9.71 0.73 3.15 0.00 1.59 1.93 12 P C T 109.31 3.10 12.55 16.91 95.45 -60.68 -68.65 -20.03 87.35 0.65 12.00 5.84 12.40 67.52 0.83 12.67 0.00 0.37 0.37 13 D C T 111.94 2.43 15.33 18.53 96.76 52.48 -88.46 -0.15 87.29 1.18 11.52 8.08 11.43 66.40 0.91 11.96 0.00 0.76 0.44 14 A C C 26.79 13.50 12.37 26.97 119.04 107.53 -88.23 144.50 81.41 7.75 10.84 51.04 21.00 9.35 1.51 9.94 0.00 5.33 1.83 15 M C C 56.64 12.03 18.75 31.61 117.32 -138.88 -100.05 132.89 64.57 32.63 2.80 50.47 8.72 4.58 0.56 2.28 0.00 31.92 1.48 16 Y E E 63.94 14.26 20.94 35.26 125.56 -150.62 -116.84 141.32 12.79 87.13 0.07 11.14 1.46 0.14 0.02 0.05 0.00 86.75 0.44 17 V E E 6.88 22.54 18.57 41.70 123.71 -162.51 -119.65 136.16 0.83 99.16 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.18 0.02 18 K E E 64.70 10.90 25.87 37.30 117.98 -149.81 -103.34 128.92 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 19 L E E 4.77 24.61 17.86 43.16 122.34 -167.67 -115.11 133.93 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 20 I E E 42.84 9.55 23.98 34.84 116.93 -155.27 -109.32 125.87 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.59 0.07 21 S C C 9.18 18.35 13.70 32.81 125.07 -143.37 -84.64 170.60 80.42 19.56 0.02 80.79 0.32 0.04 0.00 0.01 0.00 18.26 0.58 22 S C T 72.47 7.00 15.32 23.82 89.91 -97.14 -62.78 -21.87 99.33 0.20 0.47 0.29 3.57 95.54 0.01 0.43 0.00 0.13 0.03 23 D C T 96.10 3.31 15.26 19.56 92.39 58.92 -87.01 1.49 99.49 0.06 0.45 0.18 3.34 96.02 0.01 0.42 0.00 0.03 0.01 24 G C S 45.00 4.17 15.60 21.00 97.23 -101.56 90.37 5.59 99.39 0.33 0.28 14.43 83.95 1.14 0.03 0.18 0.00 0.14 0.13 25 H C C 68.86 9.62 14.92 26.21 117.90 138.79 -78.62 141.51 96.46 3.52 0.02 96.04 1.02 0.05 0.01 0.01 0.00 2.27 0.60 26 E E E 87.82 11.47 18.72 30.65 121.59 -150.82 -112.06 134.24 0.86 99.14 0.00 0.85 0.03 0.00 0.00 0.00 0.00 98.91 0.21 27 F E E 21.76 19.82 18.75 38.54 129.54 -173.83 -128.19 142.93 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 28 I E E 50.46 12.48 25.00 37.75 116.94 -145.48 -105.14 126.11 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 29 V E E 4.70 24.34 17.63 42.55 126.35 -174.17 -124.01 139.62 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 30 K E E 70.85 8.49 24.98 34.00 112.94 -116.46 -73.48 138.44 7.05 92.94 0.01 7.16 0.09 0.00 0.00 0.00 0.00 92.56 0.18 31 R H H 67.49 18.82 15.67 33.77 91.52 -127.97 -57.71 -38.87 4.32 0.04 95.64 0.50 0.43 3.21 79.17 16.62 0.02 0.03 0.01 32 E H H 118.91 3.24 23.57 26.92 91.28 57.02 -63.21 -37.74 2.04 0.01 97.95 0.16 0.15 1.63 82.43 15.62 0.00 0.01 0.00 33 H H H 51.12 12.58 20.90 33.69 92.37 49.34 -67.72 -38.75 1.28 0.01 98.71 0.11 0.10 0.96 83.80 15.02 0.00 0.00 0.00 34 A H H 2.50 25.64 14.65 40.62 91.66 53.44 -65.89 -36.91 4.93 0.03 95.04 0.51 0.44 3.55 83.05 12.42 0.01 0.02 0.01 35 L C T 68.16 12.04 19.08 31.33 91.87 57.10 -75.02 -18.38 50.47 0.17 49.36 2.37 2.23 45.61 42.40 7.15 0.04 0.08 0.12 36 T C T 84.36 4.96 20.47 25.78 94.61 63.58 -84.90 -9.93 72.02 0.27 27.71 4.76 7.15 59.46 22.47 5.82 0.02 0.11 0.20 37 S C C 27.35 16.33 11.77 27.99 116.23 86.72 -90.43 136.12 97.05 1.18 1.76 53.33 42.56 1.02 1.50 0.27 0.00 0.22 1.10 38 G H H 50.13 2.73 19.36 22.55 94.60 -140.33 -62.87 -39.71 11.60 0.07 88.34 1.52 4.65 5.37 87.70 0.68 0.02 0.02 0.04 39 T H H 65.64 8.12 19.39 27.89 92.60 51.34 -66.60 -40.22 3.90 0.02 96.07 0.49 0.58 2.67 95.62 0.61 0.01 0.01 0.01 40 I H H 8.37 23.35 14.95 38.21 91.98 47.68 -65.21 -42.50 1.25 0.02 98.73 0.30 0.14 0.73 98.26 0.55 0.00 0.01 0.00 41 K H H 88.50 11.86 18.98 30.77 91.13 52.75 -61.49 -42.17 0.53 0.01 99.46 0.12 0.05 0.29 99.07 0.46 0.00 0.00 0.00 42 A H H 58.56 3.40 22.32 25.38 91.55 51.18 -64.32 -40.12 0.90 0.01 99.10 0.11 0.06 0.62 98.40 0.79 0.00 0.00 0.00 43 M H H 52.29 14.17 19.06 33.09 92.39 49.97 -67.79 -36.70 2.39 0.01 97.59 0.17 0.15 2.01 96.40 1.25 0.01 0.01 0.00 44 L H H 24.04 21.03 15.95 36.13 93.46 50.80 -73.76 -25.06 11.33 0.06 88.62 0.64 0.81 10.08 87.26 1.13 0.03 0.02 0.03 45 S H H 64.95 6.44 19.34 26.08 98.69 54.90 -89.11 -7.54 45.37 0.70 53.92 6.44 8.66 30.67 51.64 1.80 0.11 0.23 0.46 46 G C C 26.78 8.69 14.28 24.12 129.16 141.41 -75.51 177.47 94.75 1.63 3.62 50.14 38.78 5.81 1.41 2.02 0.00 0.60 1.25 47 P C T 103.80 3.19 14.89 19.07 106.47 -51.61 -65.80 129.77 79.19 0.95 19.86 12.75 14.37 52.03 4.16 15.54 0.01 0.49 0.65 48 G C T 49.32 4.77 14.29 20.36 100.98 16.49 81.27 -3.57 77.37 1.16 21.47 12.14 13.61 51.43 5.07 16.40 0.01 0.64 0.70 49 Q C C 100.67 7.03 14.99 23.13 102.20 99.09 -88.09 -9.96 70.61 4.41 24.98 35.93 18.29 17.13 7.49 16.68 0.03 2.06 2.39 50 F C C 77.89 13.47 11.97 25.36 111.85 64.20 -97.45 116.17 69.86 10.01 20.13 41.33 15.00 13.49 9.41 10.45 0.09 4.87 5.35 51 A C C 54.59 7.39 14.54 23.12 110.93 -137.13 -83.75 141.49 74.27 5.97 19.76 47.65 13.29 13.14 9.14 10.71 0.02 3.33 2.72 52 E C T 128.14 4.77 13.81 20.06 103.71 -115.95 -78.20 22.25 76.86 3.68 19.46 26.04 20.26 31.97 7.29 10.79 0.05 1.87 1.73 53 N C C 90.40 6.29 13.44 20.85 107.48 43.77 -96.98 76.90 82.31 2.43 15.26 33.70 19.43 30.25 4.78 9.43 0.01 1.17 1.23 54 E C C 113.35 7.58 12.91 21.58 98.32 -143.78 -75.71 -9.83 80.68 2.88 16.44 39.88 20.40 21.03 5.02 10.76 0.01 1.42 1.48 55 T C C 79.46 6.31 15.71 22.98 99.22 72.54 -85.72 -6.99 82.24 3.80 13.96 33.17 23.76 26.55 3.84 9.19 0.01 2.22 1.26 56 N C C 66.60 12.00 15.52 27.70 100.12 69.65 -93.88 21.37 78.64 11.31 10.05 40.78 23.00 15.89 2.76 7.05 0.01 8.99 1.53 57 E C E 75.71 12.37 19.01 31.51 121.94 115.88 -101.30 140.53 50.48 46.65 2.87 40.64 7.89 1.80 1.70 1.45 0.01 42.69 3.83 58 V E E 15.87 21.00 16.14 37.35 120.01 -157.68 -110.88 130.05 23.65 74.83 1.52 21.25 1.78 0.34 1.13 0.56 0.00 70.83 4.12 59 N E E 67.91 7.76 24.41 32.66 109.78 -138.34 -90.93 117.41 21.78 76.30 1.92 20.50 0.82 0.36 1.38 0.74 0.00 71.71 4.49 60 F C C 15.11 24.09 12.78 36.93 97.94 -169.83 -90.07 -5.31 54.52 8.51 36.97 41.59 4.97 7.00 2.37 35.84 0.00 7.41 0.82 61 R C T 139.00 6.62 18.60 26.67 91.90 93.45 -64.66 -24.35 59.75 2.64 37.60 5.26 8.84 43.74 1.07 38.74 0.00 1.89 0.45 62 E C T 127.19 3.59 20.28 24.31 94.38 53.91 -87.34 -5.40 59.07 1.57 39.36 4.53 8.61 43.34 0.96 41.21 0.00 1.06 0.29 63 I C S 13.03 23.73 9.58 32.56 118.07 93.28 -90.28 134.13 98.84 0.99 0.18 18.31 80.59 0.23 0.07 0.05 0.00 0.32 0.44 64 P C C 58.08 5.01 21.73 27.35 114.74 -106.99 -64.48 145.82 98.61 1.22 0.17 98.52 0.33 0.05 0.12 0.01 0.00 0.32 0.64 65 S H H 49.45 13.70 15.00 29.04 91.42 -116.14 -58.51 -36.98 1.81 0.00 98.18 0.20 0.23 1.24 97.92 0.41 0.00 0.00 0.00 66 H H H 112.69 4.55 22.26 27.34 91.48 55.99 -64.35 -37.71 0.66 0.00 99.34 0.04 0.04 0.54 98.99 0.40 0.00 0.00 0.00 67 V H H 18.15 17.07 20.32 37.45 92.53 50.04 -65.53 -42.68 0.17 0.00 99.83 0.02 0.01 0.12 99.58 0.27 0.00 0.00 0.00 68 L H H 7.19 24.32 19.47 43.74 91.34 50.61 -63.00 -42.83 0.06 0.00 99.94 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 69 S H H 37.77 11.35 24.15 35.49 91.41 51.88 -62.97 -41.27 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 70 K H H 69.97 11.00 25.84 36.97 91.77 50.21 -65.00 -41.44 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 71 V H H 2.43 25.45 22.68 47.88 91.50 49.42 -64.08 -43.62 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 72 C H H 8.61 21.31 23.48 44.18 91.17 51.17 -62.95 -42.54 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 M H H 70.28 8.97 26.79 36.42 91.54 50.96 -63.51 -42.22 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 74 Y H H 24.61 17.37 23.34 40.57 91.43 50.62 -63.60 -43.30 0.13 0.00 99.87 0.00 0.00 0.10 99.84 0.05 0.00 0.00 0.00 75 F H H 11.12 21.98 21.51 43.05 91.52 49.56 -64.59 -41.95 0.32 0.00 99.68 0.02 0.01 0.25 99.58 0.14 0.00 0.00 0.00 76 T H H 37.52 12.59 22.32 34.99 91.90 51.12 -65.12 -41.03 1.71 0.00 98.29 0.11 0.09 1.43 97.92 0.45 0.00 0.00 0.00 77 Y H H 68.55 10.56 20.88 32.05 92.48 50.79 -66.05 -39.68 5.74 0.02 94.24 0.52 0.45 4.63 93.08 1.28 0.01 0.01 0.01 78 K H H 62.33 14.18 18.47 32.34 92.42 52.77 -66.32 -36.96 12.36 0.11 87.53 1.95 1.35 9.05 84.16 3.35 0.04 0.05 0.05 79 V H H 44.85 13.10 17.06 30.46 93.57 51.29 -69.49 -35.14 24.54 0.55 74.91 5.47 3.94 15.97 68.59 5.36 0.13 0.26 0.28 80 R H H 126.91 5.70 18.71 25.00 95.39 55.77 -76.47 -18.37 39.34 1.94 58.72 14.17 6.72 20.50 51.73 4.88 0.15 0.87 0.97 81 Y C C 82.95 11.55 12.50 24.75 102.39 65.68 -88.06 20.19 69.17 3.44 27.39 48.00 7.90 11.96 25.46 3.31 0.01 1.51 1.85 82 T C C 72.52 8.01 12.69 21.74 104.44 123.04 -86.03 -4.69 78.79 2.71 18.50 42.73 11.24 24.68 15.26 3.40 0.01 1.30 1.36 83 N C C 123.30 2.34 13.66 16.89 100.24 34.49 -87.52 13.94 86.43 1.50 12.08 33.45 20.81 33.08 7.54 3.64 0.01 0.66 0.81 84 S C C 54.61 7.20 9.91 18.65 118.19 100.33 -100.96 143.96 92.58 1.16 6.26 53.62 22.05 17.09 2.80 3.15 0.00 0.49 0.80 85 S C C 87.67 3.24 12.10 16.31 98.33 -144.05 -82.06 -6.00 94.44 0.84 4.72 40.76 32.95 20.89 1.21 3.35 0.00 0.38 0.47 86 T C S 86.99 4.49 12.40 18.41 108.84 75.81 -91.13 22.31 93.69 1.91 4.40 36.66 43.63 13.62 0.99 3.27 0.00 0.97 0.85 87 E C C 125.64 3.94 16.25 21.21 114.93 -25.25 -96.61 133.37 90.27 6.09 3.64 61.96 22.41 5.46 1.03 2.83 0.00 2.98 3.34 88 I C C 45.53 18.22 10.65 28.05 115.27 -130.21 -90.92 129.14 96.48 2.86 0.66 87.39 8.58 0.57 0.29 0.32 0.00 1.58 1.27 89 P C C 45.35 9.92 15.65 27.19 115.38 -115.08 -68.02 151.67 98.24 0.96 0.80 94.68 2.35 1.40 0.18 0.51 0.00 0.58 0.30 90 E C C 136.90 3.75 18.57 23.87 113.87 -107.46 -79.03 135.55 96.49 2.75 0.77 88.56 6.00 1.53 0.18 0.68 0.00 1.17 1.87 91 F C C 38.76 19.88 10.59 29.64 119.57 -148.73 -104.62 134.89 98.34 1.52 0.14 92.42 5.73 0.31 0.06 0.07 0.00 0.71 0.71 92 P C C 94.55 3.25 22.23 25.25 104.05 -126.51 -74.74 65.46 99.02 0.88 0.10 85.38 12.91 0.82 0.03 0.06 0.00 0.45 0.35 93 I C C 33.13 20.16 10.08 29.13 123.94 112.93 -112.36 140.93 98.08 1.79 0.12 81.02 16.50 0.23 0.07 0.04 0.00 0.43 1.71 94 A C C 49.13 4.91 18.37 24.17 114.90 -105.16 -67.26 147.76 99.75 0.11 0.14 99.20 0.57 0.06 0.10 0.01 0.00 0.03 0.05 95 P H H 81.63 8.11 13.90 23.23 91.72 -113.02 -57.41 -37.71 3.71 0.01 96.28 0.64 0.36 2.39 95.15 1.46 0.00 0.00 0.00 96 E H H 121.37 2.76 19.37 22.34 91.65 54.88 -63.94 -38.22 1.94 0.00 98.05 0.25 0.13 1.37 96.52 1.72 0.00 0.00 0.00 97 I H H 29.02 15.11 16.73 32.35 92.23 49.50 -66.33 -40.99 0.65 0.00 99.35 0.10 0.05 0.42 97.90 1.53 0.00 0.00 0.00 98 A H H 15.13 18.05 16.71 35.03 91.17 52.11 -62.40 -42.75 0.15 0.00 99.85 0.02 0.01 0.08 99.73 0.15 0.00 0.00 0.00 99 L H H 78.46 5.39 23.00 28.24 91.52 50.79 -63.99 -41.38 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 100 E H H 73.28 9.23 22.42 32.04 91.54 50.70 -64.45 -41.67 0.04 0.00 99.96 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 101 L H H 11.04 22.55 18.77 40.97 91.71 50.37 -64.16 -42.52 0.03 0.00 99.97 0.00 0.00 0.02 99.95 0.03 0.00 0.00 0.00 102 L H H 56.54 12.32 22.52 34.50 91.33 50.58 -63.14 -42.10 0.05 0.00 99.95 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 103 M H H 87.86 4.25 24.75 28.72 91.63 49.71 -64.08 -41.54 0.18 0.00 99.82 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 104 A H H 11.83 14.75 18.61 34.69 91.62 50.90 -63.95 -42.30 0.39 0.00 99.61 0.03 0.02 0.29 99.41 0.25 0.00 0.00 0.00 105 A H H 14.20 17.74 16.00 34.15 91.44 51.74 -63.14 -41.74 1.14 0.00 98.86 0.12 0.07 0.84 97.78 1.20 0.00 0.00 0.00 106 N H H 97.08 4.33 19.40 24.00 91.79 50.30 -65.30 -39.26 4.61 0.00 95.39 0.30 0.21 3.94 93.21 2.33 0.00 0.00 0.00 107 F H H 120.57 4.95 17.26 23.12 92.27 51.01 -67.85 -31.66 12.20 0.02 87.78 0.71 0.66 10.70 86.09 1.80 0.01 0.01 0.01 108 L C H 53.52 13.33 12.33 26.12 95.95 49.82 -88.81 -1.28 49.81 0.64 49.55 5.32 6.23 37.69 47.71 2.30 0.10 0.24 0.41 109 D C T 116.07 2.37 17.78 20.87 96.18 -123.22 54.86 45.30 92.02 0.47 7.50 32.66 1.79 57.13 7.16 0.79 0.00 0.21 0.27 110 C C C 40.02 17.18 12.04 28.18 106.19 167.14 -91.41 35.79 99.92 0.07 0.01 99.86 0.07 0.03 0.01 0.00 0.00 0.03 0.01