# 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 P C C 89.29 4.29 13.56 19.05 112.98 -115.76 -71.34 145.32 99.87 0.10 0.03 99.81 0.08 0.04 0.02 0.00 0.00 0.04 0.02 1 L C C 102.31 5.99 9.26 16.75 109.85 -118.55 -77.83 129.98 86.84 4.36 8.80 83.33 1.33 2.54 7.24 1.14 0.00 1.66 2.77 2 A C C 61.74 5.12 9.78 16.53 109.10 -110.52 -78.07 125.98 77.18 3.21 19.60 66.61 5.93 4.42 16.38 3.46 0.00 1.38 1.82 3 K H H 136.67 3.39 11.14 16.05 98.34 -130.68 -70.97 -30.30 25.29 1.30 73.41 9.86 5.29 10.32 50.23 22.94 0.12 0.78 0.45 4 D H H 94.97 3.95 11.42 16.90 96.28 59.87 -74.74 -17.83 21.05 0.97 77.98 6.93 3.41 9.66 51.81 27.20 0.08 0.63 0.28 5 L H H 90.69 6.67 11.53 19.46 95.98 65.04 -77.12 -17.08 22.26 0.88 76.85 5.78 3.76 11.38 51.26 26.88 0.12 0.51 0.32 6 L H H 89.36 6.93 12.95 21.04 98.60 58.16 -88.05 -10.86 42.13 2.46 55.41 10.15 13.44 21.47 40.35 11.24 0.66 0.98 1.70 7 H C S 106.14 6.02 12.94 20.54 113.28 68.38 -104.23 108.52 98.66 1.11 0.23 32.57 65.77 0.54 0.14 0.06 0.00 0.37 0.53 8 P C C 51.83 9.16 10.26 21.13 118.39 -132.96 -71.40 153.61 98.75 1.17 0.08 93.31 5.22 0.20 0.04 0.03 0.00 0.36 0.84 9 S C C 56.36 2.98 14.84 18.47 116.26 -104.19 -69.11 156.22 99.69 0.20 0.11 98.80 0.88 0.05 0.08 0.01 0.00 0.05 0.13 10 P H H 88.78 4.45 11.02 17.26 91.82 -109.09 -58.07 -37.84 4.41 0.02 95.57 1.27 0.61 2.39 94.26 1.46 0.00 0.01 0.01 11 E H H 130.71 1.22 13.45 14.26 92.20 52.60 -64.72 -39.73 2.83 0.03 97.14 0.78 0.29 1.72 95.46 1.71 0.00 0.02 0.01 12 E H H 95.27 2.50 13.05 16.40 92.21 49.20 -65.84 -39.63 1.60 0.06 98.34 0.58 0.21 0.85 96.48 1.83 0.00 0.05 0.01 13 E H H 71.11 6.38 10.90 19.24 92.10 51.79 -65.01 -40.45 1.82 0.05 98.13 0.70 0.21 0.91 97.15 0.97 0.00 0.04 0.01 14 K H H 116.27 3.26 13.33 17.60 92.29 51.38 -65.64 -38.72 4.25 0.09 95.66 1.06 0.40 2.66 94.65 1.15 0.01 0.05 0.02 15 R H H 150.94 1.48 14.33 15.41 92.78 50.05 -67.81 -36.91 8.90 0.08 91.03 1.26 0.72 6.43 90.20 1.31 0.01 0.04 0.03 16 K H H 120.11 3.26 13.78 17.95 93.92 51.35 -72.94 -30.30 23.01 0.29 76.70 4.18 2.97 15.63 75.27 1.66 0.04 0.11 0.15 17 H C H 83.57 7.96 10.35 19.62 100.17 57.42 -88.10 5.77 52.67 1.72 45.61 22.85 8.29 21.36 43.29 2.64 0.04 0.77 0.78 18 K C C 124.72 4.07 12.56 18.12 98.35 96.71 -69.80 -31.83 57.83 4.05 38.12 35.96 7.66 13.84 32.14 6.49 0.03 2.26 1.62 19 K C H 138.19 2.80 13.02 16.72 98.47 64.32 -74.65 -23.10 57.99 4.30 37.71 27.04 11.62 19.34 27.71 10.07 0.06 2.76 1.39 20 K C C 121.23 5.30 12.61 19.15 101.35 60.13 -85.73 -2.04 61.93 6.50 31.58 33.45 12.81 15.62 21.17 10.57 0.08 4.40 1.89 21 R C C 127.01 6.78 13.03 21.03 108.30 86.54 -88.70 103.46 67.61 10.42 21.97 45.62 11.60 9.60 15.43 7.26 0.04 6.87 3.57 22 L C C 81.67 9.18 12.65 22.67 105.21 74.99 -83.48 48.73 68.95 14.05 17.00 45.88 13.51 9.00 11.67 5.91 0.06 8.60 5.37 23 V C C 78.36 7.85 12.69 21.60 111.14 85.93 -90.35 124.56 79.72 7.90 12.38 42.30 19.76 18.38 7.09 5.02 0.03 4.94 2.49 24 Q C C 123.86 3.93 13.74 18.93 101.28 20.68 -82.98 2.17 88.75 3.78 7.47 41.79 26.90 20.58 2.90 4.24 0.00 2.08 1.49 25 S C C 47.21 7.02 12.07 20.91 119.82 72.22 -116.76 133.69 96.52 2.72 0.76 59.76 34.94 1.86 0.23 0.47 0.00 1.08 1.66 26 P C T 94.07 4.91 12.99 19.49 95.91 -123.06 -65.47 -16.77 96.02 0.72 3.26 13.08 12.32 70.23 0.32 3.33 0.00 0.45 0.28 27 N C T 105.81 4.43 15.15 20.60 97.36 56.42 -90.71 7.11 95.45 1.54 3.00 13.61 12.20 69.38 0.33 2.97 0.00 1.10 0.41 28 S C C 32.74 13.57 12.26 26.56 120.07 113.54 -95.28 142.42 85.22 11.58 3.21 62.23 16.32 6.41 0.50 3.15 0.00 9.07 2.31 29 Y C C 99.87 9.37 18.78 28.68 126.84 -170.63 -123.50 144.33 70.07 29.14 0.80 47.79 19.19 3.03 0.15 0.76 0.00 27.41 1.67 30 F E E 74.08 15.17 16.10 30.92 121.85 -136.81 -108.83 136.80 22.13 77.71 0.16 19.29 2.01 0.29 0.04 0.13 0.00 77.12 1.13 31 M E E 55.73 12.32 18.11 31.11 124.45 -167.05 -120.47 141.05 6.48 93.49 0.03 5.66 0.59 0.05 0.01 0.02 0.00 93.24 0.42 32 D E E 81.17 8.34 19.91 28.73 113.33 -128.32 -90.72 124.79 3.36 96.63 0.01 2.85 0.42 0.03 0.00 0.01 0.00 96.62 0.06 33 V E E 27.02 17.04 14.85 32.24 125.48 -176.05 -125.27 138.75 3.94 96.05 0.01 3.66 0.16 0.01 0.00 0.00 0.00 96.01 0.15 34 K E E 120.51 4.87 20.92 26.65 116.21 -136.20 -96.38 130.27 12.01 87.97 0.01 11.00 0.58 0.03 0.00 0.01 0.00 86.68 1.70 35 C C C 15.59 19.59 10.14 29.30 114.14 -133.23 -83.61 131.54 93.91 6.06 0.02 92.98 1.23 0.09 0.00 0.01 0.00 5.34 0.35 36 P C T 89.56 4.22 16.67 21.84 109.41 -105.40 -61.41 134.48 98.28 0.78 0.94 1.22 7.67 89.29 0.03 1.07 0.00 0.60 0.12 37 G C T 59.57 1.58 15.93 17.16 95.33 17.10 85.33 -2.69 98.56 0.67 0.76 0.67 7.84 90.02 0.02 0.86 0.00 0.50 0.09 38 C C C 35.62 13.44 8.58 22.23 129.66 85.88 -120.14 156.23 83.42 15.15 1.42 51.95 26.60 5.30 0.23 1.52 0.00 9.33 5.06 39 Y C S 177.47 2.04 15.64 18.03 96.82 -141.51 -82.78 -10.65 89.60 10.14 0.26 22.36 61.65 5.46 0.03 0.28 0.00 9.46 0.76 40 K C S 115.75 4.41 16.48 22.11 121.64 77.72 -104.17 143.71 67.69 32.08 0.22 31.06 34.43 2.81 0.02 0.22 0.00 30.60 0.85 41 I E E 67.46 14.11 13.65 27.90 119.12 -143.50 -106.92 131.71 32.84 67.14 0.03 31.22 0.91 0.06 0.01 0.02 0.00 67.48 0.30 42 T E E 44.65 10.81 18.43 30.29 124.53 -168.30 -120.54 139.92 2.84 97.15 0.01 2.58 0.15 0.02 0.00 0.01 0.00 97.16 0.08 43 T E E 50.53 12.68 19.23 32.29 119.88 -138.55 -102.94 132.58 0.80 99.20 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.21 0.03 44 V E E 29.07 15.46 18.21 34.30 121.05 -168.89 -115.85 131.24 2.28 97.71 0.01 1.97 0.14 0.01 0.00 0.01 0.00 97.82 0.05 45 F E E 63.11 12.37 18.77 31.80 119.67 -156.77 -110.47 130.87 10.31 89.55 0.14 8.52 1.16 0.26 0.03 0.07 0.00 89.53 0.42 46 S C E 39.40 12.13 16.07 28.76 121.07 -177.05 -115.55 151.21 50.82 47.11 2.07 23.93 16.01 11.89 0.24 1.77 0.00 45.34 0.81 47 H C T 120.73 5.81 18.50 24.61 100.05 -70.51 -78.30 15.86 82.45 14.47 3.07 25.71 28.16 29.08 0.34 2.81 0.00 12.64 1.25 48 A C S 42.29 11.39 14.17 26.12 118.83 78.75 -100.70 147.64 91.87 5.09 3.03 24.68 34.93 32.41 0.27 3.01 0.00 3.95 0.75 49 Q C S 100.83 7.88 17.87 26.30 104.96 -121.21 -87.65 46.63 75.91 22.78 1.31 21.30 31.38 23.44 0.11 1.26 0.00 21.68 0.83 50 T E E 43.76 12.54 17.88 30.99 125.24 110.45 -117.36 141.95 23.94 75.78 0.28 17.43 5.42 1.22 0.04 0.25 0.00 75.19 0.44 51 V E E 39.54 13.79 20.31 34.74 119.25 -147.63 -106.65 130.42 4.64 95.32 0.03 4.19 0.24 0.03 0.01 0.02 0.00 95.39 0.13 52 V E E 13.32 19.43 19.31 39.13 120.48 -163.12 -112.52 128.91 1.45 98.54 0.01 1.30 0.07 0.01 0.00 0.00 0.00 98.57 0.05 53 L E E 52.95 10.57 23.46 34.66 118.13 -152.24 -105.89 130.13 2.46 97.51 0.02 2.25 0.15 0.02 0.01 0.01 0.00 97.32 0.23 54 C E E 12.13 19.49 13.46 33.44 113.97 -126.49 -76.76 135.44 32.23 67.67 0.10 30.46 1.10 0.20 0.02 0.07 0.00 67.04 1.11 55 V C T 80.79 8.40 17.90 26.87 107.13 -115.77 -66.08 128.29 94.58 4.62 0.81 2.23 16.24 76.34 0.04 0.79 0.00 4.00 0.36 56 G C T 57.06 2.24 18.16 20.36 98.44 20.36 84.17 -2.09 97.73 1.62 0.66 1.51 19.61 76.77 0.02 0.67 0.00 1.24 0.20 57 C C S 42.90 12.78 11.11 24.14 131.74 66.47 -127.60 158.68 91.09 7.77 1.14 25.41 45.63 20.11 0.10 1.34 0.00 5.65 1.76 58 S C S 87.42 2.65 18.01 21.27 95.11 -136.65 -84.02 -2.02 93.52 6.02 0.47 19.19 61.66 12.55 0.05 0.50 0.00 5.47 0.58 59 T C E 59.74 8.30 18.10 27.48 118.36 99.18 -91.05 139.25 65.38 34.34 0.29 32.34 29.30 3.74 0.03 0.30 0.00 33.13 1.16 60 V E E 45.25 15.22 17.61 33.13 111.39 -128.94 -85.31 125.47 7.07 92.90 0.03 6.70 0.39 0.06 0.01 0.03 0.00 91.80 1.01 61 L E E 25.38 16.78 20.82 37.81 99.28 -162.75 -90.70 -25.67 6.10 93.88 0.02 4.09 1.66 0.14 0.00 0.02 0.00 94.02 0.07 62 C E E 10.29 20.40 17.24 37.87 138.50 11.99 -147.19 152.06 0.88 99.11 0.01 0.78 0.07 0.01 0.00 0.01 0.00 99.10 0.03 63 Q E E 82.41 7.40 23.23 31.27 126.37 -157.66 -126.61 138.55 0.76 99.24 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.01 64 P E E 52.92 14.93 12.27 27.08 113.49 -111.88 -69.64 139.13 3.56 96.44 0.01 3.22 0.12 0.01 0.00 0.00 0.00 96.55 0.09 65 T E E 75.78 5.10 13.26 20.32 121.86 171.20 -134.98 123.74 14.20 85.57 0.24 10.52 3.28 0.94 0.05 0.22 0.00 83.06 1.92 66 G C T 68.18 0.50 13.97 12.54 94.13 -15.28 58.01 32.10 99.19 0.34 0.47 0.51 10.40 88.25 0.01 0.56 0.00 0.23 0.04 67 G C T 53.66 4.29 12.72 18.25 95.19 -48.37 81.85 2.08 99.39 0.14 0.46 0.66 11.15 87.53 0.01 0.53 0.00 0.10 0.02 68 K E E 116.67 3.23 17.42 21.90 127.89 94.29 -119.70 146.71 11.06 88.85 0.09 7.56 3.64 0.38 0.02 0.06 0.00 87.10 1.23 69 A E E 23.65 19.52 11.34 30.30 115.87 -121.23 -79.37 135.81 5.96 94.03 0.02 5.45 0.23 0.02 0.00 0.01 0.00 94.16 0.13 70 R E E 111.99 5.27 22.48 28.45 127.72 -172.38 -126.09 145.02 4.70 95.28 0.02 4.30 0.24 0.03 0.01 0.01 0.00 95.24 0.18 71 L E E 61.90 16.25 12.89 28.68 113.14 -112.94 -75.70 134.66 13.75 86.15 0.10 13.17 0.54 0.08 0.05 0.05 0.00 83.71 2.41 72 T C C 55.93 9.14 14.22 24.64 118.43 -141.14 -90.05 152.13 80.98 17.66 1.36 72.37 5.44 2.28 0.23 1.24 0.00 17.19 1.25 73 E C T 157.03 1.50 15.01 16.82 109.69 -81.92 -64.67 135.59 85.41 11.55 3.04 7.81 16.22 61.81 0.34 2.86 0.00 9.79 1.17 74 G C T 59.32 1.59 15.77 17.22 96.59 20.51 84.03 -1.42 90.20 7.13 2.66 12.96 16.82 60.42 0.28 2.62 0.00 6.27 0.64 75 C C C 35.49 16.98 8.76 24.74 115.66 132.15 -85.16 136.55 86.67 11.16 2.17 72.83 10.49 2.97 0.46 1.98 0.00 9.01 2.27 76 S C C 64.06 5.73 16.90 23.67 122.13 -163.58 -115.77 143.82 74.40 23.39 2.21 58.42 11.58 3.62 0.72 1.70 0.00 18.80 5.17 77 F C C 95.80 12.68 11.79 24.64 123.91 -166.53 -117.61 140.16 66.77 30.57 2.65 51.28 11.14 3.91 0.87 2.00 0.00 27.15 3.65 78 R C C 139.92 4.75 13.70 20.27 121.92 -162.98 -112.09 140.00 61.73 36.02 2.25 53.70 5.00 1.97 0.95 1.43 0.00 31.46 5.49 79 R C C 146.64 5.61 10.48 18.03 116.28 -130.95 -89.26 137.24 65.03 31.15 3.83 53.57 6.34 3.50 1.61 2.42 0.01 24.90 7.64 80 K C C 132.05 4.67 8.57 15.08 113.92 -126.72 -84.54 134.50 85.55 10.43 4.02 64.58 13.37 7.31 1.08 3.10 0.00 8.49 2.07 81 Q C C 142.64 1.76 8.41 11.78 110.98 -137.41 -87.92 121.11 93.36 4.37 2.27 85.97 2.23 5.51 0.62 1.30 0.00 3.26 1.11 82 H C C 145.05 2.61 9.52 13.80 107.57 -144.61 -91.47 90.63 99.93 0.06 0.02 99.78 0.10 0.07 0.01 0.00 0.00 0.03 0.01