# 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 128.86 3.56 10.39 15.70 115.36 -149.45 -93.07 130.00 99.71 0.25 0.04 99.63 0.12 0.06 0.02 0.00 0.00 0.13 0.03 1 A C C 76.81 3.87 8.18 14.05 115.88 -149.42 -93.16 139.88 86.87 9.51 3.63 82.60 1.45 3.43 1.61 1.29 0.00 7.14 2.47 2 K C C 153.58 2.11 9.00 12.92 115.30 -137.06 -91.43 134.79 78.71 16.20 5.09 55.85 15.24 7.46 1.77 3.34 0.00 13.44 2.88 3 R C C 159.41 3.31 8.78 14.23 118.32 -154.15 -103.61 136.22 74.25 21.00 4.75 56.13 12.62 4.98 1.86 3.05 0.01 17.64 3.71 4 T C C 82.51 6.13 8.91 16.84 119.21 -146.83 -99.62 139.76 72.99 23.73 3.28 61.42 7.88 2.71 1.59 1.76 0.00 21.09 3.56 5 V C C 105.06 3.36 11.71 16.87 117.73 -146.22 -102.19 135.29 68.12 28.19 3.69 51.88 12.51 3.29 1.99 1.82 0.01 25.38 3.10 6 K C C 133.00 4.93 10.50 17.45 114.89 -127.57 -88.20 129.77 63.02 33.18 3.80 51.54 7.52 2.98 2.15 1.83 0.01 29.44 4.53 7 M C C 113.97 4.87 10.65 17.37 116.91 -172.44 -109.88 131.25 65.28 30.00 4.72 49.93 9.94 4.14 3.10 2.08 0.02 24.65 6.13 8 G C C 40.18 4.13 13.26 18.68 123.96 -2.64 101.16 -169.68 72.83 15.60 11.57 35.83 22.68 15.62 5.54 5.41 0.17 11.78 2.96 9 V C T 102.46 4.14 12.74 18.02 98.71 -40.58 -73.87 -16.08 71.56 9.92 18.52 20.02 22.28 31.01 8.33 8.78 0.25 6.59 2.76 10 M C T 101.01 6.49 11.35 19.05 102.67 60.26 -85.22 -4.03 66.25 13.22 20.53 17.32 18.68 31.64 8.59 10.65 0.46 8.62 4.03 11 G C C 37.05 7.10 12.05 20.33 106.57 62.96 -55.47 -53.21 63.56 11.94 24.50 29.89 15.82 19.74 7.05 16.13 0.09 8.20 3.08 12 R C T 166.76 2.65 13.51 17.00 97.36 42.03 -78.72 -21.17 65.27 11.67 23.05 16.09 17.61 33.26 6.00 15.54 0.20 8.33 2.97 13 Y C T 152.03 3.59 12.51 17.26 102.14 46.92 -97.79 6.50 66.81 14.80 18.40 17.20 18.27 33.19 5.45 11.55 0.27 10.19 3.88 14 G C C 34.35 6.93 11.82 20.07 124.50 -91.89 121.38 176.38 77.45 17.88 4.67 39.71 28.51 10.32 1.67 3.01 0.03 12.04 4.71 15 T C C 83.61 5.54 11.34 18.48 117.15 -88.54 -97.24 139.77 73.67 20.62 5.72 50.59 14.95 7.64 2.42 3.58 0.02 13.84 6.96 16 R C C 147.99 4.19 10.50 16.49 113.50 -152.16 -98.48 128.14 69.98 21.14 8.88 39.06 17.90 14.08 3.39 5.42 0.10 12.77 7.28 17 Y C T 176.38 2.46 10.55 14.39 103.96 -41.41 -67.39 97.02 81.46 9.30 9.24 14.73 15.42 51.52 3.47 5.45 0.07 6.51 2.83 18 G C T 60.48 1.46 12.36 14.00 100.16 -26.57 83.63 -0.48 87.72 4.56 7.72 19.27 19.29 49.85 2.60 4.59 0.02 3.09 1.29 19 A C C 48.03 8.02 7.98 17.42 115.63 124.71 -88.41 144.36 82.03 8.31 9.66 53.38 21.95 6.38 6.13 3.69 0.02 4.07 4.38 20 N C C 89.18 2.99 13.58 17.33 115.58 -123.12 -81.13 154.75 70.98 5.43 23.60 47.48 18.51 4.97 20.82 3.32 0.02 2.76 2.11 21 P H H 83.70 6.03 10.81 18.45 94.33 -113.32 -63.77 -33.33 27.69 3.72 68.59 11.50 5.35 11.94 52.38 14.94 0.21 2.88 0.80 22 R H H 146.48 3.49 11.99 16.92 93.85 58.18 -67.42 -31.42 22.13 3.80 74.07 8.37 3.86 10.15 56.27 17.34 0.18 3.21 0.62 23 K H H 121.65 3.47 13.05 17.72 94.61 55.45 -70.89 -32.68 22.06 4.94 73.00 9.92 4.39 8.58 55.48 16.60 0.16 4.08 0.80 24 R H H 133.35 4.74 12.82 18.88 97.60 54.13 -76.19 -23.56 28.99 9.23 61.78 14.85 6.28 9.93 49.78 9.75 0.20 7.62 1.59 25 A H H 54.06 8.20 10.08 19.55 103.96 69.20 -77.25 4.87 34.72 14.77 50.52 22.39 6.37 7.50 42.46 6.45 0.13 12.58 2.10 26 K C H 136.73 3.31 13.06 17.69 99.47 67.40 -75.61 -25.22 42.49 15.39 42.12 22.23 7.87 12.03 34.79 7.07 0.17 14.40 1.44 27 K C H 142.11 2.93 13.56 17.63 104.36 43.89 -84.23 21.70 41.64 21.56 36.80 20.65 8.23 12.84 29.02 7.83 0.27 19.46 1.70 28 L C E 84.25 9.65 10.56 21.04 111.84 61.15 -88.43 125.61 39.57 30.88 29.55 27.57 6.41 4.95 24.70 5.57 0.08 28.75 1.97 29 E E E 116.02 5.15 14.44 20.97 113.07 -150.21 -89.99 124.45 32.46 42.94 24.59 24.45 3.62 3.40 21.88 4.05 0.04 39.78 2.77 30 V E E 76.39 10.01 12.57 23.18 108.37 -163.76 -97.32 57.76 34.38 39.18 26.44 24.12 5.04 5.01 22.22 5.11 0.10 35.59 2.82 31 S C C 53.18 8.11 13.71 23.06 117.59 19.57 -105.96 137.53 47.34 29.31 23.34 32.11 7.26 7.45 17.87 5.85 0.09 26.93 2.43 32 Q C C 108.06 6.95 13.64 21.77 107.95 -157.27 -96.06 56.21 60.53 20.01 19.45 25.05 18.73 18.19 11.88 6.85 0.27 16.70 2.33 33 H C C 122.98 5.62 13.95 20.78 106.07 68.88 -91.44 59.66 63.99 20.66 15.35 30.39 17.27 17.93 8.38 6.30 0.12 17.11 2.50 34 A C C 43.75 9.14 13.36 23.86 121.74 129.83 -102.88 147.40 75.44 19.45 5.12 59.84 10.95 4.05 2.93 2.24 0.00 18.14 1.83 35 K C C 128.11 5.40 16.74 23.68 116.23 -119.94 -88.51 131.85 64.68 33.56 1.76 55.46 6.24 1.79 0.85 0.92 0.00 32.55 2.20 36 H E E 48.03 15.03 13.22 28.64 131.34 -171.92 -131.69 149.25 25.88 73.23 0.89 21.00 4.68 1.03 0.47 0.49 0.00 69.95 2.37 37 F E E 116.19 5.20 19.79 25.90 118.62 -134.19 -106.39 133.04 8.32 91.51 0.18 7.32 0.59 0.06 0.19 0.05 0.00 62.35 29.43 38 C C C 12.55 19.34 9.53 29.13 109.70 -119.43 -74.48 124.60 90.05 9.91 0.05 90.23 0.62 0.09 0.01 0.02 0.00 8.03 1.00 39 S C T 76.92 3.11 17.33 21.39 92.73 -148.67 -70.51 -23.08 99.58 0.18 0.24 0.79 7.19 91.63 0.01 0.21 0.00 0.12 0.04 40 F C T 113.79 6.35 14.98 22.44 100.21 45.41 -83.61 -40.76 99.64 0.11 0.25 0.14 3.77 95.82 0.00 0.19 0.00 0.05 0.03 41 C C T 60.90 6.45 13.45 21.52 102.69 19.12 -108.59 -14.46 99.66 0.11 0.22 0.37 4.17 95.18 0.01 0.19 0.00 0.06 0.02 42 G C C 47.90 3.65 14.65 19.67 95.82 -121.75 79.09 6.66 99.03 0.80 0.17 78.57 14.02 6.40 0.04 0.14 0.00 0.48 0.35 43 K C C 94.93 5.98 14.90 22.60 119.85 135.45 -81.41 146.73 90.44 9.48 0.08 79.96 10.61 0.31 0.02 0.06 0.00 7.27 1.76 44 F E E 108.26 9.12 17.22 27.12 114.63 -118.58 -88.35 130.90 7.60 92.33 0.07 6.57 0.67 0.06 0.05 0.03 0.00 68.76 23.86 45 A E E 19.55 13.83 18.13 32.92 134.49 166.45 -137.57 161.21 27.02 72.94 0.04 24.97 1.48 0.10 0.01 0.03 0.00 73.01 0.40 46 F E E 35.01 18.75 17.15 35.83 125.15 -125.01 -119.96 139.13 12.49 87.45 0.06 11.58 0.77 0.10 0.02 0.04 0.00 85.97 1.53 47 R E E 102.77 8.69 22.19 31.39 123.26 -163.65 -121.10 135.35 6.91 93.07 0.03 6.38 0.45 0.04 0.01 0.01 0.00 92.71 0.39 48 R E E 84.89 15.34 13.84 29.04 110.19 -120.33 -78.71 123.18 9.24 90.72 0.05 8.62 0.47 0.07 0.01 0.03 0.00 89.88 0.92 49 K E E 117.27 4.94 18.71 24.78 100.76 176.09 -100.92 -22.26 35.22 64.64 0.14 25.07 9.07 0.69 0.02 0.11 0.00 64.57 0.47 50 A E E 43.38 5.14 20.03 25.90 140.63 -6.13 -156.59 164.28 36.44 63.13 0.43 8.32 22.80 7.31 0.05 0.43 0.00 59.38 1.71 51 V C T 80.16 8.96 18.70 28.14 109.43 -64.65 -62.80 132.63 98.49 1.15 0.36 2.24 19.26 77.09 0.02 0.38 0.00 0.85 0.16 52 G C T 13.40 15.61 18.60 34.27 97.02 15.07 87.68 -3.74 98.42 1.39 0.20 2.39 18.59 77.37 0.01 0.24 0.00 1.33 0.08 53 I E E 33.44 12.23 20.65 34.48 121.54 107.10 -111.37 131.38 7.79 92.20 0.00 6.87 0.49 0.02 0.00 0.00 0.00 92.39 0.23 54 W E E 22.35 19.33 18.03 37.79 128.82 -172.67 -124.01 145.78 0.38 99.62 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.02 55 R E E 89.73 9.06 23.91 33.41 123.61 -154.60 -119.02 134.19 0.30 99.70 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.62 0.06 56 C E E 8.70 19.73 12.14 32.90 109.84 -122.36 -79.31 124.20 15.59 84.40 0.01 15.26 0.37 0.02 0.00 0.01 0.00 83.75 0.58 57 D C T 88.51 5.09 19.21 25.27 95.31 -153.35 -70.63 -27.95 98.28 0.42 1.30 0.70 5.03 92.57 0.03 1.31 0.00 0.29 0.07 58 G C T 45.23 4.45 16.75 22.18 97.02 45.03 -74.78 -37.66 98.32 0.12 1.56 0.17 3.01 95.28 0.02 1.43 0.00 0.06 0.03 59 C C T 55.70 7.82 13.63 22.93 102.79 19.68 -108.13 -8.66 98.81 0.13 1.07 0.47 3.83 94.46 0.02 1.11 0.00 0.07 0.03 60 S C C 83.55 3.61 15.44 20.58 94.13 -126.31 66.39 20.09 98.65 1.05 0.31 64.86 7.98 25.81 0.07 0.24 0.00 0.83 0.20 61 K C C 97.48 5.93 15.16 22.93 120.11 138.60 -82.66 147.92 77.07 22.90 0.03 74.76 1.84 0.09 0.01 0.02 0.00 22.66 0.62 62 T E E 80.82 7.98 16.67 26.11 119.90 -128.57 -101.19 137.15 0.99 99.01 0.00 1.01 0.03 0.00 0.00 0.00 0.00 97.96 1.00 63 V E E 38.25 16.02 14.01 30.20 125.66 -170.18 -122.90 139.22 1.63 98.36 0.00 1.61 0.06 0.01 0.00 0.00 0.00 98.15 0.18 64 A E E 66.21 6.71 19.33 26.75 118.97 -134.46 -94.76 143.64 30.70 69.15 0.16 24.28 4.86 0.81 0.02 0.14 0.00 69.50 0.40 65 G C C 31.89 8.02 18.90 27.87 131.40 47.52 128.43 -174.90 64.47 34.67 0.85 35.74 23.87 5.77 0.11 0.87 0.00 32.38 1.26 66 G C C 30.49 10.69 19.10 29.65 127.16 -73.05 106.13 -172.41 75.25 21.81 2.94 47.07 20.18 8.65 0.48 2.84 0.01 18.05 2.72 67 A C S 45.62 15.18 16.31 30.62 99.00 -73.09 -79.49 -14.14 78.14 15.60 6.26 27.65 32.41 19.32 0.92 5.28 0.02 11.59 2.81 68 Y C C 111.64 10.41 18.66 29.04 107.09 55.20 -100.83 22.32 69.83 23.00 7.17 27.90 27.29 16.43 1.67 5.20 0.09 15.35 6.07 69 T C C 64.38 8.76 20.10 29.24 117.15 57.46 -107.78 126.79 75.92 18.61 5.47 53.69 13.95 7.66 1.66 4.09 0.01 13.40 5.53 70 L C C 60.42 15.85 13.86 29.07 107.77 -147.20 -86.31 102.54 86.79 9.36 3.85 47.91 17.86 21.76 1.13 2.58 0.01 5.95 2.80 71 S C C 71.08 6.14 16.84 23.87 104.03 134.61 -98.34 26.52 93.39 3.57 3.05 45.69 27.74 20.36 0.83 2.13 0.00 1.83 1.42 72 T C S 48.97 8.14 12.76 22.69 124.60 123.06 -107.99 153.38 94.99 1.60 3.41 39.08 54.03 1.67 3.15 0.48 0.00 0.40 1.18 73 P H H 105.00 1.87 16.08 18.11 91.54 -112.51 -58.77 -36.52 27.32 0.26 72.42 4.15 4.76 18.92 67.06 4.73 0.11 0.13 0.15 74 N H H 88.83 5.11 16.46 22.45 92.08 53.74 -66.49 -36.62 25.36 0.29 74.36 4.54 3.04 18.07 69.10 4.87 0.08 0.15 0.15 75 N H H 29.36 15.54 12.81 28.63 92.70 52.60 -67.78 -37.51 10.99 0.29 88.72 5.48 1.82 4.49 83.62 4.31 0.02 0.17 0.10 76 S H H 53.21 5.63 18.00 24.50 92.18 55.84 -64.16 -40.54 4.01 0.11 95.89 2.18 0.60 1.45 94.74 0.95 0.00 0.06 0.02 77 T H H 78.02 2.51 21.01 22.47 92.34 50.25 -65.72 -41.39 2.60 0.13 97.28 1.22 0.35 1.12 96.59 0.62 0.00 0.07 0.02 78 V H H 40.10 11.77 17.77 30.29 92.19 49.51 -65.04 -42.46 1.60 0.07 98.33 0.66 0.20 0.72 98.00 0.37 0.00 0.03 0.01 79 R H H 88.46 11.86 18.13 30.02 91.92 51.36 -63.62 -41.43 0.85 0.02 99.13 0.36 0.08 0.33 99.09 0.12 0.00 0.01 0.00 80 S H H 54.98 3.06 20.78 23.35 91.48 50.52 -63.81 -41.76 0.86 0.01 99.13 0.30 0.07 0.38 99.15 0.08 0.00 0.00 0.00 81 T H H 57.68 5.16 19.54 25.26 91.83 50.19 -64.80 -41.89 0.49 0.00 99.51 0.12 0.04 0.24 99.55 0.05 0.00 0.00 0.00 82 V H H 33.05 12.64 16.23 29.89 91.98 50.21 -64.56 -42.08 0.23 0.00 99.77 0.05 0.02 0.12 99.79 0.03 0.00 0.00 0.00 83 R H H 115.14 4.70 18.95 24.24 91.62 50.74 -63.85 -41.37 0.20 0.00 99.79 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 84 R H H 131.60 2.21 18.86 20.47 91.71 50.30 -64.56 -41.30 0.30 0.00 99.70 0.04 0.02 0.19 99.72 0.04 0.00 0.00 0.00 85 L H H 64.90 6.65 15.91 23.80 91.88 50.00 -65.01 -41.01 0.36 0.00 99.64 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 86 R H H 106.40 6.16 14.86 22.15 92.09 51.26 -64.76 -40.67 0.74 0.00 99.26 0.11 0.05 0.46 99.24 0.13 0.00 0.00 0.00 87 E H H 109.35 2.05 14.79 16.91 91.96 50.43 -65.07 -39.63 2.05 0.01 97.94 0.26 0.13 1.43 97.85 0.32 0.00 0.00 0.00 88 L H H 101.30 2.40 12.78 15.95 92.46 50.45 -67.79 -34.56 5.96 0.02 94.01 0.71 0.45 4.38 93.78 0.65 0.01 0.01 0.01 89 A H H 65.00 4.60 10.06 16.13 93.67 55.34 -71.75 -22.51 26.51 0.21 73.28 3.79 2.59 19.72 72.50 1.16 0.03 0.08 0.13 90 K C H 151.55 1.72 10.94 13.56 97.45 58.39 -79.37 -9.38 62.25 0.58 37.17 22.40 2.01 35.07 38.50 1.47 0.00 0.22 0.32 91 I C C 111.22 3.58 10.43 15.71 106.80 100.90 -81.23 88.64 99.77 0.13 0.09 99.56 0.16 0.12 0.06 0.01 0.00 0.07 0.03