# 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 116.81 4.64 11.65 17.80 114.64 -153.06 -89.66 134.22 99.87 0.06 0.07 99.76 0.09 0.07 0.04 0.00 0.00 0.02 0.01 1 A C C 71.98 4.30 8.84 14.85 111.18 -124.83 -82.81 141.49 83.44 1.24 15.32 76.68 1.52 5.64 12.80 2.12 0.00 0.58 0.65 2 D C C 102.35 2.91 9.00 13.55 109.48 -130.58 -87.93 114.99 78.32 1.24 20.43 58.61 10.38 8.58 16.97 4.25 0.00 0.59 0.62 3 K C C 142.01 3.01 9.07 13.66 104.22 -142.56 -84.21 17.25 59.32 1.49 39.18 38.33 11.17 10.20 30.86 8.03 0.01 0.74 0.65 4 E C H 128.83 2.89 9.91 14.31 105.44 83.17 -83.50 33.96 54.04 1.56 44.40 34.59 10.34 9.95 35.26 8.41 0.02 0.81 0.62 5 K C C 127.81 3.85 9.88 15.37 108.62 67.47 -85.05 114.21 54.48 1.51 44.00 36.87 9.67 8.64 36.27 7.15 0.01 0.79 0.59 6 K C C 127.29 4.13 10.63 16.48 110.04 -136.40 -83.46 125.88 60.66 1.79 37.55 43.43 8.57 8.39 33.13 4.84 0.01 0.94 0.69 7 K C C 124.69 4.91 10.99 17.54 111.20 -119.46 -86.69 126.91 66.83 2.12 31.05 47.76 9.38 8.70 28.43 3.81 0.00 1.11 0.81 8 K C C 125.55 4.94 12.02 18.55 109.92 -123.71 -87.08 118.28 67.76 2.61 29.63 49.26 9.84 7.41 27.72 3.40 0.00 1.36 1.01 9 E C C 108.19 6.19 12.62 20.22 111.54 -135.61 -87.94 127.23 65.60 2.26 32.14 47.39 9.98 7.14 29.32 4.14 0.01 1.23 0.79 10 S C C 57.00 7.46 13.27 22.00 106.44 -128.43 -83.98 42.45 56.46 2.82 40.72 39.86 8.45 8.24 32.18 8.66 0.01 1.67 0.93 11 I H H 83.80 10.19 14.39 24.98 100.87 58.00 -81.00 -15.99 36.46 3.09 60.45 18.57 7.66 10.91 39.72 20.25 0.08 1.93 0.88 12 L H H 68.86 11.24 14.35 26.14 106.45 75.29 -85.58 87.90 38.77 3.26 57.97 16.95 7.95 14.07 36.07 21.78 0.13 2.10 0.95 13 D C C 68.32 6.68 19.12 26.52 105.55 82.48 -89.06 90.97 50.08 1.92 48.00 31.86 5.83 12.58 28.51 19.33 0.01 1.15 0.73 14 L H H 21.45 22.31 12.15 33.57 94.82 149.57 -70.22 -24.57 25.96 0.74 73.31 16.05 3.50 6.48 43.25 30.04 0.01 0.44 0.23 15 S H G 61.33 8.57 16.86 26.49 91.04 72.39 -62.65 -27.66 10.71 0.17 89.12 1.95 1.08 6.46 41.11 49.23 0.01 0.13 0.03 16 K H G 133.24 3.00 20.39 23.61 91.55 62.11 -72.29 -20.12 14.62 0.11 85.27 1.20 1.15 10.64 37.45 49.44 0.01 0.07 0.03 17 Y H G 35.01 18.22 13.99 32.34 98.34 46.02 -101.94 -3.16 29.43 0.56 70.02 3.57 2.88 20.98 29.54 42.38 0.04 0.29 0.33 18 I C T 48.11 16.45 13.79 30.21 112.38 114.89 -68.55 132.01 94.28 2.33 3.38 2.46 3.22 89.30 1.57 1.08 0.00 1.16 1.20 19 D C T 107.77 3.46 20.78 24.73 93.40 13.69 69.78 12.46 98.17 0.94 0.88 1.05 4.80 92.63 0.19 0.45 0.00 0.79 0.09 20 K C S 87.92 8.34 17.98 27.50 126.60 109.74 -103.13 152.10 96.40 3.50 0.10 40.94 54.94 0.69 0.02 0.07 0.00 3.14 0.21 21 T E E 69.56 8.33 20.95 29.78 114.20 -107.90 -77.73 136.30 18.20 81.76 0.03 18.54 0.31 0.03 0.01 0.01 0.00 79.82 1.27 22 I E E 7.80 23.44 14.76 38.58 130.65 -174.38 -128.67 148.28 1.99 98.00 0.01 1.98 0.04 0.00 0.00 0.00 0.00 97.93 0.04 23 R E E 83.95 9.01 25.41 35.02 116.22 -137.03 -102.70 126.49 0.26 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 24 V E E 4.51 24.88 16.83 42.51 120.39 -167.09 -113.87 129.02 0.23 99.77 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 25 K E E 86.06 7.72 24.36 32.59 114.82 -152.63 -101.86 122.72 0.99 99.00 0.01 0.93 0.03 0.00 0.00 0.00 0.00 98.99 0.04 26 F E E 21.43 20.02 12.04 31.81 125.26 -161.84 -98.68 161.47 32.00 67.86 0.14 31.20 0.76 0.12 0.04 0.07 0.00 66.96 0.85 27 Q C T 110.10 6.59 16.08 23.65 107.57 -94.47 -64.74 134.99 88.41 5.56 6.03 1.42 4.44 83.89 0.23 5.48 0.00 4.12 0.41 28 G C T 55.30 2.79 16.11 19.42 95.47 23.14 69.08 1.79 93.34 0.48 6.18 0.58 3.65 88.72 0.14 6.49 0.00 0.30 0.11 29 G C S 44.45 4.81 15.75 21.61 99.15 -90.17 91.04 2.24 92.99 1.44 5.57 10.27 64.73 17.76 0.23 5.74 0.00 0.93 0.32 30 R C C 82.32 10.71 14.91 26.89 119.05 133.28 -79.51 145.21 77.93 22.01 0.06 75.83 1.30 0.19 0.01 0.04 0.00 22.11 0.51 31 E E E 75.94 12.45 20.10 32.74 127.82 -161.39 -125.12 143.68 1.35 98.64 0.00 1.16 0.07 0.01 0.00 0.00 0.00 98.72 0.04 32 A E E 5.96 22.29 18.67 41.26 129.39 -170.35 -127.23 144.70 0.16 99.84 0.00 0.13 0.01 0.00 0.00 0.00 0.00 99.86 0.00 33 S E E 37.01 12.18 25.63 37.84 130.65 -168.11 -129.38 146.65 0.34 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 34 G E E 6.86 15.51 23.06 39.36 144.80 110.12 174.18 -176.01 1.10 98.90 0.00 0.85 0.08 0.00 0.00 0.00 0.00 99.06 0.00 35 I E E 51.89 10.33 26.45 37.95 120.57 -61.95 -109.03 136.97 0.94 99.06 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.12 0.02 36 L E E 5.48 25.51 15.15 41.81 110.28 -117.49 -74.60 127.43 2.07 97.92 0.01 1.93 0.07 0.01 0.00 0.00 0.00 97.91 0.08 37 K E E 94.87 7.41 24.48 32.45 100.72 175.81 -101.18 -18.82 4.96 95.01 0.03 3.70 0.86 0.14 0.00 0.03 0.00 95.19 0.07 38 G E E 16.11 8.88 24.43 34.69 145.10 -40.30 163.50 174.25 6.12 93.84 0.04 4.06 1.52 0.26 0.00 0.04 0.00 94.04 0.06 39 F E E 57.90 20.21 14.19 33.33 135.13 -124.95 -142.88 151.59 3.68 96.31 0.01 3.26 0.31 0.02 0.01 0.01 0.00 92.65 3.74 40 D C C 48.61 9.32 17.11 27.46 126.17 -133.01 -93.83 170.15 92.66 7.30 0.04 92.73 0.47 0.13 0.01 0.02 0.00 6.27 0.37 41 P C T 109.82 3.19 16.57 21.08 90.40 -95.68 -63.74 -21.11 99.48 0.04 0.48 0.11 2.41 97.00 0.01 0.45 0.00 0.02 0.01 42 L C T 91.95 5.81 17.07 23.98 92.93 53.85 -88.88 -1.42 99.56 0.03 0.41 0.17 2.87 96.52 0.01 0.41 0.00 0.01 0.01 43 L C S 38.25 16.68 16.14 32.79 94.51 -111.50 69.85 26.57 97.58 1.46 0.97 37.94 49.04 10.32 0.08 1.19 0.00 0.81 0.61 44 N C C 36.19 11.26 22.45 34.80 116.05 152.38 -81.81 136.69 94.01 5.94 0.05 87.61 4.95 1.10 0.01 0.05 0.00 5.62 0.65 45 L E E 6.25 24.67 18.71 43.81 118.54 -142.27 -99.62 131.97 1.47 98.53 0.00 1.45 0.03 0.00 0.00 0.00 0.00 98.38 0.13 46 V E E 27.97 12.27 27.13 40.29 120.76 -165.84 -117.02 130.89 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 47 L E E 5.03 25.27 17.91 43.85 116.91 -154.46 -104.24 128.00 0.25 99.75 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.01 48 D E E 57.43 9.07 24.31 33.45 126.43 -172.03 -115.57 148.35 5.15 94.84 0.00 3.07 1.35 0.14 0.00 0.00 0.00 95.42 0.02 49 G E E 32.36 6.08 23.88 30.92 96.68 13.49 71.55 26.28 8.13 91.87 0.00 4.66 2.23 0.23 0.00 0.01 0.00 92.86 0.02 50 T E E 14.57 21.90 14.68 36.36 118.03 166.76 -80.52 141.20 3.25 96.75 0.00 3.18 0.05 0.00 0.00 0.00 0.00 96.74 0.02 51 I E E 44.58 11.07 23.36 35.31 123.17 -160.69 -119.59 134.81 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 52 E E E 49.14 15.38 19.82 35.20 119.44 -154.22 -105.54 132.06 0.28 99.72 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 53 Y E E 51.23 13.34 18.93 33.14 126.75 -167.65 -123.69 143.69 1.39 98.60 0.00 1.18 0.06 0.00 0.00 0.00 0.00 98.74 0.02 54 M E E 54.41 11.88 18.36 31.36 122.44 -160.71 -116.83 135.18 4.95 95.04 0.02 4.36 0.33 0.03 0.00 0.01 0.00 95.12 0.14 55 R E E 93.46 10.41 14.67 26.18 118.50 -136.06 -91.86 137.81 22.79 77.15 0.07 19.32 3.09 0.26 0.01 0.05 0.00 75.77 1.50 56 D C C 45.81 8.32 11.44 22.10 108.43 -121.83 -81.28 120.68 82.53 17.39 0.08 78.26 3.29 0.29 0.02 0.07 0.00 17.16 0.92 57 P C T 100.75 3.46 11.11 16.52 92.31 -147.85 -64.51 -23.85 96.09 0.88 3.03 5.55 19.90 69.94 0.15 3.59 0.00 0.66 0.22 58 D C T 127.92 0.51 12.50 11.34 96.85 47.67 -85.60 -19.93 95.78 0.83 3.40 3.41 22.92 68.91 0.16 3.79 0.00 0.53 0.28 59 D C C 70.20 4.86 9.85 16.65 112.70 29.15 -127.92 91.54 80.75 15.34 3.91 40.74 31.05 9.48 0.45 4.20 0.00 11.18 2.91 60 Q C T 111.76 6.33 10.12 18.30 94.13 -170.70 -66.92 -17.70 87.13 9.56 3.31 10.30 16.18 60.32 0.27 3.48 0.00 8.60 0.85 61 Y C T 153.49 3.96 13.31 18.37 95.62 56.25 -88.23 -3.06 82.24 14.88 2.87 12.69 16.62 52.70 0.21 3.01 0.00 13.99 0.78 62 K C C 115.21 3.82 15.26 20.40 118.11 81.13 -106.51 129.83 60.37 38.12 1.52 41.67 16.16 2.87 0.35 1.42 0.01 34.07 3.46 63 L E E 67.60 13.00 10.41 23.65 116.97 -139.90 -85.53 140.82 31.32 68.27 0.41 27.13 2.10 0.39 0.25 0.23 0.00 56.36 13.53 64 T E E 51.35 8.81 12.41 22.79 118.69 -146.47 -99.21 160.35 45.31 54.10 0.58 40.02 3.86 0.77 0.18 0.43 0.00 52.89 1.86 65 E E E 152.96 1.98 15.11 17.80 96.28 -119.92 -77.74 -20.67 49.06 50.26 0.68 19.34 24.73 4.75 0.05 0.69 0.00 49.88 0.56 66 D E E 90.72 3.75 15.93 20.74 111.85 74.45 -93.61 116.72 43.31 56.11 0.58 29.66 8.16 3.44 0.04 0.61 0.00 57.74 0.34 67 T E E 51.80 16.73 9.74 25.36 125.82 -172.01 -115.70 142.36 35.14 64.72 0.14 31.33 2.08 0.22 0.01 0.10 0.00 65.95 0.30 68 R E E 116.89 5.92 18.46 25.68 123.98 -163.36 -122.61 139.31 3.62 96.35 0.03 3.34 0.26 0.04 0.01 0.01 0.00 96.01 0.33 69 Q E E 111.28 7.33 16.69 25.62 112.02 -119.80 -78.69 127.69 2.99 96.99 0.01 2.84 0.13 0.01 0.00 0.00 0.00 96.66 0.35 70 L E E 43.68 15.30 14.27 29.95 99.78 -177.00 -98.14 -12.30 29.01 70.75 0.24 27.67 0.83 0.12 0.04 0.14 0.00 70.82 0.37 71 G E E 25.36 5.39 20.52 26.89 126.18 -115.50 90.90 -165.41 35.03 64.90 0.07 17.25 17.18 0.69 0.00 0.06 0.00 64.64 0.17 72 L E E 80.69 9.56 18.64 28.78 116.54 -28.28 -86.82 134.78 8.67 91.28 0.05 7.12 0.93 0.09 0.01 0.03 0.00 91.74 0.08 73 V E E 22.27 19.38 16.71 36.22 124.36 -168.40 -121.75 135.80 0.63 99.36 0.00 0.56 0.04 0.00 0.00 0.00 0.00 99.36 0.03 74 V E E 58.88 10.41 23.95 34.77 117.18 -157.57 -108.59 126.15 0.49 99.51 0.00 0.43 0.03 0.00 0.00 0.00 0.00 99.50 0.03 75 C E E 14.42 20.66 16.40 37.18 125.83 -171.88 -120.82 141.89 13.66 86.32 0.02 12.53 0.48 0.03 0.01 0.01 0.00 86.75 0.20 76 R C C 117.39 6.95 23.00 30.21 116.42 -129.75 -89.19 133.26 70.67 28.96 0.37 55.16 13.15 0.95 0.11 0.26 0.00 29.75 0.61 77 G C S 24.13 14.13 17.70 31.13 115.26 -29.18 68.72 -148.78 59.26 5.64 35.10 13.67 29.65 16.84 5.26 29.22 0.08 4.26 1.01 78 T C G 86.04 6.71 21.09 27.97 95.42 -10.04 -78.86 -10.81 50.86 7.22 41.92 13.00 22.39 16.49 6.53 34.40 0.08 6.20 0.92 79 S H G 37.63 11.62 19.49 31.65 97.03 67.53 -89.72 -4.55 31.50 24.34 44.16 19.08 6.03 7.46 6.82 35.78 0.03 23.97 0.83 80 V E E 17.04 22.48 14.49 36.60 112.83 102.79 -89.58 122.89 14.14 75.61 10.25 11.90 1.24 0.88 7.87 1.97 0.01 75.45 0.68 81 V E E 61.39 9.78 23.28 33.09 102.32 175.28 -99.98 -28.22 9.21 80.52 10.27 6.81 1.05 0.80 8.82 1.16 0.01 81.06 0.30 82 L E E 58.04 10.79 23.39 34.34 130.87 1.78 -142.18 138.35 5.22 85.45 9.33 3.86 0.55 0.56 8.31 0.92 0.00 85.54 0.24 83 I E E 27.67 20.38 17.35 37.39 120.76 -165.31 -118.60 126.30 6.95 84.47 8.58 5.33 0.81 0.68 8.57 0.85 0.00 83.21 0.55 84 C E E 31.62 10.58 19.44 31.58 124.85 -174.93 -126.08 137.69 27.16 68.43 4.40 22.20 3.35 1.03 4.18 0.80 0.00 67.55 0.88 85 P C E 51.32 10.91 15.27 27.17 107.32 -121.80 -68.88 150.45 51.66 36.66 11.68 26.66 11.54 13.77 6.20 5.06 0.02 35.79 0.96 86 Q C T 115.15 5.70 15.07 21.82 96.89 -96.55 -71.94 -25.99 76.13 6.77 17.10 15.70 17.25 43.52 7.30 9.51 0.05 5.30 1.37 87 D C T 104.48 3.06 14.75 18.43 101.37 41.18 -91.43 15.38 80.19 3.82 16.00 16.45 16.31 47.62 5.52 10.30 0.02 2.74 1.05 88 G C C 38.42 7.67 13.26 22.01 105.73 -99.53 87.17 0.97 72.87 14.92 12.21 31.54 20.09 22.90 4.30 7.28 0.03 12.04 1.82 89 M C C 98.08 9.25 13.10 23.17 107.04 96.45 -89.05 66.66 56.22 31.81 11.97 38.23 10.58 8.10 5.43 6.55 0.03 28.30 2.77 90 E E E 111.12 5.25 16.27 22.86 116.21 105.62 -92.79 135.89 41.71 45.28 13.02 27.53 9.76 6.75 6.61 6.51 0.06 39.98 2.80 91 A C E 60.73 10.09 14.67 25.43 117.26 -132.20 -89.67 135.81 44.88 44.74 10.38 32.47 8.05 5.22 5.58 5.21 0.05 38.98 4.43 92 I C C 52.30 13.41 12.83 27.06 119.41 -157.21 -109.06 131.59 75.83 22.50 1.66 64.09 9.42 1.52 1.07 0.71 0.00 21.18 2.01 93 P C C 81.93 4.97 18.50 24.17 112.90 -112.33 -67.60 146.92 86.10 12.30 1.61 67.50 15.78 2.63 0.94 0.75 0.00 10.43 1.98 94 N C C 46.08 15.10 12.03 27.27 108.97 -109.53 -84.20 116.85 97.10 1.39 1.51 85.97 10.00 1.19 1.20 0.34 0.00 0.69 0.62 95 P C H 69.23 6.64 16.13 24.58 93.75 -155.33 -65.89 -23.61 52.39 0.86 46.76 15.34 7.90 29.17 34.08 12.58 0.05 0.50 0.39 96 F H H 88.46 9.52 14.52 24.97 95.31 60.82 -74.98 -20.93 44.03 2.52 53.45 11.20 7.69 25.50 38.22 14.43 0.34 1.68 0.95 97 I H H 69.38 10.02 12.65 23.57 101.47 57.51 -82.70 -20.76 36.08 7.11 56.81 19.67 8.13 10.68 40.93 13.54 0.21 5.05 1.79 98 Q H H 105.64 4.79 12.96 19.07 103.32 69.97 -80.73 11.85 41.46 6.42 52.12 28.35 7.10 8.01 41.81 8.60 0.06 4.51 1.57 99 Q C H 113.50 4.21 11.13 16.84 102.16 74.34 -79.96 -2.09 49.56 4.93 45.51 32.21 7.73 10.74 37.61 7.04 0.04 3.20 1.42 100 Q C C 115.48 4.50 9.55 15.73 105.38 68.16 -83.52 26.58 60.06 2.64 37.30 32.65 9.03 18.54 30.88 6.36 0.02 1.54 0.98 101 D C C 112.62 2.38 9.48 13.40 105.98 75.03 -85.47 68.20 80.05 0.83 19.12 57.67 2.04 20.64 15.73 3.05 0.00 0.42 0.46 102 A C C 77.69 3.89 10.42 15.95 107.35 124.88 -86.35 72.53 99.94 0.03 0.04 99.75 0.11 0.10 0.02 0.00 0.00 0.01 0.00