# 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 127.86 3.50 11.04 16.36 118.62 -153.06 -103.47 134.51 99.63 0.35 0.01 99.68 0.06 0.02 0.00 0.00 0.00 0.20 0.02 1 L C C 112.53 4.33 8.18 14.55 117.00 -153.86 -98.59 132.62 75.36 22.71 1.93 73.76 0.84 1.17 0.96 0.65 0.00 19.50 3.11 2 K C C 153.36 1.87 9.51 12.97 117.48 -153.23 -100.25 132.96 63.67 31.78 4.55 52.46 6.91 3.59 1.97 2.51 0.00 29.59 2.96 3 L C C 114.09 5.04 7.57 14.46 117.77 -157.01 -99.49 134.81 63.76 28.82 7.41 48.50 9.43 5.48 2.86 4.18 0.01 27.71 1.83 4 N C C 118.06 2.23 11.68 14.84 114.44 -161.72 -104.42 121.14 63.13 29.36 7.51 45.02 11.71 6.34 2.92 4.04 0.01 28.59 1.36 5 L C C 101.16 7.46 8.72 17.64 119.81 -155.44 -104.41 134.63 55.98 36.46 7.56 44.85 7.41 3.26 3.90 3.32 0.01 35.77 1.49 6 Q E E 116.95 3.94 13.19 18.71 120.96 -165.10 -116.36 136.08 41.40 52.01 6.58 34.45 4.62 2.24 4.06 2.53 0.01 50.19 1.91 7 F E E 127.57 7.29 11.62 20.34 118.16 -147.69 -100.73 133.00 37.54 56.16 6.31 30.37 4.95 2.48 4.09 2.51 0.01 53.13 2.47 8 F E E 116.06 6.23 12.86 20.55 121.32 -171.11 -118.11 136.52 46.05 48.79 5.17 36.73 6.44 2.78 3.31 2.20 0.01 45.82 2.73 9 A C C 61.11 8.08 11.18 20.51 115.72 -145.54 -94.59 134.53 58.77 35.59 5.64 44.75 9.48 4.25 3.00 2.71 0.01 33.51 2.28 10 S C C 71.94 5.32 12.41 19.18 114.08 -155.41 -99.94 129.91 67.99 26.10 5.90 40.12 21.38 7.49 2.54 3.26 0.03 22.51 2.68 11 K C C 131.81 4.65 11.92 18.14 114.94 -118.44 -99.10 133.25 73.95 19.39 6.66 44.48 21.61 8.71 2.82 3.80 0.02 15.39 3.17 12 K C C 140.22 3.98 12.04 17.82 111.63 -123.68 -83.52 132.02 81.58 12.33 6.08 40.39 20.80 21.01 2.10 3.75 0.01 9.89 2.06 13 G C C 46.52 5.80 11.45 18.70 113.45 -110.66 -89.89 138.71 85.87 8.64 5.49 40.90 23.90 21.75 1.61 3.67 0.01 6.29 1.86 14 V C C 96.52 5.13 11.35 18.03 113.79 -131.19 -96.20 131.33 79.73 10.28 9.99 43.75 21.59 14.76 4.11 5.78 0.02 6.56 3.41 15 S C C 69.66 5.36 11.66 18.42 112.85 -130.83 -86.28 139.38 75.50 9.49 15.02 39.57 20.33 16.55 6.26 8.40 0.03 6.03 2.83 16 S C C 73.28 5.05 11.70 18.19 106.31 -126.48 -87.43 67.78 68.41 12.02 19.57 40.50 16.06 12.20 8.74 10.81 0.06 7.76 3.87 17 T C C 79.78 5.73 10.95 18.20 108.68 115.16 -91.09 90.90 65.48 12.83 21.69 38.88 14.82 12.23 10.32 11.31 0.07 8.32 4.05 18 K C C 141.22 3.45 11.61 16.59 104.14 -136.45 -83.62 18.85 67.59 10.19 22.22 28.86 17.67 22.79 9.92 11.01 0.12 6.26 3.39 19 N C T 106.13 4.20 12.32 17.81 103.08 47.60 -91.33 22.34 80.55 4.32 15.12 23.67 22.23 35.77 5.73 8.32 0.04 2.55 1.68 20 G C C 45.55 5.70 12.61 19.55 102.64 -93.42 82.61 5.67 87.65 4.45 7.90 34.08 27.47 26.99 1.94 5.45 0.01 2.46 1.60 21 R C C 124.69 6.56 12.70 20.76 116.49 125.25 -93.78 138.43 78.38 11.32 10.30 50.64 17.58 9.98 4.06 6.23 0.02 6.06 5.43 22 D C C 84.03 7.47 13.19 21.78 109.33 -127.07 -86.61 117.09 79.14 7.71 13.15 56.63 12.70 9.47 5.21 8.19 0.00 4.78 3.02 23 S C C 60.66 8.63 12.89 22.36 104.91 -157.78 -84.97 26.41 63.79 4.60 31.61 37.10 13.37 14.06 8.44 22.70 0.02 2.65 1.66 24 E C G 123.92 4.76 16.07 21.73 103.79 91.04 -83.73 8.64 57.31 4.93 37.76 24.98 14.85 19.25 9.57 26.70 0.10 2.83 1.71 25 S C C 48.73 11.15 14.29 26.00 112.63 87.33 -87.19 128.75 58.29 5.70 36.01 32.84 13.21 13.60 8.67 26.49 0.03 3.56 1.59 26 K C C 88.40 11.86 17.07 29.03 115.64 -145.46 -97.88 131.76 66.38 14.10 19.53 44.43 14.62 8.09 6.72 12.66 0.02 10.68 2.76 27 R C C 103.76 12.24 20.12 32.02 119.82 -145.02 -101.89 136.47 60.27 34.09 5.65 45.88 10.27 3.85 2.80 3.14 0.02 28.33 5.71 28 L C E 37.63 18.45 19.26 37.07 121.78 -159.64 -105.12 139.30 50.65 47.95 1.40 41.11 7.11 1.69 0.63 0.78 0.00 46.27 2.40 29 G E E 12.49 15.88 22.41 37.70 140.66 166.64 -137.55 174.50 23.18 75.49 1.33 18.66 4.12 1.21 0.67 0.65 0.00 72.98 1.71 30 A E E 22.10 19.33 18.33 37.03 119.76 -87.75 -91.78 140.86 13.40 84.86 1.74 11.44 1.67 0.73 1.10 0.65 0.01 83.16 1.24 31 K E E 105.00 9.55 21.86 31.54 100.92 -162.19 -94.00 -17.24 15.63 82.00 2.37 11.07 4.23 1.44 1.34 0.95 0.01 79.52 1.45 32 R E E 88.81 11.72 18.28 30.24 129.26 23.45 -133.34 143.90 38.26 58.56 3.18 34.00 2.88 1.33 1.48 1.62 0.00 55.07 3.61 33 A C C 42.57 11.01 16.17 27.75 120.68 -135.52 -92.16 154.95 83.88 9.48 6.64 80.08 2.18 2.06 0.87 5.45 0.00 8.34 1.01 34 D C T 102.02 5.88 15.31 22.36 105.26 -58.84 -54.30 118.06 91.35 1.64 7.01 0.87 4.91 86.27 0.31 6.29 0.00 1.17 0.18 35 G C T 53.26 3.33 16.47 20.57 95.09 6.13 84.61 -1.85 92.92 0.84 6.23 1.42 6.04 85.58 0.14 6.05 0.00 0.67 0.09 36 Q C C 84.32 7.27 15.59 24.56 122.18 123.96 -90.02 147.82 87.20 12.76 0.04 79.76 6.77 0.16 0.00 0.05 0.00 12.84 0.41 37 F E E 116.02 7.89 19.96 28.66 115.74 -122.53 -88.00 135.14 6.81 93.19 0.00 6.99 0.16 0.01 0.00 0.00 0.00 91.30 1.53 38 V E E 10.41 23.05 12.75 35.80 125.57 -166.83 -118.06 141.08 1.52 98.48 0.00 1.67 0.01 0.00 0.00 0.00 0.00 96.45 1.86 39 T C C 74.32 4.41 24.50 29.09 124.79 -145.26 -103.26 152.38 58.63 41.36 0.01 59.27 0.47 0.03 0.00 0.01 0.00 39.19 1.02 40 G C T 32.04 13.85 15.75 29.47 109.40 -87.10 -59.23 136.11 99.06 0.80 0.14 0.12 2.21 97.11 0.00 0.08 0.00 0.42 0.05 41 G C T 39.66 6.38 21.25 28.44 96.69 24.76 88.54 -5.22 99.60 0.31 0.09 0.28 3.02 96.38 0.00 0.08 0.00 0.23 0.01 42 S C C 33.14 11.98 19.88 32.72 117.42 126.97 -75.72 146.15 88.30 11.65 0.04 85.00 3.07 0.10 0.01 0.04 0.00 11.28 0.51 43 I E E 46.61 16.19 21.65 37.54 110.86 -117.71 -79.38 124.31 3.14 96.85 0.01 3.18 0.09 0.01 0.00 0.00 0.00 95.68 1.04 44 L E E 8.86 23.22 21.42 44.48 101.22 176.53 -93.59 -33.53 2.49 97.51 0.00 1.74 0.63 0.04 0.00 0.00 0.00 97.55 0.03 45 Y E E 22.50 19.41 23.62 42.50 141.11 1.35 -153.14 150.04 2.26 97.72 0.02 1.76 0.34 0.06 0.00 0.01 0.00 97.74 0.07 46 R E E 80.32 14.68 22.04 35.96 123.16 -155.28 -117.91 132.66 12.19 87.71 0.10 10.72 1.14 0.20 0.02 0.06 0.00 87.50 0.36 47 Q C E 44.49 16.25 16.30 32.49 115.12 -143.45 -91.43 132.28 51.19 47.60 1.21 36.49 11.12 4.23 0.20 1.13 0.00 45.49 1.34 48 R C T 134.48 7.29 16.76 25.10 110.43 -140.55 -76.48 129.51 77.38 20.70 1.92 22.48 25.50 30.50 0.18 1.90 0.00 17.75 1.69 49 G C S 51.65 3.19 17.17 20.79 107.64 13.73 89.52 -23.53 91.62 7.36 1.03 21.54 37.70 32.40 0.06 1.26 0.00 6.34 0.70 50 T C C 57.87 12.09 12.27 24.94 119.08 106.66 -95.43 138.09 86.58 12.47 0.96 65.04 17.24 4.03 0.14 1.02 0.00 10.82 1.70 51 K C C 132.68 4.64 20.26 25.62 106.04 -141.72 -91.32 75.84 75.52 23.97 0.51 57.41 15.53 2.20 0.10 0.54 0.00 21.34 2.88 52 I C C 24.66 21.50 12.09 33.01 119.59 96.50 -104.86 132.82 53.72 45.98 0.29 44.88 7.58 0.61 0.13 0.20 0.00 31.17 15.42 53 Y C C 117.78 6.26 22.95 29.67 117.35 -155.78 -104.98 128.93 82.96 16.97 0.08 78.94 4.03 0.29 0.02 0.06 0.00 14.70 1.96 54 P C C 58.30 15.26 14.77 29.56 112.04 -111.10 -65.38 140.82 87.39 10.97 1.64 36.17 19.29 32.29 0.22 1.60 0.00 8.90 1.54 55 G C T 32.79 8.21 18.51 27.60 130.36 58.97 121.16 -169.77 91.29 6.43 2.28 23.36 32.72 35.48 0.22 2.42 0.00 4.08 1.72 56 E C T 134.43 3.20 20.85 24.34 99.76 -43.29 -77.21 -19.29 92.26 5.61 2.13 4.68 38.50 49.86 0.12 1.99 0.00 3.84 1.01 57 N C T 52.38 14.45 17.75 31.92 97.56 38.04 -96.67 3.77 87.26 11.98 0.75 12.02 26.49 48.80 0.04 0.89 0.00 11.25 0.50 58 V E E 17.20 22.40 14.17 36.13 125.14 90.41 -109.88 138.69 13.91 86.06 0.02 12.02 1.29 0.08 0.00 0.01 0.00 86.15 0.44 59 G E E 22.59 8.24 24.09 32.98 141.13 166.59 -151.05 174.46 0.71 99.28 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.27 0.05 60 R E E 120.53 11.29 17.01 28.93 123.28 -111.91 -113.20 138.90 1.60 98.40 0.00 1.60 0.05 0.00 0.00 0.00 0.00 97.99 0.36 61 G C C 22.12 11.84 12.50 25.16 125.23 -146.69 -89.69 175.14 82.74 17.20 0.06 80.53 1.27 0.19 0.01 0.05 0.00 17.42 0.52 62 G C T 62.80 1.08 15.99 16.33 94.13 -86.88 -62.96 -28.76 94.72 1.89 3.38 1.75 16.28 76.09 0.07 4.09 0.00 1.39 0.33 63 D C T 98.60 3.59 15.98 20.35 95.68 49.10 -91.13 8.28 96.81 0.21 2.98 0.82 12.48 82.72 0.04 3.77 0.00 0.12 0.06 64 D C S 59.31 12.55 15.85 28.69 95.01 -106.14 72.01 22.24 95.14 1.87 2.98 12.70 57.16 24.41 0.10 3.83 0.00 1.47 0.33 65 T C C 22.69 13.34 20.37 34.97 121.78 136.26 -91.36 144.81 54.75 45.23 0.02 53.96 0.97 0.07 0.00 0.01 0.00 44.29 0.70 66 L E E 3.63 25.26 19.52 45.75 116.15 -129.29 -92.55 131.88 0.28 99.72 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.68 0.03 67 F E E 46.23 12.56 27.22 40.31 128.26 -169.91 -123.60 142.92 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.01 68 A E E 5.14 23.96 14.99 39.64 113.30 -115.73 -77.01 134.89 7.63 92.37 0.00 7.83 0.09 0.00 0.00 0.00 0.00 91.71 0.35 69 K C S 103.14 6.41 23.44 30.61 95.55 -160.33 -86.75 -17.72 93.58 6.31 0.11 15.97 67.77 9.58 0.00 0.14 0.00 6.29 0.24 70 I C S 61.83 7.52 21.52 29.97 135.29 31.89 -135.60 159.34 93.04 6.82 0.14 2.32 80.95 10.08 0.00 0.14 0.00 6.15 0.35 71 D C C 83.58 7.01 21.88 29.42 112.75 -94.97 -67.25 138.40 92.69 7.17 0.14 50.02 37.23 4.94 0.01 0.19 0.00 7.35 0.26 72 G E E 10.32 10.93 21.01 33.95 143.02 89.38 165.62 -172.36 22.13 77.86 0.01 19.24 2.65 0.15 0.00 0.01 0.00 77.34 0.60 73 V E E 40.85 10.38 24.57 36.28 123.21 -65.69 -115.41 137.86 0.72 99.28 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.22 0.07 74 V E E 4.44 25.51 16.47 42.87 118.04 -150.24 -103.63 129.86 0.35 99.65 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.66 0.00 75 K E E 68.58 9.27 26.25 35.91 124.37 -168.19 -119.06 136.90 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 76 F E E 24.47 22.01 15.26 36.95 122.62 -160.35 -112.90 136.70 0.96 99.04 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.09 0.03 77 E E E 81.60 6.55 21.09 28.35 127.39 -174.73 -127.06 143.51 1.60 98.40 0.00 1.38 0.07 0.01 0.00 0.00 0.00 98.49 0.05 78 R E E 116.85 9.72 12.46 23.25 114.09 -127.71 -89.47 126.57 9.50 90.45 0.05 8.25 0.79 0.12 0.01 0.04 0.00 90.49 0.30 79 K E E 113.04 5.11 12.41 19.05 106.93 -176.26 -105.65 7.08 45.11 54.42 0.47 31.92 8.50 3.73 0.05 0.50 0.00 54.78 0.53 80 G C T 45.46 2.02 13.04 15.46 128.41 -46.90 134.84 -177.80 69.46 28.11 2.43 10.83 27.17 33.47 0.14 2.49 0.01 24.60 1.29 81 R C T 194.18 0.90 11.17 11.95 100.19 -34.20 -65.15 -19.30 96.94 0.52 2.54 3.83 23.77 68.88 0.10 2.92 0.00 0.34 0.16 82 D C T 122.44 1.76 11.43 14.02 98.72 -0.20 -93.46 14.73 96.70 1.22 2.08 6.46 28.87 61.06 0.08 2.42 0.00 0.87 0.24 83 K E E 99.65 6.02 12.68 20.51 122.42 95.64 -114.66 138.07 44.76 54.97 0.27 34.98 7.36 1.89 0.04 0.27 0.00 54.50 0.96 84 K E E 71.63 12.82 12.91 26.48 125.62 -169.73 -119.54 141.93 18.27 81.71 0.02 17.02 0.61 0.06 0.00 0.01 0.00 82.10 0.18 85 Q E E 67.16 9.35 20.95 31.11 125.43 -163.02 -120.66 141.35 2.30 97.69 0.00 2.03 0.12 0.01 0.00 0.00 0.00 97.79 0.05 86 V E E 18.93 20.80 16.50 37.36 123.74 -161.25 -119.04 134.85 0.78 99.22 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.01 87 S E E 27.65 10.13 24.61 35.63 130.34 -170.81 -124.16 149.89 1.23 98.76 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.85 0.01 88 V E E 20.89 21.58 16.57 38.05 121.81 -150.60 -115.52 131.47 2.31 97.68 0.01 2.05 0.13 0.01 0.00 0.00 0.00 97.73 0.06 89 Y E E 82.59 9.30 21.75 31.68 125.20 -171.04 -124.30 137.38 5.71 94.27 0.02 4.95 0.52 0.05 0.00 0.01 0.00 94.28 0.18 90 A E E 53.70 9.78 17.40 27.66 114.11 -109.27 -69.29 143.75 16.98 82.83 0.19 14.56 1.90 0.45 0.04 0.16 0.00 82.23 0.65 91 V C C 62.43 12.38 11.43 24.18 114.46 -131.60 -90.29 132.37 78.50 19.74 1.76 63.95 9.31 4.05 0.37 1.50 0.00 19.33 1.49 92 A C C 74.42 3.87 11.38 16.87 114.96 -128.86 -89.71 140.56 92.31 6.33 1.37 87.14 1.69 3.71 0.30 0.87 0.00 5.38 0.90 93 E C C 145.56 2.57 12.66 16.79 110.55 -105.17 -78.04 133.22 99.88 0.10 0.02 99.81 0.08 0.04 0.01 0.00 0.00 0.05 0.01