# 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 86.86 9.97 12.41 23.13 119.53 -167.61 -99.46 140.15 99.73 0.26 0.01 99.73 0.08 0.02 0.00 0.00 0.00 0.15 0.02 1 K C C 143.62 2.94 14.14 18.41 113.68 -143.01 -92.53 127.62 72.71 27.07 0.22 72.45 1.22 0.45 0.10 0.10 0.00 16.32 9.36 2 Y C C 107.06 10.60 10.28 21.66 119.13 -150.07 -102.46 134.39 81.12 18.77 0.10 65.95 15.47 0.43 0.03 0.09 0.00 15.78 2.25 3 P C C 45.33 11.27 11.69 24.30 114.93 -107.60 -65.87 149.18 87.41 12.40 0.19 85.16 1.96 0.47 0.04 0.14 0.00 11.40 0.84 4 K C S 142.72 3.17 15.35 19.90 96.27 -142.82 -77.05 -29.29 88.35 11.60 0.05 12.35 74.33 1.19 0.00 0.05 0.00 11.76 0.33 5 Q E E 98.53 4.57 17.05 22.86 130.61 19.84 -137.47 143.77 29.22 70.68 0.11 21.09 7.00 0.62 0.01 0.11 0.00 70.68 0.48 6 I E E 52.80 14.45 12.31 27.24 125.66 -171.25 -126.83 138.32 13.86 86.13 0.01 13.02 0.44 0.02 0.00 0.01 0.00 86.30 0.21 7 R E E 113.82 7.07 17.55 25.75 117.56 -138.25 -96.97 133.37 4.61 95.39 0.00 4.44 0.11 0.00 0.00 0.00 0.00 95.37 0.07 8 T E E 42.48 11.88 15.17 28.18 129.32 -170.14 -127.54 150.92 1.43 98.57 0.00 1.24 0.07 0.00 0.00 0.00 0.00 98.67 0.02 9 Y E E 93.57 7.87 15.56 25.12 118.23 -128.40 -99.03 133.68 1.91 98.08 0.00 1.84 0.09 0.00 0.00 0.00 0.00 97.46 0.60 10 C C C 20.96 12.01 10.50 24.67 108.90 -138.26 -90.18 113.47 58.30 41.67 0.03 57.55 0.58 0.05 0.00 0.02 0.00 41.25 0.54 11 P C T 86.63 3.92 13.69 19.43 92.92 -162.24 -66.70 -27.02 98.27 0.10 1.62 0.28 3.19 94.38 0.01 2.05 0.00 0.06 0.02 12 F C T 157.56 1.38 13.13 14.61 97.55 46.82 -77.12 -39.00 98.08 0.08 1.84 0.18 2.90 94.65 0.02 2.20 0.00 0.04 0.02 13 C C T 74.22 3.26 11.35 15.97 99.60 26.00 -102.01 -9.93 98.59 0.09 1.33 0.82 4.20 93.17 0.02 1.72 0.00 0.05 0.02 14 K C T 151.77 2.81 11.66 16.45 93.38 -127.55 61.31 29.03 99.16 0.49 0.36 32.74 5.58 60.87 0.07 0.24 0.00 0.40 0.09 15 R E E 131.17 2.63 14.77 18.64 125.97 125.71 -112.16 151.62 36.92 63.05 0.02 34.22 2.21 0.13 0.00 0.02 0.00 62.46 0.95 16 H E E 99.86 10.43 11.73 23.00 116.85 -113.87 -84.43 136.55 1.51 98.49 0.00 1.48 0.04 0.00 0.00 0.00 0.00 98.30 0.18 17 T E E 46.60 8.54 15.35 25.77 129.21 -173.57 -129.83 147.97 1.31 98.69 0.00 1.20 0.05 0.00 0.00 0.00 0.00 98.74 0.01 18 I E E 99.57 6.34 17.12 24.68 114.61 -112.29 -79.09 134.84 2.97 97.03 0.00 2.75 0.11 0.00 0.00 0.00 0.00 97.07 0.07 19 H E E 41.32 16.49 11.85 28.51 128.46 -171.93 -122.84 150.13 14.69 85.29 0.02 12.97 0.86 0.05 0.00 0.01 0.00 85.97 0.12 20 K E E 118.58 4.26 21.24 25.98 118.80 -130.73 -99.68 136.13 11.80 88.18 0.02 11.00 0.47 0.04 0.01 0.01 0.00 88.20 0.27 21 V E E 32.57 19.13 11.44 30.06 119.38 -150.35 -106.67 132.51 12.76 87.19 0.05 11.95 0.52 0.05 0.01 0.02 0.00 87.00 0.45 22 E E E 92.51 5.83 18.82 25.64 123.61 -168.55 -117.00 141.55 9.82 90.10 0.07 8.98 0.63 0.08 0.02 0.04 0.00 89.68 0.57 23 K E E 115.87 7.94 15.23 24.47 115.19 -122.60 -84.28 131.89 15.22 84.64 0.14 13.88 1.11 0.15 0.05 0.08 0.00 83.74 0.99 24 V E E 56.36 11.86 10.40 23.00 118.63 -150.01 -99.83 137.66 48.73 50.95 0.32 44.45 2.91 0.50 0.09 0.22 0.00 50.05 1.78 25 K C C 133.48 2.97 13.50 17.76 118.97 -136.46 -94.82 145.18 81.17 18.30 0.53 62.98 15.48 2.35 0.12 0.46 0.00 17.13 1.48 26 K C C 149.55 3.36 10.79 16.14 111.80 -105.12 -75.75 134.80 90.75 8.58 0.66 50.78 37.65 2.95 0.18 0.50 0.00 6.21 1.73 27 R C C 131.37 5.15 8.92 16.12 120.87 -150.50 -100.54 145.71 92.76 6.15 1.09 51.15 40.23 1.93 0.52 0.56 0.00 3.79 1.81 28 P C C 102.55 2.09 11.71 14.90 113.32 -99.08 -66.40 147.90 93.59 4.52 1.89 81.03 9.36 3.11 0.74 1.12 0.00 3.00 1.64 29 R C C 162.19 3.87 9.09 15.10 112.18 -107.78 -75.61 139.68 90.21 5.49 4.31 75.20 10.17 4.12 2.11 2.32 0.00 2.66 3.43 30 S C C 62.13 4.51 9.00 15.33 118.57 -136.66 -93.23 153.44 87.62 4.58 7.80 67.11 13.58 6.16 3.70 4.35 0.00 2.25 2.85 31 E C T 157.53 1.35 10.96 12.78 94.78 -117.76 -68.55 -21.62 76.42 1.71 21.87 19.19 25.05 33.06 10.50 10.32 0.04 0.84 1.01 32 L C T 116.50 2.83 10.27 14.45 99.06 58.64 -86.32 -2.92 75.47 1.84 22.69 20.57 22.68 33.15 12.23 9.37 0.05 0.87 1.10 33 S C C 47.95 6.40 10.04 18.23 112.06 105.48 -82.54 138.95 70.88 2.62 26.50 39.64 23.15 8.57 19.77 6.38 0.02 0.99 1.49 34 A H H 68.67 3.81 13.38 18.30 95.42 -123.00 -64.22 -32.80 38.25 1.43 60.31 11.05 7.98 20.26 52.50 6.69 0.15 0.81 0.57 35 G H H 30.91 5.33 13.42 20.37 94.21 52.35 -64.56 -38.29 35.52 1.25 63.23 12.17 6.25 18.41 55.19 6.66 0.10 0.76 0.46 36 Q H H 79.67 5.77 13.58 20.87 94.00 54.96 -67.57 -37.38 17.11 1.20 81.69 10.67 3.05 4.96 74.14 6.03 0.02 0.86 0.27 37 R H H 112.71 4.65 14.44 20.31 93.67 55.03 -67.00 -38.87 11.35 1.63 87.02 6.38 1.98 4.18 79.87 5.92 0.03 1.40 0.23 38 R H H 119.98 3.95 15.20 20.00 93.40 52.79 -67.26 -39.38 10.99 2.28 86.73 5.34 1.84 4.71 78.98 6.59 0.05 2.21 0.27 39 F H H 97.46 5.18 13.70 20.28 94.09 52.22 -67.55 -39.21 12.86 2.16 84.98 5.72 2.26 5.90 76.90 6.87 0.08 1.89 0.37 40 R H H 128.71 4.19 14.24 19.57 94.09 53.08 -67.96 -36.33 19.56 1.70 78.74 8.11 3.25 9.29 70.98 6.57 0.10 1.26 0.44 41 R H H 132.67 3.79 13.46 18.43 94.37 54.62 -71.02 -30.44 29.22 1.92 68.86 10.38 4.72 15.06 60.77 7.04 0.13 1.26 0.63 42 K H H 120.74 4.18 12.75 18.12 97.33 56.88 -77.62 -19.36 41.80 3.78 54.42 19.09 7.92 16.47 47.31 5.52 0.13 2.20 1.37 43 L C C 95.77 5.44 10.92 17.79 101.98 69.41 -83.29 -4.41 59.82 5.88 34.30 33.29 10.27 16.52 29.78 4.53 0.07 3.15 2.38 44 K C C 141.39 2.68 11.77 15.88 110.33 87.30 -89.65 122.50 73.87 7.01 19.13 29.24 18.01 27.46 14.54 4.11 0.14 3.49 3.01 45 G C T 50.01 2.82 11.89 15.93 116.10 12.17 96.82 -169.37 86.48 3.34 10.17 27.37 24.45 35.58 4.29 5.08 0.01 1.81 1.39 46 Y C C 155.71 3.88 9.65 15.17 105.61 -44.31 -89.85 25.99 78.26 7.05 14.69 32.82 21.42 24.89 4.07 9.71 0.05 3.42 3.63 47 T C T 104.69 2.13 10.69 13.97 102.02 59.09 -84.84 21.82 84.06 4.43 11.50 20.93 18.95 44.46 2.11 9.07 0.02 2.54 1.92 48 G C T 51.31 3.55 10.85 15.86 104.50 -41.42 49.64 9.93 88.55 4.22 7.24 30.40 25.30 33.07 0.97 6.38 0.00 2.48 1.39 49 F C C 120.78 4.77 9.69 16.37 118.09 124.16 -97.34 136.31 91.07 8.38 0.55 56.36 33.72 1.55 0.17 0.40 0.00 3.98 3.82 50 P C C 92.39 4.04 11.36 17.10 112.58 -107.84 -69.84 146.57 91.47 8.06 0.47 70.29 18.47 2.54 0.12 0.41 0.00 4.48 3.68 51 R C C 139.09 5.51 10.21 17.61 118.37 -120.13 -94.12 138.27 90.50 9.25 0.25 69.45 20.28 1.14 0.08 0.20 0.00 4.96 3.88 52 P C C 90.43 4.29 12.23 18.11 113.16 -103.71 -67.46 149.48 90.76 8.89 0.35 76.02 12.99 1.59 0.10 0.29 0.00 4.61 4.40 53 N C C 110.50 4.02 11.36 17.45 111.53 -113.30 -86.59 121.76 96.37 3.44 0.19 84.46 11.27 0.64 0.06 0.13 0.00 1.79 1.65 54 P C C 70.56 8.41 8.53 18.26 110.56 -126.14 -71.10 144.24 94.99 2.33 2.67 79.63 7.64 7.28 0.50 2.48 0.00 1.32 1.16 55 A C C 91.40 1.58 11.55 13.98 108.83 -119.36 -79.38 119.02 91.39 3.57 5.03 44.15 19.22 27.81 0.78 4.54 0.00 1.78 1.72 56 G C C 52.58 2.90 9.75 14.35 118.01 -12.24 100.62 169.56 90.49 3.84 5.68 38.20 25.51 26.62 0.82 5.27 0.00 1.99 1.58 57 R C C 164.67 3.03 9.66 14.53 114.21 -102.55 -90.27 133.91 88.69 6.12 5.20 53.45 25.59 9.24 1.11 4.36 0.00 2.95 3.30 58 E C C 139.24 2.54 10.47 14.75 113.87 -125.77 -87.50 137.24 89.75 6.51 3.74 56.76 26.05 6.61 0.95 2.86 0.00 3.10 3.67 59 K C C 126.07 5.19 10.17 17.23 115.70 -111.35 -85.68 136.91 94.14 4.62 1.24 69.45 22.67 2.13 0.38 0.88 0.00 2.57 1.91 60 P C C 88.11 4.99 11.93 18.43 107.50 -119.43 -69.81 143.37 92.38 5.63 1.99 70.49 15.23 6.45 0.42 1.84 0.00 3.43 2.16 61 V C C 71.05 9.36 11.18 21.68 119.81 -111.67 -102.89 138.88 78.99 19.11 1.90 59.41 13.26 5.62 0.47 1.78 0.00 13.45 6.01 62 K C C 118.87 6.08 15.23 22.57 115.77 -146.32 -98.42 134.07 76.20 23.30 0.49 58.95 15.73 1.30 0.13 0.40 0.00 21.64 1.86 63 K E E 98.60 10.12 14.48 25.40 123.47 -148.80 -109.60 140.68 45.28 54.59 0.14 40.16 4.12 0.36 0.04 0.11 0.00 53.22 2.00 64 L E E 42.87 12.90 15.11 29.33 121.97 -155.36 -113.83 134.96 12.16 87.81 0.02 11.88 0.46 0.03 0.01 0.01 0.00 86.56 1.05 65 D E E 61.80 8.67 19.31 29.09 117.60 -142.95 -100.51 131.57 8.72 91.27 0.01 7.77 0.62 0.02 0.00 0.01 0.00 91.45 0.13 66 L E E 22.59 18.07 15.79 34.37 123.52 -168.32 -116.30 137.58 3.20 96.79 0.00 3.06 0.10 0.00 0.00 0.00 0.00 96.77 0.06 67 R E E 87.00 9.27 21.89 31.94 117.78 -149.50 -105.64 126.89 1.89 98.11 0.00 1.76 0.06 0.00 0.00 0.00 0.00 98.14 0.03 68 F E E 20.83 19.68 16.24 36.00 126.95 -171.77 -120.52 145.90 1.11 98.89 0.00 0.91 0.10 0.00 0.00 0.00 0.00 98.97 0.01 69 R E E 101.21 6.85 21.78 29.41 118.80 -139.74 -108.91 131.10 1.34 98.66 0.00 1.34 0.07 0.00 0.00 0.00 0.00 97.97 0.61 70 C E E 12.21 18.17 10.55 29.61 109.99 -124.52 -76.63 124.45 47.51 52.46 0.03 47.13 0.62 0.05 0.01 0.02 0.00 51.32 0.85 71 T C T 93.23 3.29 16.70 21.17 93.71 -154.39 -70.71 -25.98 99.73 0.10 0.17 0.19 5.77 93.81 0.01 0.14 0.00 0.06 0.02 72 V C T 102.75 2.83 15.29 18.92 98.84 46.33 -80.67 -40.52 99.77 0.03 0.19 0.06 2.74 97.05 0.00 0.11 0.00 0.01 0.01 73 C C T 65.34 5.14 13.24 19.94 101.47 20.91 -104.65 -15.20 99.85 0.04 0.11 0.23 2.48 97.19 0.00 0.07 0.00 0.02 0.01 74 G C C 45.79 4.54 13.64 19.93 95.83 -121.05 79.61 7.36 99.30 0.56 0.15 80.68 5.38 13.26 0.04 0.10 0.00 0.36 0.19 75 K C C 99.99 5.13 15.33 22.16 119.77 142.00 -79.95 148.66 90.91 9.07 0.02 90.10 1.02 0.07 0.00 0.01 0.00 8.37 0.42 76 A E E 50.99 12.71 13.58 26.66 123.26 -131.83 -102.62 145.09 1.78 98.22 0.00 1.80 0.05 0.00 0.00 0.00 0.00 97.64 0.51 77 H E E 72.80 10.36 16.94 28.35 131.57 -175.75 -135.24 150.34 1.74 98.25 0.00 1.64 0.06 0.00 0.00 0.00 0.00 98.23 0.07 78 T E E 72.94 9.66 16.46 26.94 116.01 -124.81 -94.70 130.59 15.01 84.96 0.03 14.02 0.75 0.08 0.01 0.02 0.00 84.62 0.50 79 R C C 102.91 11.12 14.74 26.33 116.09 -165.32 -106.04 132.59 58.55 41.19 0.26 51.45 4.43 0.89 0.04 0.23 0.00 42.22 0.74 80 G C C 35.66 7.19 16.52 24.43 123.57 -97.87 108.63 -169.53 77.54 21.89 0.57 56.75 16.02 3.30 0.06 0.65 0.00 22.52 0.70 81 Q C C 121.36 4.78 18.28 24.04 114.26 -70.22 -89.19 137.89 74.12 25.26 0.62 45.13 23.59 4.93 0.06 0.73 0.00 24.69 0.87 82 G C E 20.51 13.83 16.08 29.89 128.96 -39.05 119.47 172.35 51.38 48.27 0.35 38.68 10.05 2.18 0.04 0.37 0.00 47.87 0.80 83 F E E 56.60 14.81 19.13 34.14 126.42 -113.53 -118.85 142.26 16.33 83.58 0.09 14.66 1.29 0.16 0.03 0.06 0.00 81.91 1.89 84 R E E 89.47 11.49 21.62 33.27 121.03 -146.18 -104.78 136.83 11.22 88.69 0.10 9.86 0.71 0.11 0.05 0.05 0.00 83.83 5.38 85 V E E 23.38 19.88 14.41 34.26 123.19 -155.25 -113.23 137.96 38.11 61.37 0.52 35.28 2.01 0.42 0.20 0.31 0.00 59.66 2.11 86 K C E 114.28 5.73 20.10 26.48 100.65 -170.41 -90.80 -30.93 65.36 34.03 0.61 31.23 31.06 3.01 0.08 0.57 0.00 33.36 0.68 87 K C C 105.61 5.01 21.72 27.43 134.73 3.97 -146.12 146.18 62.50 36.81 0.69 36.70 22.48 3.11 0.07 0.73 0.00 36.28 0.64 88 F E E 51.34 20.56 11.68 31.25 126.80 -163.80 -128.40 137.65 42.85 56.47 0.68 39.69 2.44 0.53 0.17 0.46 0.00 55.74 0.98 89 E E E 94.13 5.23 20.70 26.57 120.07 -162.00 -114.19 131.48 26.67 72.86 0.47 24.90 1.48 0.42 0.13 0.30 0.00 71.87 0.90 90 L E E 73.87 12.76 12.14 25.40 116.71 -144.75 -95.10 131.07 24.04 75.36 0.59 21.51 2.01 0.67 0.15 0.40 0.00 74.55 0.71 91 V E E 74.50 5.84 13.72 21.32 124.50 -171.68 -120.97 143.60 26.34 73.16 0.50 22.83 2.56 0.73 0.15 0.33 0.00 72.54 0.87 92 E E E 133.59 3.70 11.92 17.62 113.49 -115.48 -81.19 133.12 34.65 65.08 0.28 32.93 0.95 0.45 0.08 0.16 0.00 64.24 1.18 93 V C C 80.15 8.34 10.90 20.46 116.18 -148.29 -101.87 133.12 99.02 0.98 0.01 99.07 0.08 0.02 0.00 0.00 0.00 0.81 0.02