# 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 102.39 7.41 12.78 21.27 108.51 84.18 -89.39 103.32 99.55 0.11 0.34 99.38 0.12 0.14 0.29 0.01 0.00 0.04 0.02 1 A C C 61.39 6.06 11.21 18.64 107.94 108.70 -81.65 109.48 67.53 0.57 31.89 60.44 0.86 4.62 32.68 0.93 0.00 0.23 0.24 2 D H H 90.85 3.42 12.80 17.24 105.16 -98.93 -79.98 61.73 45.63 0.72 53.65 35.05 4.00 5.36 53.69 1.32 0.00 0.30 0.28 3 L H H 79.20 7.53 12.84 21.63 94.04 65.17 -65.14 -37.93 9.38 0.33 90.29 5.79 1.34 2.53 88.80 1.25 0.00 0.19 0.10 4 L H H 63.59 9.32 13.66 24.13 92.77 52.88 -65.60 -39.57 3.87 0.26 95.86 2.32 0.53 1.26 94.50 1.14 0.00 0.19 0.05 5 K H H 109.18 3.47 16.87 20.88 92.39 52.01 -65.02 -40.36 2.73 0.25 97.02 1.60 0.36 0.96 95.82 1.02 0.00 0.21 0.04 6 F H H 87.43 4.75 16.38 22.37 92.51 50.44 -64.80 -41.93 2.70 0.32 96.98 1.42 0.35 1.08 95.98 0.84 0.01 0.27 0.05 7 V H H 42.51 10.45 15.44 27.13 92.69 49.26 -65.41 -42.10 2.99 0.34 96.67 1.45 0.39 1.27 95.82 0.73 0.01 0.27 0.07 8 Q H H 78.28 8.71 16.12 25.68 92.54 50.72 -64.91 -40.49 4.06 0.18 95.75 1.63 0.52 1.96 94.90 0.80 0.01 0.11 0.06 9 N H H 94.14 3.35 17.59 21.30 93.78 48.31 -68.98 -36.95 8.07 0.14 91.80 1.95 0.98 5.30 90.19 1.41 0.03 0.06 0.07 10 E H H 98.25 5.20 17.11 23.03 95.49 45.79 -74.01 -36.34 16.31 0.14 83.55 2.23 1.64 12.55 81.66 1.75 0.04 0.06 0.08 11 F H H 69.83 11.05 14.46 26.27 98.63 43.70 -83.32 -32.95 34.38 0.64 64.98 7.31 5.52 22.61 61.40 2.44 0.10 0.27 0.35 12 V C H 56.87 10.27 13.28 24.52 100.56 58.05 -80.01 -23.64 50.48 2.37 47.15 25.83 10.63 16.26 40.31 4.67 0.09 1.14 1.07 13 A C C 62.79 5.06 14.20 20.49 100.73 67.05 -75.93 -16.69 61.44 1.63 36.92 34.09 10.38 17.65 29.23 7.05 0.02 0.79 0.78 14 K C C 125.80 5.40 12.76 19.47 102.67 67.60 -81.67 8.80 68.83 1.38 29.79 37.96 14.81 16.29 18.23 11.28 0.02 0.61 0.81 15 K C C 125.59 5.65 12.92 19.98 106.15 107.52 -86.52 38.41 79.83 1.42 18.75 45.05 18.89 16.11 8.09 10.39 0.00 0.66 0.81 16 D C C 107.70 3.19 15.91 20.13 105.91 -131.71 -88.98 75.91 88.21 1.83 9.96 61.97 13.30 12.82 2.96 7.05 0.00 0.97 0.93 17 F C C 61.77 17.56 10.43 27.01 118.32 142.35 -93.77 135.59 98.60 1.12 0.29 73.83 24.20 0.60 0.12 0.15 0.00 0.43 0.67 18 P C C 49.15 10.29 16.62 28.12 115.12 -109.59 -67.49 151.13 99.29 0.35 0.37 90.40 6.00 2.92 0.06 0.30 0.00 0.20 0.11 19 D C C 99.80 5.44 20.56 27.17 111.23 -113.31 -80.27 129.70 96.30 3.11 0.59 83.32 9.18 3.72 0.10 0.60 0.00 1.44 1.64 20 F C C 21.84 22.70 11.75 33.69 125.27 -169.26 -116.56 142.69 91.52 8.32 0.16 88.38 3.11 0.20 0.07 0.08 0.00 2.80 5.36 21 G C C 29.40 5.41 24.52 29.81 133.33 -164.72 -118.77 171.07 98.52 1.41 0.07 97.85 0.86 0.11 0.02 0.02 0.00 0.47 0.65 22 A C T 56.26 11.68 15.97 27.98 110.41 -73.17 -60.72 136.72 99.59 0.25 0.16 0.23 1.84 97.66 0.01 0.08 0.00 0.12 0.06 23 G C T 40.14 5.34 20.13 26.40 96.70 26.05 90.18 -6.28 99.85 0.08 0.06 0.35 1.83 97.71 0.00 0.04 0.00 0.06 0.01 24 D C C 32.88 13.46 16.09 30.87 118.29 132.54 -72.16 147.94 94.93 5.06 0.01 93.76 1.30 0.03 0.00 0.00 0.00 4.79 0.12 25 T E E 55.59 9.45 22.65 32.69 119.01 -133.63 -102.70 133.31 1.42 98.58 0.00 1.48 0.02 0.00 0.00 0.00 0.00 98.33 0.16 26 I E E 5.73 24.54 15.90 41.07 126.78 -170.83 -123.22 141.98 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 27 T E E 38.04 9.18 25.75 36.02 117.37 -142.56 -103.63 128.45 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 28 V E E 3.66 25.36 16.97 43.40 119.50 -163.52 -110.85 128.66 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 29 F E E 48.54 10.41 24.82 36.08 123.16 -167.27 -117.32 136.70 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 30 Y E E 20.88 20.55 17.03 37.55 128.43 -172.16 -126.60 143.47 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 31 E E E 63.55 8.89 21.24 31.22 117.36 -147.87 -107.45 127.63 0.88 99.12 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.18 0.01 32 I E E 29.42 15.29 13.51 29.84 122.38 -169.21 -114.74 136.62 3.35 96.64 0.01 2.82 0.24 0.03 0.00 0.01 0.00 96.85 0.06 33 K E E 114.62 5.00 14.40 21.04 115.92 -140.80 -103.20 126.85 12.74 87.17 0.09 10.51 1.58 0.27 0.02 0.06 0.00 87.26 0.29 34 E E E 99.18 6.28 9.60 17.65 114.93 -178.04 -124.67 110.18 32.63 65.85 1.52 16.66 9.35 8.43 0.18 1.50 0.00 63.04 0.83 35 G C T 62.35 0.61 12.13 11.72 111.12 -45.71 64.37 -131.74 97.32 0.65 2.03 4.39 19.59 72.96 0.09 2.34 0.00 0.48 0.15 36 E C T 177.15 0.30 10.45 9.10 96.68 -24.68 -86.90 -0.14 97.34 0.63 2.03 4.79 24.42 67.87 0.09 2.24 0.00 0.46 0.13 37 K E E 130.04 2.21 10.14 14.10 121.67 88.23 -102.94 143.14 29.25 70.48 0.26 17.45 10.61 2.58 0.04 0.27 0.00 68.08 0.97 38 T E E 84.26 6.55 9.51 18.11 121.32 -152.26 -111.76 135.92 14.06 85.91 0.03 12.22 0.92 0.13 0.00 0.02 0.00 86.48 0.23 39 R E E 103.02 5.98 13.90 21.85 127.46 -176.01 -127.21 146.57 4.26 95.73 0.01 3.73 0.24 0.03 0.00 0.00 0.00 95.93 0.07 40 T E E 76.69 8.56 13.86 23.95 121.60 -142.10 -107.46 136.23 1.95 98.05 0.00 1.82 0.07 0.00 0.00 0.00 0.00 98.08 0.03 41 Q E E 57.73 11.36 15.87 28.43 130.74 -176.12 -132.70 148.35 0.94 99.06 0.00 0.87 0.04 0.00 0.00 0.00 0.00 99.08 0.00 42 F E E 97.27 9.32 19.57 29.61 118.35 -131.28 -96.83 134.25 0.35 99.65 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.00 43 F E E 15.00 20.88 16.07 37.22 131.03 -174.97 -128.61 149.72 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 44 K E E 83.43 10.25 25.08 35.44 124.92 -150.36 -118.23 138.49 0.62 99.38 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.49 0.00 45 G E E 4.69 18.08 22.28 40.55 144.79 119.98 -167.84 -171.97 1.31 98.69 0.00 0.91 0.14 0.00 0.00 0.00 0.00 98.94 0.01 46 V E E 34.53 12.42 26.00 39.41 122.30 -71.56 -110.68 136.35 0.35 99.65 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 47 V E E 7.36 24.02 17.54 42.51 109.32 -117.78 -75.11 124.26 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 48 I E E 45.25 11.96 23.29 36.08 100.86 173.90 -99.96 -30.85 0.59 99.41 0.00 0.40 0.08 0.00 0.00 0.00 0.00 99.51 0.00 49 Q E E 66.20 7.55 25.11 33.66 141.89 0.16 -156.68 152.89 0.33 99.67 0.00 0.24 0.03 0.00 0.00 0.00 0.00 99.72 0.00 50 R E E 78.21 19.47 14.23 32.33 125.93 -162.62 -128.25 131.98 1.25 98.74 0.00 1.16 0.04 0.00 0.00 0.00 0.00 98.76 0.04 51 R E E 120.52 5.24 19.22 25.57 128.39 -175.72 -130.62 145.90 13.47 86.50 0.03 11.52 1.31 0.12 0.00 0.02 0.00 86.76 0.27 52 G C E 41.53 4.63 14.76 20.86 128.36 30.26 105.75 -174.74 53.52 46.38 0.09 34.32 16.98 1.46 0.01 0.11 0.00 46.68 0.44 53 S C C 84.29 2.56 13.20 17.38 121.45 -133.44 -128.21 138.26 74.08 25.50 0.42 52.91 18.61 2.56 0.08 0.44 0.00 22.98 2.41 54 G C S 55.16 1.61 14.27 16.13 114.32 -22.28 66.16 -139.00 95.55 1.52 2.93 5.40 55.15 35.07 0.12 2.94 0.00 0.94 0.39 55 T C S 105.68 3.42 13.57 18.14 94.79 -20.29 -81.11 -13.50 95.93 0.82 3.25 5.26 47.92 42.47 0.13 3.49 0.00 0.50 0.24 56 T C C 66.76 7.78 15.24 24.12 109.51 64.77 -100.01 90.51 68.44 28.64 2.92 28.23 23.68 18.04 0.19 3.10 0.00 25.59 1.16 57 E E E 38.44 14.57 14.89 30.32 120.65 134.85 -97.13 139.87 40.82 59.00 0.18 36.77 2.07 0.36 0.02 0.13 0.00 60.29 0.36 58 T E E 30.08 11.96 22.17 35.08 129.54 -171.78 -128.34 148.56 6.28 93.71 0.01 5.55 0.42 0.02 0.00 0.00 0.00 93.90 0.11 59 F E E 10.36 22.72 18.97 41.87 123.89 -156.29 -117.59 137.05 0.61 99.39 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 60 T E E 20.07 13.12 25.36 39.50 121.69 -158.77 -114.04 133.17 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 61 I E E 6.54 23.24 20.09 43.79 119.83 -161.58 -112.11 129.72 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 62 R E E 54.30 13.83 22.87 36.84 124.16 -168.21 -115.41 136.60 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 63 K E E 55.75 13.82 19.23 33.33 125.71 -167.17 -117.54 141.35 1.30 98.69 0.00 1.02 0.13 0.00 0.00 0.00 0.00 98.83 0.02 64 M E E 75.32 11.12 15.22 27.24 116.71 -144.30 -102.50 127.42 7.51 92.47 0.03 6.17 1.04 0.08 0.00 0.02 0.00 92.43 0.26 65 S E E 57.73 6.50 13.08 21.08 115.87 174.36 -127.18 113.77 45.51 54.35 0.14 39.64 3.79 0.55 0.03 0.10 0.00 55.08 0.80 66 G C T 61.81 0.83 14.53 14.49 107.20 -51.91 61.35 -119.43 98.78 0.78 0.43 2.35 47.81 48.79 0.03 0.36 0.00 0.53 0.13 67 A C T 90.78 2.41 13.24 16.29 96.76 -14.79 -89.80 -6.15 99.10 0.58 0.32 2.00 48.04 49.18 0.02 0.27 0.00 0.40 0.09 68 I E E 77.29 7.81 14.08 23.47 121.06 80.82 -107.53 135.32 21.40 78.47 0.12 13.81 6.60 1.08 0.02 0.10 0.00 77.93 0.46 69 G E E 20.08 13.72 14.85 29.12 127.88 -168.42 -112.36 153.05 3.37 96.62 0.01 2.94 0.22 0.02 0.00 0.00 0.00 96.76 0.06 70 V E E 34.01 13.34 19.10 33.60 125.32 -159.34 -125.37 137.05 0.51 99.49 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 71 E E E 66.19 15.23 19.04 33.82 123.68 -161.85 -116.27 134.32 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.71 0.00 72 R E E 63.96 14.22 20.85 35.04 129.11 -173.41 -130.73 138.87 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 73 I E E 55.66 14.03 22.01 35.95 118.53 -151.66 -109.32 126.51 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 74 F E E 16.00 20.27 18.49 39.07 123.62 -172.06 -122.25 132.08 0.65 99.35 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.38 0.01 75 P E E 41.26 8.85 23.90 33.72 112.24 -116.38 -67.82 139.11 8.57 91.41 0.02 7.61 0.48 0.08 0.00 0.02 0.00 91.58 0.24 76 V C T 26.74 21.15 15.55 36.21 92.70 -123.76 -63.30 -27.39 96.11 2.94 0.95 6.47 8.36 81.23 0.06 1.00 0.00 2.63 0.26 77 N C T 91.32 6.79 21.86 29.48 94.27 60.46 -87.05 4.50 98.51 0.79 0.69 5.25 9.98 83.14 0.04 0.85 0.00 0.60 0.15 78 L C C 26.83 18.10 12.81 31.31 111.61 124.42 -72.34 129.87 97.77 1.50 0.74 57.58 38.83 1.30 0.15 0.62 0.00 0.62 0.90 79 P C T 87.44 4.45 21.35 26.45 92.85 -126.50 -63.92 -19.91 95.51 0.78 3.71 3.36 10.15 81.95 0.63 3.14 0.01 0.49 0.28 80 A C T 28.32 14.14 17.16 31.83 92.97 59.18 -81.45 -6.44 91.21 4.81 3.98 5.24 7.19 78.92 0.72 3.29 0.01 4.16 0.47 81 L E E 17.48 23.04 11.73 34.47 110.38 109.03 -79.43 121.28 20.48 77.60 1.92 19.39 1.23 0.31 0.78 0.91 0.00 76.20 1.18 82 Q E E 100.68 4.67 21.03 26.52 100.26 177.13 -93.34 -34.07 16.43 82.81 0.76 12.95 2.94 0.34 0.32 0.26 0.00 82.96 0.22 83 K E E 97.02 4.53 23.82 29.17 139.97 -0.84 -153.93 152.30 3.05 96.68 0.27 2.39 0.29 0.08 0.06 0.09 0.00 97.05 0.04 84 I E E 28.22 23.27 12.25 34.80 124.50 -159.60 -129.37 130.23 1.46 98.43 0.11 1.35 0.04 0.01 0.05 0.02 0.00 98.51 0.02 85 E E E 90.24 5.13 24.13 29.49 121.60 -169.33 -120.80 131.60 1.29 98.62 0.09 1.19 0.04 0.01 0.04 0.02 0.00 98.68 0.03 86 I E E 52.55 17.89 13.00 30.32 115.21 -147.59 -98.05 124.89 5.53 94.26 0.21 5.23 0.23 0.07 0.12 0.07 0.00 94.06 0.21 87 N E E 83.40 6.51 17.30 24.75 104.93 -167.84 -100.33 -6.21 34.40 64.93 0.67 28.90 4.27 0.84 0.26 0.37 0.00 64.68 0.68 88 K C C 119.79 5.15 15.34 22.04 127.51 33.67 -128.59 145.24 57.18 41.25 1.57 43.18 11.34 2.12 0.57 0.93 0.00 40.86 0.99 89 K C C 132.75 6.10 12.76 20.95 118.08 -146.53 -101.49 135.81 76.15 21.46 2.40 58.97 12.47 4.09 0.83 1.46 0.00 20.56 1.62 90 G C C 34.15 7.69 12.42 21.34 130.88 161.51 -139.80 176.91 86.42 10.51 3.07 60.49 20.85 5.14 1.34 1.67 0.00 9.06 1.46 91 A C C 82.34 2.73 16.18 19.66 115.89 -79.80 -92.71 136.04 85.50 10.53 3.97 70.88 11.70 2.79 2.46 1.58 0.00 8.27 2.33 92 V C C 63.54 13.57 9.52 22.87 117.30 -149.87 -99.22 133.50 83.80 9.88 6.32 75.40 6.14 2.18 4.64 1.84 0.00 6.94 2.86 93 R C C 138.76 4.57 14.77 20.71 114.81 -154.76 -100.01 134.18 85.49 7.21 7.29 76.14 6.66 2.68 5.13 2.27 0.00 5.10 2.02 94 R C C 141.53 6.92 13.43 21.52 100.67 -126.55 -74.37 -17.59 65.15 6.73 28.13 49.59 9.31 6.30 17.38 11.00 0.01 4.86 1.55 95 A C C 57.18 8.26 12.98 22.22 108.88 68.95 -82.29 122.40 61.57 7.26 31.18 38.92 13.80 8.94 18.42 12.97 0.03 5.72 1.18 96 R C C 126.68 6.78 15.55 23.10 105.16 -130.53 -90.12 57.52 54.99 12.70 32.31 39.71 8.62 6.89 19.42 13.08 0.04 10.63 1.62 97 I C C 51.86 14.18 12.42 26.78 107.45 86.83 -88.55 91.68 47.91 19.16 32.94 40.87 4.39 3.06 24.81 8.10 0.02 16.74 2.00 98 F H H 101.92 7.46 16.65 24.84 96.94 -167.52 -73.95 -29.70 32.43 18.23 49.33 20.26 5.36 7.37 30.94 18.11 0.05 16.79 1.12 99 Y H H 102.20 8.16 16.34 25.24 96.31 56.18 -75.95 -27.58 30.33 20.07 49.59 15.40 5.74 10.27 28.31 21.00 0.17 17.92 1.20 100 F H H 60.30 14.18 12.70 27.04 98.73 58.34 -87.93 -2.72 28.61 16.59 54.80 17.56 4.90 7.03 27.85 26.96 0.06 14.58 1.05 101 R H H 121.96 7.77 14.83 23.79 94.34 91.48 -65.85 -33.04 41.10 12.05 46.86 12.42 7.36 20.99 25.39 21.99 0.33 10.18 1.35 102 E C T 132.35 2.77 16.92 19.83 97.04 50.72 -87.49 -3.42 54.24 6.68 39.08 15.17 10.06 28.21 20.61 19.07 0.18 5.63 1.07 103 L C C 52.26 13.64 10.02 23.81 107.47 112.10 -80.81 105.72 71.16 4.36 24.48 50.76 12.11 7.93 17.80 7.15 0.01 2.95 1.27 104 T C C 79.88 5.62 14.74 21.40 112.29 99.75 -96.78 120.74 68.90 3.93 27.16 38.81 13.39 16.02 23.47 4.66 0.03 2.20 1.43 105 G C H 39.09 4.71 15.32 21.01 109.81 20.06 66.55 -123.71 61.63 1.64 36.73 19.37 20.29 22.51 30.42 5.83 0.07 0.79 0.73 106 K H H 124.89 4.43 14.46 20.02 94.85 24.26 -67.49 -35.95 34.70 1.45 63.86 14.60 9.35 12.61 53.37 8.63 0.10 0.87 0.48 107 K H H 116.70 4.69 14.92 20.69 93.36 55.08 -66.94 -36.50 28.07 2.67 69.27 14.41 5.96 9.58 57.95 9.41 0.09 1.98 0.63 108 A H H 40.98 6.58 13.23 21.77 94.84 55.50 -67.73 -36.51 27.18 3.45 69.36 17.03 5.01 6.89 59.21 8.43 0.05 2.71 0.67 109 K H H 103.35 4.76 15.70 21.35 96.33 56.20 -69.50 -35.65 30.08 5.19 64.73 20.15 5.24 6.65 56.78 6.13 0.04 4.06 0.94 110 I H H 70.91 7.07 12.87 21.55 96.61 57.03 -69.95 -38.25 29.02 5.08 65.90 20.27 5.09 5.64 59.62 4.57 0.04 3.88 0.89 111 K H H 114.25 4.29 13.49 18.96 95.88 56.81 -69.63 -35.05 30.76 3.97 65.27 20.54 5.06 6.80 58.47 5.37 0.03 2.97 0.76 112 D H H 88.64 3.65 11.70 16.70 97.08 58.45 -72.38 -28.75 35.81 2.79 61.40 20.16 6.40 10.48 52.98 7.34 0.05 1.91 0.69 113 K H H 135.90 2.99 10.72 15.13 97.26 59.71 -74.67 -23.79 44.40 2.61 52.99 22.84 7.96 14.65 44.98 7.07 0.06 1.61 0.82 114 L C C 106.81 4.38 9.07 15.07 102.12 63.71 -83.47 -0.40 62.52 1.81 35.67 42.86 2.22 16.93 32.02 4.14 0.00 1.02 0.80 115 R C C 158.53 3.36 11.49 16.51 105.52 89.51 -83.31 78.21 99.80 0.07 0.13 99.58 0.11 0.16 0.10 0.01 0.00 0.03 0.01