# 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 C C C 45.30 15.08 13.47 28.13 111.92 -142.70 -94.16 131.63 99.43 0.46 0.10 99.18 0.22 0.20 0.03 0.02 0.00 0.26 0.08 1 S C C 71.29 4.96 14.37 20.55 113.19 -149.65 -93.81 139.76 88.73 5.87 5.40 69.27 5.92 13.76 1.48 3.43 0.00 4.30 1.84 2 T C C 96.97 3.55 13.52 18.29 107.72 -91.56 -93.81 66.57 84.70 8.12 7.18 43.81 24.08 17.64 1.98 4.90 0.01 5.31 2.27 3 L C C 73.32 12.29 9.48 21.79 114.06 113.05 -93.66 125.55 79.40 8.77 11.83 51.24 18.34 9.91 3.50 8.40 0.01 6.03 2.57 4 E C C 125.05 4.35 15.24 20.92 109.99 -161.47 -91.36 112.54 78.82 8.60 12.58 43.63 22.88 13.21 3.65 8.47 0.01 6.41 1.73 5 R C C 121.10 8.51 15.95 25.14 117.70 -122.57 -102.30 131.02 69.90 17.63 12.47 42.70 16.57 11.59 3.71 8.45 0.03 14.52 2.45 6 V C C 52.49 14.55 15.02 29.63 116.70 -156.80 -100.28 128.44 64.48 29.89 5.63 52.92 7.54 3.10 2.65 3.15 0.01 25.61 5.04 7 V C C 51.05 13.04 17.12 30.62 115.68 -164.55 -101.85 125.90 63.87 32.94 3.19 47.20 12.27 3.96 1.51 1.97 0.02 28.03 5.04 8 Y C C 94.10 12.43 16.78 29.36 119.63 -156.61 -109.49 132.16 71.71 26.30 1.99 50.96 17.34 3.40 0.89 1.34 0.01 20.38 5.67 9 R C C 100.89 11.01 16.30 27.87 118.19 -161.67 -115.60 125.52 91.45 7.64 0.91 77.33 13.07 1.22 0.37 0.53 0.00 5.96 1.53 10 P C C 62.11 11.69 13.96 26.20 108.10 -123.30 -68.60 145.59 87.27 3.29 9.44 56.58 11.64 19.03 2.24 7.32 0.00 2.34 0.86 11 D C C 104.08 4.09 17.67 22.51 103.32 -104.12 -85.40 60.25 84.55 4.55 10.90 51.40 12.61 20.66 2.79 8.11 0.00 2.87 1.55 12 I C C 54.16 15.14 11.39 26.28 114.70 136.60 -100.46 120.12 79.60 7.58 12.83 56.53 13.20 9.81 4.66 8.18 0.01 4.62 3.00 13 N C C 103.08 5.68 17.33 24.12 103.49 -173.68 -99.37 25.47 83.81 7.01 9.19 51.38 17.72 15.27 3.09 5.79 0.01 4.47 2.26 14 Q C C 90.63 9.21 16.84 26.66 118.53 103.62 -113.24 136.97 82.34 9.22 8.44 40.92 23.84 18.72 2.47 5.54 0.02 5.57 2.92 15 G C C 27.45 11.43 17.44 29.01 123.00 -22.49 102.79 -172.68 85.38 10.00 4.62 43.47 25.50 17.19 0.88 3.79 0.00 7.33 1.83 16 N C C 69.83 13.25 19.78 32.40 108.64 -76.93 -97.11 80.62 72.66 22.00 5.34 41.93 21.08 10.91 1.17 4.38 0.01 17.52 2.99 17 Y C C 78.31 14.37 22.27 35.90 119.41 111.63 -104.35 139.16 58.48 37.96 3.56 40.21 14.04 3.82 1.70 2.29 0.03 28.67 9.26 18 L C C 10.23 24.37 15.90 40.37 113.98 -125.26 -88.88 131.08 68.32 30.36 1.32 60.75 5.89 0.84 0.87 0.55 0.00 22.39 8.69 19 T C C 47.05 7.80 24.68 32.65 128.89 -163.64 -107.62 162.85 94.60 4.39 1.01 92.20 2.65 0.35 0.85 0.17 0.00 2.82 0.97 20 A H H 45.93 14.44 14.98 29.44 91.29 -106.87 -58.66 -36.63 13.03 0.20 86.78 1.85 1.73 8.86 73.61 13.66 0.10 0.11 0.08 21 N H H 114.91 1.69 21.37 22.13 91.41 56.48 -65.94 -32.48 11.69 0.14 88.17 1.37 1.19 8.37 73.46 15.41 0.07 0.09 0.05 22 D H H 31.72 15.77 17.07 32.68 93.99 50.62 -73.32 -31.00 8.45 0.22 91.33 1.92 1.13 4.94 74.11 17.66 0.03 0.14 0.07 23 V H H 6.80 25.50 13.54 38.77 92.57 59.10 -65.13 -35.98 10.23 0.31 89.45 2.33 1.37 6.23 73.10 16.63 0.06 0.20 0.10 24 S H H 69.00 5.81 20.90 27.61 90.51 63.42 -67.83 -20.41 46.45 0.37 53.18 2.56 2.61 40.34 40.70 13.23 0.11 0.20 0.25 25 K C T 116.32 5.63 22.06 28.33 93.43 59.36 -88.96 -7.42 68.14 0.33 31.54 4.50 4.11 59.12 21.25 10.61 0.02 0.18 0.23 26 I C C 5.67 26.72 9.66 36.24 114.88 105.08 -78.01 132.53 96.41 2.89 0.70 79.82 15.58 0.52 0.51 0.20 0.00 0.86 2.51 27 R C C 131.24 4.08 23.90 28.60 127.91 -169.76 -122.57 148.05 90.52 9.27 0.20 90.28 0.78 0.14 0.10 0.04 0.00 2.67 5.98 28 V C T 87.01 11.60 15.78 27.63 110.75 -95.15 -62.92 135.07 97.09 2.59 0.32 1.47 3.24 93.15 0.06 0.15 0.00 1.49 0.44 29 G C T 47.44 3.67 20.18 24.56 95.80 25.73 89.22 -6.50 99.43 0.49 0.08 1.10 3.24 95.12 0.02 0.05 0.00 0.45 0.02 30 M C C 31.82 16.59 13.14 30.45 117.61 133.11 -72.62 144.83 98.79 1.19 0.02 87.21 11.69 0.07 0.01 0.01 0.00 0.63 0.38 31 T E B 56.34 5.25 23.67 28.87 121.43 -119.88 -79.30 160.43 34.21 65.64 0.16 29.75 0.32 0.01 0.14 0.00 0.00 3.90 65.88 32 Q H H 49.62 19.64 14.70 33.59 91.44 -110.32 -58.01 -39.54 0.86 0.00 99.13 0.18 0.10 0.48 99.05 0.19 0.00 0.00 0.00 33 Q H H 111.05 4.49 21.72 26.85 91.48 53.33 -63.13 -40.78 0.28 0.00 99.72 0.03 0.02 0.18 99.63 0.14 0.00 0.00 0.00 34 Q H H 76.49 7.16 22.61 30.07 91.86 48.33 -65.73 -41.09 0.13 0.00 99.87 0.02 0.01 0.08 99.72 0.17 0.00 0.00 0.00 35 V H H 1.93 26.11 16.43 43.26 91.40 49.62 -64.05 -43.76 0.11 0.01 99.88 0.01 0.01 0.07 99.85 0.05 0.00 0.00 0.00 36 A H H 18.56 18.29 19.02 36.82 91.43 51.82 -62.42 -41.11 0.14 0.01 99.86 0.01 0.01 0.10 99.83 0.04 0.00 0.00 0.00 37 Y H H 145.58 3.42 24.21 27.41 92.27 50.43 -65.45 -38.30 0.31 0.00 99.69 0.01 0.01 0.28 99.63 0.07 0.00 0.00 0.00 38 A H H 29.52 15.19 20.74 35.39 95.01 45.09 -73.94 -38.54 1.33 0.00 98.67 0.02 0.04 1.30 98.55 0.09 0.00 0.00 0.00 39 L H H 7.21 23.76 16.67 40.78 97.45 32.30 -94.15 -18.07 7.12 0.04 92.83 0.34 0.85 5.87 92.75 0.14 0.02 0.01 0.03 40 G C C 22.49 6.57 22.42 30.26 126.14 -127.03 89.25 -168.22 98.92 0.82 0.26 45.88 45.37 7.78 0.14 0.11 0.00 0.35 0.38 41 T C S 87.51 5.21 22.34 28.27 115.20 -26.34 -80.30 133.39 97.79 2.16 0.04 42.59 55.41 0.34 0.01 0.03 0.00 1.09 0.54 42 P C C 27.54 21.44 12.31 33.10 116.02 -114.37 -65.96 146.33 94.32 5.52 0.16 93.24 1.42 0.28 0.03 0.11 0.00 3.84 1.10 43 L C S 83.69 7.87 20.52 29.16 95.61 -141.27 -77.74 -27.54 90.60 9.34 0.06 16.72 72.44 1.44 0.00 0.06 0.00 8.89 0.44 44 M E E 71.50 9.82 20.10 30.61 138.34 8.83 -148.37 151.53 15.77 84.09 0.14 10.17 5.75 0.93 0.03 0.14 0.00 79.02 3.97 45 S E E 54.22 13.44 16.09 29.68 130.53 -166.07 -133.50 145.41 22.47 77.38 0.15 18.88 3.06 0.37 0.05 0.12 0.00 72.80 4.71 46 D C C 46.23 12.91 14.43 28.03 110.92 -142.40 -101.77 113.20 82.49 17.40 0.11 78.18 3.17 0.39 0.02 0.09 0.00 16.95 1.20 47 P C T 81.77 7.09 15.42 24.07 93.65 -159.72 -67.62 -18.54 95.73 1.92 2.35 7.61 26.56 61.15 0.10 2.73 0.00 1.52 0.33 48 F C T 111.28 7.89 14.35 23.07 97.66 55.92 -88.68 0.77 94.58 2.53 2.89 4.80 26.85 62.83 0.14 3.05 0.00 1.74 0.60 49 G C S 43.59 5.19 16.45 22.56 103.97 -91.17 87.83 6.49 84.10 12.74 3.16 31.86 38.54 13.95 0.35 3.45 0.01 8.74 3.10 50 T C T 59.22 9.12 15.49 25.54 117.76 120.28 -98.30 145.87 87.11 11.13 1.76 21.49 29.38 36.98 0.16 1.80 0.00 8.76 1.42 51 N C T 75.19 10.73 18.50 29.52 99.80 -116.35 -87.92 35.44 82.15 16.91 0.94 17.65 29.58 34.70 0.05 1.05 0.00 16.27 0.68 52 T E E 23.03 14.77 19.31 35.10 126.93 117.49 -116.71 144.85 27.92 72.00 0.08 22.06 5.66 0.43 0.01 0.08 0.00 71.04 0.72 53 W E E 19.05 20.27 20.55 40.89 121.98 -146.18 -106.55 137.33 2.30 97.70 0.00 2.13 0.08 0.00 0.00 0.00 0.00 97.68 0.11 54 F E E 23.60 17.40 24.52 41.79 123.52 -160.16 -115.77 136.67 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 55 Y E E 10.50 22.82 22.03 44.58 122.25 -161.56 -115.14 133.67 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 56 V E E 15.76 16.98 24.83 42.06 121.03 -159.41 -112.73 130.11 0.51 99.49 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 57 F E E 16.33 20.80 20.73 41.32 129.26 -172.94 -123.35 146.08 1.06 98.94 0.00 0.94 0.05 0.00 0.00 0.00 0.00 98.98 0.03 58 R E E 64.97 13.38 22.61 35.99 122.53 -159.13 -116.39 135.86 5.00 94.98 0.02 4.47 0.36 0.04 0.00 0.01 0.00 94.90 0.22 59 Q E E 47.85 15.25 16.87 32.24 120.18 -158.76 -107.35 136.64 36.25 63.62 0.13 29.36 5.95 0.55 0.03 0.11 0.00 63.07 0.94 60 Q C C 83.97 8.07 16.58 25.73 116.93 -137.64 -100.96 126.96 86.66 13.07 0.27 74.12 10.36 1.35 0.05 0.25 0.00 12.89 0.98 61 P C T 84.08 6.88 12.65 20.93 110.43 -105.31 -63.86 139.48 92.32 3.21 4.46 14.95 15.94 61.09 0.47 4.37 0.00 2.49 0.68 62 G C T 60.17 1.55 13.73 15.38 100.79 20.14 85.43 -4.48 93.06 1.95 4.99 13.83 17.56 61.29 0.58 4.80 0.00 1.36 0.58 63 H C C 104.31 7.37 9.12 17.76 115.74 98.79 -97.07 135.54 85.16 6.04 8.80 35.69 31.28 18.53 1.28 7.62 0.01 3.17 2.42 64 E C T 151.72 1.71 13.26 15.65 109.66 -129.13 -85.08 120.45 89.37 4.05 6.58 20.83 33.00 36.06 0.88 5.55 0.00 2.64 1.05 65 G C S 40.95 4.32 15.66 20.78 122.48 11.68 110.87 -175.23 84.95 10.63 4.42 25.75 31.04 29.22 0.50 3.93 0.01 8.23 1.32 66 V C C 58.05 13.85 11.86 25.77 118.34 -90.73 -96.14 135.40 64.68 34.37 0.95 55.27 6.09 1.69 0.20 0.78 0.00 34.30 1.68 67 T E E 48.60 9.66 18.26 29.13 122.91 -163.78 -114.00 140.16 28.78 70.96 0.26 24.58 3.14 0.65 0.06 0.20 0.00 70.49 0.88 68 Q E E 80.09 13.57 17.58 30.95 125.60 -154.05 -117.84 138.93 10.42 89.45 0.14 8.10 1.69 0.38 0.03 0.09 0.00 89.53 0.18 69 Q E E 37.25 15.08 18.61 34.24 131.32 -175.26 -133.47 147.30 2.76 97.16 0.08 2.33 0.35 0.12 0.02 0.05 0.00 97.07 0.06 70 T E E 41.37 12.13 22.35 35.03 121.24 -142.38 -105.89 134.65 1.14 98.83 0.03 1.07 0.08 0.02 0.01 0.02 0.00 98.77 0.03 71 L E E 7.19 23.08 18.43 41.69 126.80 -171.07 -122.90 141.51 0.51 99.48 0.01 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 72 T E E 29.21 11.14 26.31 38.58 118.95 -150.08 -108.14 129.46 0.27 99.73 0.01 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 73 L E E 2.69 26.02 18.73 45.83 118.85 -162.63 -109.66 128.26 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 74 T E E 32.68 9.93 26.89 37.96 119.41 -162.94 -111.94 130.34 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 75 F E E 15.26 22.49 14.53 37.07 123.27 -162.05 -110.97 139.11 0.75 99.25 0.00 0.71 0.03 0.00 0.00 0.00 0.00 98.99 0.27 76 N C C 56.81 6.29 18.65 25.91 125.13 -131.56 -83.09 176.52 93.01 6.95 0.04 92.98 0.45 0.09 0.01 0.02 0.00 6.08 0.38 77 S C T 94.65 2.39 14.62 18.57 90.30 -89.94 -64.93 -20.92 98.16 0.43 1.41 0.44 3.41 94.47 0.04 1.29 0.00 0.28 0.06 78 S C T 81.87 1.77 17.98 19.06 91.99 57.18 -87.49 -1.16 98.51 0.08 1.41 0.24 2.84 95.54 0.04 1.28 0.00 0.04 0.02 79 G C S 13.65 16.17 14.34 30.91 96.67 -105.44 85.86 7.97 98.57 0.47 0.96 18.17 76.69 3.78 0.07 0.86 0.00 0.26 0.17 80 V C C 47.29 8.68 22.24 32.24 117.28 140.88 -86.37 137.09 64.78 35.09 0.13 62.52 3.35 0.12 0.08 0.05 0.00 15.92 17.95 81 L E E 13.95 23.30 13.95 37.79 109.11 -115.03 -73.29 125.95 0.73 99.26 0.00 0.71 0.02 0.00 0.00 0.00 0.00 98.79 0.47 82 T E E 62.49 7.35 22.66 30.50 102.09 173.91 -102.45 -27.87 1.22 98.78 0.00 0.84 0.20 0.01 0.00 0.00 0.00 98.94 0.01 83 N E E 68.34 6.97 24.36 32.00 137.73 2.30 -155.59 145.23 0.53 99.47 0.00 0.36 0.05 0.01 0.00 0.00 0.00 99.58 0.00 84 I E E 33.48 22.68 13.59 35.30 123.65 -167.73 -128.16 129.05 0.63 99.37 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.42 0.01 85 D E E 65.86 6.80 23.70 30.76 122.95 -171.99 -121.05 134.38 2.77 97.22 0.01 2.21 0.34 0.02 0.00 0.00 0.00 97.38 0.05 86 N E E 60.89 17.29 15.11 31.19 118.75 -165.60 -114.15 125.87 17.22 82.74 0.03 14.36 2.28 0.12 0.00 0.02 0.00 82.88 0.33 87 K C C 97.31 7.87 20.25 28.86 120.65 -174.02 -118.64 128.72 60.07 39.77 0.16 53.49 4.52 0.32 0.03 0.13 0.00 40.85 0.66 88 P C C 57.61 12.15 16.54 28.92 115.60 -115.69 -68.01 151.39 69.32 28.76 1.93 56.61 8.02 3.78 0.35 1.65 0.00 28.14 1.46 89 A C C 52.06 10.94 16.41 27.60 111.93 -116.11 -81.11 133.17 71.77 24.52 3.70 53.34 11.84 6.25 0.83 3.30 0.01 20.13 4.31 90 L C C 71.17 12.57 12.86 25.56 116.26 -146.79 -97.78 130.04 67.21 29.20 3.59 50.01 11.07 5.08 1.14 2.93 0.01 22.28 7.48 91 S C C 72.78 5.00 13.92 20.59 118.00 -168.44 -108.98 139.97 80.57 15.70 3.73 53.12 16.62 10.98 0.93 3.04 0.01 12.53 2.76 92 G C C 50.32 4.34 13.22 19.06 113.57 -0.43 81.68 134.10 87.45 5.90 6.65 38.01 29.17 20.87 1.33 5.25 0.01 3.89 1.46 93 N C C 102.31 5.11 11.76 18.48 112.62 -94.44 -93.24 125.86 85.65 4.46 9.89 46.61 22.19 17.07 2.33 7.58 0.01 2.74 1.49 94 K C C 130.15 5.00 12.18 18.80 110.37 -149.75 -90.04 119.40 80.52 5.52 13.96 50.81 15.15 14.42 3.61 10.65 0.01 3.47 1.90 95 L C C 94.22 7.75 10.51 19.38 110.58 -159.44 -89.33 117.90 79.00 4.72 16.28 50.05 14.88 13.99 4.25 12.23 0.01 3.02 1.57 96 H C C 122.53 5.01 11.36 17.86 108.95 103.90 -94.01 100.74 79.63 4.53 15.84 52.79 14.30 12.33 4.42 11.71 0.01 2.90 1.54 97 H C C 119.71 5.34 10.33 17.25 110.23 122.03 -93.44 109.81 80.31 4.16 15.53 55.05 13.68 11.31 4.38 11.47 0.00 2.65 1.46 98 H C C 126.03 4.55 9.74 15.92 107.99 94.52 -89.63 89.55 81.60 3.98 14.42 54.24 13.77 13.31 3.74 11.02 0.00 2.55 1.37 99 H C C 128.57 4.18 8.98 14.85 108.40 108.48 -89.81 83.38 83.78 4.08 12.14 55.88 13.39 14.15 2.97 9.56 0.00 2.69 1.36 100 H C C 131.73 3.81 8.37 13.95 108.89 125.49 -92.35 95.96 89.78 3.33 6.89 76.83 3.76 9.59 2.03 4.32 0.00 2.24 1.24 101 H C C 136.68 3.72 10.92 16.35 107.46 -146.59 -90.81 88.26 99.70 0.16 0.14 99.29 0.26 0.25 0.04 0.04 0.00 0.09 0.03