# 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 Q C C 108.67 5.38 15.54 22.19 117.21 -156.97 -96.02 138.99 99.67 0.23 0.09 99.57 0.14 0.08 0.05 0.01 0.00 0.12 0.03 1 A C C 56.36 7.19 12.27 20.85 115.48 -117.97 -78.74 147.59 75.98 5.32 18.71 69.96 1.55 5.01 14.80 3.35 0.00 3.17 2.16 2 L C C 80.14 9.29 11.15 21.39 99.54 -115.89 -71.81 -30.13 59.89 3.19 36.92 37.14 10.29 12.93 24.90 11.60 0.03 1.82 1.30 3 S C C 62.36 5.85 13.07 20.11 97.20 59.95 -70.64 -33.71 56.81 2.15 41.04 30.43 11.77 15.19 26.54 13.93 0.04 1.13 0.96 4 N C C 99.75 4.43 14.33 19.87 97.15 53.64 -76.46 -21.27 56.51 1.55 41.94 28.13 14.14 15.01 27.66 13.53 0.04 0.72 0.77 5 E C C 96.54 8.86 12.97 22.62 97.79 71.47 -75.36 -21.76 59.11 1.53 39.36 29.86 15.87 14.40 28.02 10.36 0.04 0.69 0.77 6 K C C 114.68 7.73 15.13 23.74 99.38 70.98 -77.61 -12.51 65.54 2.46 31.99 33.88 15.28 16.77 21.67 10.04 0.04 1.28 1.04 7 K C C 119.55 6.14 18.81 25.58 100.47 90.12 -83.70 -2.27 70.34 6.55 23.11 39.81 14.67 16.35 13.79 9.14 0.07 4.16 2.02 8 A C C 19.00 20.37 12.52 31.84 115.02 94.38 -81.50 138.93 73.90 19.80 6.30 59.93 8.35 5.05 2.65 3.10 0.00 19.26 1.65 9 K C E 95.38 9.71 21.05 30.69 106.50 -157.84 -91.24 10.08 50.84 47.84 1.32 35.69 13.39 2.21 0.41 0.78 0.00 46.61 0.90 10 K E E 96.72 9.70 21.95 31.60 124.38 -49.45 -115.73 134.98 11.07 88.64 0.29 8.51 2.41 0.39 0.07 0.18 0.00 88.18 0.26 11 V E E 11.41 22.90 15.80 38.61 126.52 -169.37 -123.41 139.00 2.51 97.48 0.01 2.27 0.10 0.01 0.00 0.01 0.00 97.56 0.05 12 R E E 84.09 10.27 25.42 35.91 119.97 -154.13 -108.11 131.81 0.65 99.35 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.02 13 F E E 14.76 22.75 18.37 40.95 122.54 -163.07 -113.57 135.12 1.41 98.58 0.01 1.29 0.06 0.01 0.00 0.00 0.00 98.57 0.07 14 Y E E 49.48 12.64 20.69 34.26 125.28 -167.49 -119.14 139.30 17.99 81.97 0.04 16.73 0.94 0.06 0.01 0.02 0.00 81.58 0.66 15 R C C 86.34 11.54 17.92 29.89 115.78 -125.07 -94.95 137.67 70.55 29.14 0.32 61.69 6.65 1.05 0.07 0.31 0.00 28.46 1.78 16 N C T 87.92 10.11 14.77 25.38 105.69 -90.55 -59.82 123.36 97.32 1.72 0.97 3.51 13.89 79.78 0.05 1.12 0.00 1.35 0.30 17 G C T 55.85 2.82 15.78 19.03 96.55 15.23 85.93 -2.49 98.90 0.49 0.61 3.66 16.89 78.11 0.02 0.85 0.00 0.36 0.10 18 D C C 55.50 8.94 9.84 20.59 111.95 122.64 -86.55 123.98 92.54 7.15 0.31 81.01 10.85 0.69 0.09 0.26 0.00 3.54 3.57 19 R C T 177.57 2.25 13.23 17.06 93.20 -154.19 -70.34 -19.57 92.14 3.65 4.21 4.38 26.42 61.65 0.31 3.91 0.00 2.47 0.85 20 Y C T 151.46 3.88 14.89 19.63 94.90 58.30 -86.89 -8.05 89.36 7.00 3.65 4.56 26.52 58.79 0.24 3.48 0.01 5.32 1.08 21 F C C 53.24 15.34 10.58 26.05 117.48 87.35 -94.30 131.81 66.28 30.73 2.99 39.15 22.68 5.41 0.55 2.81 0.01 22.12 7.25 22 K C C 127.62 4.33 21.47 26.45 115.50 -150.17 -95.29 131.93 72.84 26.56 0.60 61.58 7.68 2.48 0.13 0.49 0.00 26.42 1.23 23 G C E 15.22 18.95 14.73 32.64 125.19 -129.77 -85.61 166.09 52.72 47.16 0.11 32.48 17.55 1.30 0.02 0.10 0.00 48.14 0.42 24 I E E 35.52 14.28 21.33 36.29 123.73 -119.32 -117.33 136.11 2.42 97.58 0.00 2.34 0.09 0.00 0.00 0.00 0.00 97.46 0.11 25 V E E 50.07 15.51 21.20 36.28 119.36 -149.66 -107.19 129.47 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 26 Y E E 23.63 19.40 20.40 39.66 126.66 -173.40 -124.52 140.14 0.57 99.43 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 27 A E E 31.05 13.65 24.99 38.62 118.99 -146.62 -101.39 133.06 0.93 99.07 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.12 0.02 28 V E E 6.50 23.22 17.42 40.96 126.68 -172.41 -123.63 140.87 5.58 94.41 0.01 5.38 0.21 0.01 0.00 0.00 0.00 93.90 0.49 29 S C C 29.14 7.85 22.74 31.67 118.23 -119.23 -76.80 151.32 72.56 27.35 0.10 69.47 2.21 0.13 0.02 0.06 0.00 27.36 0.74 30 S C T 44.98 15.09 13.90 29.07 91.19 -117.24 -60.77 -28.16 53.42 0.44 46.15 2.34 6.47 44.11 3.51 43.11 0.01 0.26 0.19 31 D C T 117.51 1.38 20.13 20.49 91.25 61.80 -74.28 -17.52 53.71 0.22 46.07 1.21 4.60 47.29 3.28 43.38 0.00 0.12 0.12 32 R H G 94.82 11.00 17.00 28.28 97.44 50.98 -89.60 -21.43 49.58 0.82 49.59 4.42 6.84 37.71 3.85 46.35 0.01 0.49 0.34 33 F C C 19.55 21.73 10.27 31.11 121.76 52.15 -120.56 131.35 81.23 12.58 6.19 69.01 7.71 3.59 3.22 2.82 0.00 4.99 8.66 34 R C S 160.64 2.67 20.53 23.58 97.63 -151.65 -89.83 -24.72 98.24 0.93 0.83 24.95 71.27 2.22 0.40 0.32 0.00 0.43 0.42 35 S C S 44.47 4.58 23.39 28.03 139.46 8.02 -149.92 162.99 94.36 4.97 0.67 12.72 81.45 0.42 0.52 0.07 0.00 0.57 4.24 36 F H H 38.16 21.20 14.07 34.78 91.14 -104.77 -60.35 -37.62 1.19 0.00 98.81 0.09 0.16 0.83 98.45 0.46 0.00 0.00 0.00 37 D H H 93.53 4.81 21.28 27.09 91.48 55.99 -62.99 -40.03 0.61 0.00 99.39 0.06 0.03 0.44 98.94 0.53 0.00 0.00 0.00 38 A H H 37.44 5.34 21.33 27.60 91.49 50.31 -64.59 -41.05 0.20 0.00 99.80 0.03 0.01 0.12 99.38 0.46 0.00 0.00 0.00 39 L H H 7.33 22.03 17.52 39.79 91.29 50.35 -63.33 -44.07 0.11 0.00 99.89 0.02 0.01 0.05 99.87 0.05 0.00 0.00 0.00 40 L H H 22.27 19.41 20.27 39.07 91.55 49.55 -63.38 -42.27 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 41 A H H 49.90 4.04 23.90 27.70 91.38 50.49 -63.27 -42.25 0.13 0.00 99.87 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 42 D H H 49.46 8.57 22.38 31.64 91.95 48.76 -65.31 -41.14 0.38 0.00 99.62 0.02 0.02 0.30 99.60 0.06 0.00 0.00 0.00 43 L H H 6.37 23.25 17.06 40.42 91.60 50.00 -64.36 -42.74 0.80 0.00 99.20 0.11 0.05 0.54 99.09 0.21 0.00 0.00 0.00 44 T H H 42.11 14.16 18.29 32.34 92.07 50.34 -65.18 -39.61 1.69 0.01 98.30 0.23 0.12 1.19 97.88 0.57 0.00 0.00 0.00 45 R H H 158.64 1.65 21.56 22.05 92.42 49.27 -66.74 -38.99 4.19 0.02 95.79 0.27 0.26 3.60 94.81 1.03 0.01 0.01 0.01 46 S H H 50.73 7.72 18.10 26.59 95.84 42.17 -79.02 -32.50 10.56 0.05 89.38 0.49 0.69 9.43 88.21 1.10 0.04 0.02 0.03 47 L H H 21.30 19.28 12.10 30.98 100.14 38.01 -99.43 -4.31 36.44 0.78 62.78 6.41 6.59 25.10 58.29 2.57 0.23 0.28 0.54 48 S C T 55.93 10.64 13.00 24.33 93.36 95.28 -62.11 -32.25 59.54 1.59 38.86 16.00 5.43 37.88 19.35 19.38 0.04 0.87 1.05 49 D C T 127.19 0.79 16.97 16.12 93.26 52.51 -76.82 -15.79 68.79 0.43 30.78 3.07 6.31 59.61 10.41 19.98 0.02 0.24 0.37 50 N C T 91.67 6.53 15.48 23.00 101.63 38.24 -104.07 -9.69 70.99 0.70 28.31 7.25 10.66 53.29 8.70 19.18 0.02 0.39 0.51 51 I C C 26.70 20.35 10.70 30.11 127.23 49.29 -126.91 142.09 82.51 14.32 3.17 48.88 30.29 3.81 1.71 1.44 0.01 6.20 7.65 52 N C C 110.48 2.83 22.55 25.34 108.05 -145.95 -92.81 110.04 88.42 10.95 0.62 81.87 4.30 1.98 0.20 0.40 0.00 7.59 3.67 53 L C C 26.43 21.98 10.46 31.24 112.81 -172.40 -102.21 115.10 93.85 5.01 1.14 86.29 5.88 1.55 0.31 0.82 0.00 3.11 2.05 54 P C T 81.11 5.19 19.83 25.71 95.42 -155.57 -67.03 -27.57 90.50 2.24 7.26 29.20 22.22 38.51 0.67 7.37 0.00 1.37 0.67 55 Q C T 105.24 5.70 20.82 26.98 110.86 18.09 -114.29 29.30 84.61 5.09 10.30 12.65 28.14 44.46 0.83 9.31 0.01 3.46 1.15 56 G C C 14.35 14.93 19.37 34.08 126.11 -113.43 99.35 176.94 80.77 11.95 7.28 47.60 20.34 12.57 0.69 7.45 0.00 9.63 1.72 57 V E E 12.59 23.19 15.99 39.27 115.36 -78.27 -92.82 128.49 41.56 57.63 0.81 38.49 2.26 0.50 0.30 0.51 0.00 54.48 3.45 58 R E E 105.49 9.03 23.94 33.35 101.47 177.26 -98.47 -28.87 38.31 61.43 0.26 27.04 11.90 0.67 0.05 0.20 0.00 59.43 0.70 59 Y E E 63.38 11.83 25.46 37.73 137.53 9.08 -146.60 148.67 8.96 90.89 0.15 7.30 1.45 0.19 0.02 0.10 0.00 90.73 0.21 60 I E E 9.22 24.23 19.75 44.15 120.31 -153.71 -115.94 128.02 2.48 97.48 0.04 2.19 0.18 0.03 0.01 0.02 0.00 97.49 0.08 61 Y E E 28.95 14.17 23.93 38.71 132.68 -176.05 -129.30 153.07 0.87 99.12 0.01 0.85 0.04 0.00 0.01 0.00 0.00 98.03 1.07 62 T E E 17.01 14.81 20.59 36.18 120.94 -112.74 -77.08 159.65 30.78 69.18 0.04 29.69 0.90 0.10 0.01 0.03 0.00 68.30 0.97 63 I C T 39.28 19.52 16.11 35.42 91.66 -108.79 -63.30 -27.05 98.28 1.13 0.59 0.93 10.39 87.02 0.02 0.60 0.00 0.95 0.11 64 D C T 87.29 5.06 20.20 25.47 93.76 55.55 -87.72 -0.63 98.42 0.77 0.80 0.81 10.14 87.54 0.02 0.82 0.00 0.53 0.14 65 G C S 33.25 11.75 13.40 25.26 97.81 -110.09 84.06 4.43 97.64 1.08 1.28 7.49 64.31 25.60 0.06 1.56 0.00 0.65 0.33 66 S C S 79.40 2.68 17.07 20.16 97.30 98.85 -87.57 -21.70 99.00 0.72 0.27 25.69 51.96 21.34 0.03 0.32 0.00 0.47 0.18 67 R C C 132.21 4.03 17.59 22.79 124.67 37.90 -120.80 141.48 77.52 22.39 0.09 53.24 24.60 0.68 0.02 0.09 0.00 20.24 1.16 68 K E E 114.09 9.61 17.33 27.90 116.60 -127.97 -82.89 136.83 5.29 94.67 0.03 4.72 0.33 0.02 0.04 0.01 0.00 70.78 24.10 69 I E E 17.74 20.06 13.10 33.25 121.33 -160.26 -110.94 133.66 30.46 69.48 0.06 29.74 0.81 0.08 0.03 0.04 0.00 64.51 4.79 70 G C C 38.45 7.04 22.48 30.05 101.12 -169.43 -103.45 -16.16 96.44 3.48 0.08 51.22 44.91 0.64 0.02 0.05 0.00 2.86 0.30 71 S C S 38.05 6.68 24.37 31.59 138.71 19.65 -147.98 160.44 95.27 3.33 1.41 24.93 70.14 0.64 1.23 0.15 0.00 0.77 2.15 72 M H H 25.10 22.09 13.88 35.75 91.00 -113.24 -61.00 -35.54 5.53 0.05 94.41 0.85 0.90 3.65 87.01 7.51 0.04 0.03 0.02 73 D H H 95.21 3.14 21.18 24.75 91.30 60.12 -64.29 -36.79 3.49 0.04 96.47 0.51 0.34 2.36 87.53 9.21 0.01 0.02 0.01 74 E H H 72.13 7.39 18.25 26.90 91.76 53.60 -66.83 -33.99 1.88 0.03 98.09 0.40 0.22 1.10 88.35 9.89 0.00 0.02 0.00 75 L H H 8.19 24.22 11.36 34.86 94.69 56.32 -69.90 -35.29 5.01 0.15 94.84 1.95 0.86 2.42 88.91 5.70 0.03 0.09 0.06 76 E H H 103.65 9.19 17.96 27.41 95.59 59.06 -70.98 -27.20 19.25 0.41 80.34 3.80 2.40 13.70 75.83 3.75 0.11 0.20 0.21 77 E C T 136.74 2.13 18.07 20.03 99.17 57.97 -80.34 4.64 69.98 0.23 29.79 2.98 4.68 60.19 29.63 2.23 0.02 0.09 0.17 78 G C T 41.14 8.65 15.41 24.62 101.62 -95.41 85.59 5.51 96.67 0.28 3.05 14.42 8.91 73.64 2.03 0.74 0.00 0.15 0.11 79 E C C 84.67 9.44 17.70 27.83 117.86 142.40 -86.39 149.03 93.89 5.28 0.83 70.03 20.87 3.12 0.21 0.61 0.00 4.60 0.57 80 S E E 34.11 14.46 20.65 34.90 122.76 -124.29 -109.83 144.14 47.07 52.06 0.87 38.53 5.81 1.89 0.19 0.63 0.00 52.20 0.76 81 Y E E 26.82 21.10 21.50 41.92 129.79 -166.48 -126.39 143.35 6.28 93.51 0.21 5.66 0.52 0.12 0.09 0.09 0.00 92.37 1.14 82 V E E 15.72 19.64 25.33 44.67 120.43 -150.60 -112.32 131.43 3.41 96.54 0.06 3.17 0.18 0.03 0.02 0.02 0.00 96.13 0.45 83 C E E 12.14 21.25 23.00 43.79 119.62 -160.82 -106.41 132.02 16.05 83.82 0.12 14.07 1.60 0.23 0.04 0.08 0.00 83.29 0.69 84 S C E 19.35 17.52 19.43 36.65 120.95 -169.42 -119.77 147.24 49.84 49.57 0.59 38.87 9.14 1.85 0.16 0.50 0.00 47.75 1.74 85 S C S 46.88 11.49 17.88 29.42 104.62 -128.49 -93.78 -11.47 85.15 12.88 1.98 31.36 41.29 13.00 0.36 1.60 0.00 11.00 1.40 86 D C S 100.41 4.38 17.75 22.88 100.65 30.54 -93.71 8.63 94.55 2.41 3.04 16.78 60.18 17.98 0.73 2.04 0.00 1.67 0.62 87 N C S 91.80 6.93 15.83 23.65 114.90 58.81 -101.58 125.52 90.83 4.16 5.01 34.99 48.06 8.17 2.05 2.79 0.00 2.60 1.34 88 F C C 116.37 7.68 15.42 24.05 113.65 -107.95 -87.04 132.83 82.75 10.00 7.26 64.67 11.81 5.93 3.39 4.02 0.01 7.29 2.89 89 F C C 73.14 16.25 10.29 25.61 119.64 -121.58 -101.16 135.31 71.89 18.43 9.68 59.20 7.53 4.43 5.01 4.92 0.02 14.33 4.57 90 K C C 127.07 3.95 17.35 22.57 121.14 -160.91 -111.39 139.22 62.26 26.91 10.83 51.52 7.02 3.26 5.95 4.94 0.01 24.01 3.27 91 K C C 131.33 6.36 14.45 22.67 113.76 -108.87 -74.37 135.71 57.33 32.39 10.28 49.08 4.86 2.73 6.19 4.27 0.01 27.04 5.81 92 V C C 50.92 13.68 9.67 23.63 120.16 -154.44 -106.70 137.70 74.66 17.65 7.69 67.60 4.71 2.05 4.92 2.74 0.00 15.63 2.35 93 E C C 143.22 1.91 16.88 19.02 111.62 -128.06 -89.25 123.74 75.74 17.24 7.01 67.02 5.34 2.89 3.87 2.98 0.00 15.69 2.21 94 Y C C 103.27 12.44 9.05 21.33 113.91 -166.62 -95.97 127.72 75.07 14.29 10.64 57.57 9.01 8.07 4.92 5.74 0.01 11.67 3.00 95 T C C 87.65 4.43 11.14 17.27 115.55 -163.32 -101.41 133.65 78.84 12.23 8.93 52.77 14.07 11.95 3.71 5.37 0.01 9.81 2.31 96 K C C 143.07 3.31 9.92 15.10 111.06 -152.96 -93.87 122.50 80.44 11.66 7.90 41.22 26.80 13.43 2.60 5.02 0.02 9.06 1.85 97 N C C 115.69 3.25 9.66 14.75 110.10 -144.34 -90.29 108.24 86.74 9.54 3.72 71.83 5.13 9.78 1.48 1.98 0.00 7.90 1.89 98 V C C 95.11 5.89 10.11 17.58 109.19 -170.07 -95.84 75.51 99.54 0.44 0.02 99.49 0.12 0.05 0.01 0.00 0.00 0.30 0.03