# 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 A C C 75.68 4.03 10.75 16.52 116.59 -169.31 -99.09 133.57 99.84 0.14 0.02 99.76 0.10 0.05 0.01 0.00 0.00 0.08 0.01 1 Q C C 133.92 2.66 9.34 13.96 117.23 -155.30 -104.58 133.02 87.63 9.95 2.42 84.66 1.09 2.38 0.93 0.89 0.00 8.50 1.55 2 R C C 161.87 2.90 8.73 13.67 119.98 -159.56 -108.21 136.59 74.02 22.42 3.56 60.62 9.32 3.46 1.54 2.06 0.00 19.19 3.81 3 V C C 90.16 6.53 8.19 16.34 117.19 -141.38 -98.26 130.75 70.39 26.59 3.02 61.90 5.60 1.91 1.31 1.56 0.00 24.57 3.14 4 T C C 89.47 3.68 11.57 16.95 119.33 -164.70 -111.34 136.04 71.21 25.92 2.88 59.47 8.34 2.46 1.17 1.60 0.00 24.32 2.64 5 F C C 128.97 6.10 9.62 17.40 118.69 -148.82 -104.22 132.07 73.35 24.01 2.64 59.53 10.37 2.65 1.11 1.60 0.00 21.20 3.54 6 R C C 142.51 4.55 10.69 17.17 120.12 -164.79 -110.51 137.02 81.34 16.98 1.68 69.14 9.25 2.28 0.64 1.02 0.00 15.08 2.60 7 R C C 158.87 3.80 10.75 16.49 114.79 -131.41 -89.85 134.57 86.49 12.08 1.43 72.36 10.92 2.83 0.48 0.98 0.00 9.70 2.72 8 R C C 143.54 5.42 9.81 16.99 115.07 -137.68 -90.94 136.63 91.18 8.10 0.73 73.47 15.96 1.70 0.27 0.48 0.00 4.64 3.47 9 N C C 93.62 4.84 10.79 17.24 115.05 -109.47 -85.71 137.88 96.18 2.35 1.47 77.21 14.79 3.97 0.31 1.35 0.00 1.32 1.06 10 P C T 98.48 3.70 11.94 17.12 97.02 -122.44 -69.23 -15.71 94.39 1.09 4.53 31.58 23.34 39.19 0.59 4.29 0.00 0.60 0.41 11 Y C T 129.68 6.50 11.26 19.07 102.87 60.12 -92.96 14.65 89.73 4.41 5.86 34.32 20.87 34.89 0.96 4.90 0.00 2.11 1.94 12 N C C 80.51 8.45 11.19 20.85 109.52 113.61 -92.10 104.87 91.27 4.88 3.85 65.29 19.33 6.10 0.98 3.11 0.00 2.53 2.66 13 T C C 57.63 7.52 11.81 21.00 124.50 160.23 -115.87 154.47 87.43 7.84 4.74 61.09 20.00 5.58 1.74 3.02 0.00 3.18 5.39 14 R C T 172.23 3.17 13.74 18.15 95.06 -127.68 -72.53 -18.38 66.31 2.75 30.94 15.39 19.81 32.69 3.37 26.05 0.03 1.46 1.20 15 S C T 68.85 4.56 14.11 19.84 95.66 66.63 -80.44 -13.56 65.73 2.93 31.33 13.60 16.57 36.64 2.90 27.52 0.02 1.76 0.99 16 N C C 63.84 11.39 12.06 24.11 105.63 66.10 -96.97 55.27 59.84 8.76 31.39 29.90 16.25 15.97 3.21 26.91 0.01 6.32 1.41 17 K C C 98.24 7.34 16.34 24.74 113.96 146.98 -88.76 130.54 62.15 34.25 3.60 47.42 10.28 4.06 0.77 2.71 0.00 33.34 1.42 18 I E E 73.85 11.73 13.80 26.24 123.30 -147.86 -112.27 135.04 11.48 88.44 0.08 10.63 0.71 0.09 0.03 0.04 0.00 88.14 0.37 19 K E E 83.80 8.19 16.33 25.94 125.12 -169.95 -122.59 140.19 1.55 98.44 0.01 1.46 0.05 0.01 0.00 0.00 0.00 98.42 0.05 20 V E E 74.13 8.28 14.62 24.39 116.58 -137.32 -99.88 128.14 0.86 99.13 0.00 0.84 0.02 0.00 0.00 0.00 0.00 99.12 0.02 21 V E E 46.90 9.63 12.82 24.45 125.37 -172.89 -122.03 141.65 1.32 98.67 0.00 1.25 0.04 0.00 0.00 0.00 0.00 98.67 0.03 22 K E E 137.11 3.18 13.54 18.29 114.62 -128.97 -91.92 126.02 6.77 93.22 0.01 6.37 0.29 0.02 0.00 0.00 0.00 92.86 0.45 23 T C C 43.12 9.67 7.42 18.27 123.17 -151.39 -91.82 161.97 94.54 5.42 0.05 94.14 0.77 0.09 0.01 0.02 0.00 4.62 0.36 24 P C T 119.45 1.22 10.47 12.28 101.55 -93.86 -62.98 100.96 96.36 0.81 2.83 1.32 5.62 88.97 0.07 3.29 0.00 0.57 0.16 25 G C T 64.16 0.64 10.33 10.39 96.33 35.24 -62.09 0.28 96.37 0.19 3.45 0.68 4.64 90.40 0.08 4.04 0.00 0.11 0.05 26 G C S 53.03 2.28 10.24 13.86 98.44 -98.94 88.74 4.14 95.37 1.39 3.24 16.40 71.18 7.73 0.21 3.18 0.00 0.83 0.47 27 I C C 96.42 3.18 10.70 15.71 116.90 134.82 -85.15 139.39 87.30 12.60 0.10 83.42 3.58 0.25 0.03 0.07 0.00 11.57 1.08 28 L E E 90.98 7.24 10.49 19.51 116.52 -132.42 -94.47 131.85 3.44 96.55 0.01 3.20 0.15 0.01 0.00 0.00 0.00 96.43 0.21 29 R E E 105.97 6.75 14.46 22.94 124.78 -170.39 -120.47 141.02 0.64 99.36 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.37 0.01 30 A E E 48.56 10.87 13.01 25.06 119.55 -144.68 -105.22 133.12 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.01 31 Q E E 69.32 8.75 15.85 26.14 122.62 -166.99 -117.45 136.39 0.94 99.06 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.09 0.02 32 H E E 85.56 10.46 14.12 25.71 118.58 -147.33 -106.14 131.39 4.22 95.77 0.01 3.91 0.18 0.01 0.00 0.00 0.00 95.72 0.17 33 V E E 50.86 9.91 14.78 26.39 118.90 -163.40 -110.29 130.45 27.44 72.46 0.10 26.07 1.21 0.14 0.04 0.06 0.00 71.25 1.22 34 K C C 117.02 7.61 14.30 23.39 116.65 -145.88 -94.95 132.38 64.59 35.16 0.24 56.76 6.08 0.59 0.07 0.19 0.00 34.53 1.78 35 K C C 105.98 7.23 14.00 22.54 122.24 -154.25 -106.21 142.94 83.59 16.00 0.41 75.05 7.37 0.99 0.11 0.33 0.00 13.30 2.85 36 L C C 108.45 5.19 15.17 21.85 113.88 -110.32 -73.96 140.37 90.82 8.71 0.46 84.77 4.99 1.20 0.12 0.37 0.00 6.14 2.41 37 A C C 37.33 14.82 9.83 24.48 116.06 -112.29 -73.37 147.83 94.28 5.35 0.37 81.27 10.96 2.21 0.07 0.40 0.00 3.58 1.52 38 T C C 96.10 3.31 18.12 22.19 116.29 -146.38 -102.27 139.27 89.37 10.40 0.24 73.00 15.67 0.87 0.07 0.21 0.00 3.99 6.19 39 R C C 126.97 8.14 17.71 26.57 116.30 -85.81 -84.22 138.95 94.67 5.28 0.05 75.86 19.07 0.22 0.01 0.04 0.00 3.54 1.24 40 P C C 29.03 18.52 14.00 32.33 113.37 -109.91 -67.90 145.05 96.13 3.82 0.05 88.74 7.19 0.31 0.01 0.05 0.00 3.26 0.43 41 K E B 101.54 6.42 23.41 30.64 127.77 -153.92 -121.04 148.57 11.79 88.16 0.05 9.34 0.38 0.01 0.05 0.00 0.00 12.14 78.08 42 C C C 10.95 21.03 13.52 34.94 111.62 -110.02 -71.92 134.26 83.28 16.67 0.05 84.22 0.74 0.08 0.02 0.02 0.00 11.77 3.15 43 G C T 31.31 9.67 18.89 29.58 94.44 -140.73 -68.00 -29.28 99.77 0.10 0.13 0.49 6.34 92.96 0.01 0.12 0.00 0.06 0.03 44 D C T 80.00 8.06 18.22 26.83 100.26 41.61 -86.55 -39.28 99.80 0.06 0.14 0.09 3.45 96.30 0.00 0.11 0.00 0.03 0.01 45 C C T 59.90 7.49 15.75 24.44 102.70 17.51 -107.79 -13.36 99.74 0.10 0.16 0.31 5.28 94.18 0.01 0.14 0.00 0.05 0.03 46 G C C 43.32 6.16 15.52 23.16 96.41 -123.10 81.43 5.63 99.30 0.60 0.10 80.04 16.83 2.36 0.02 0.08 0.00 0.27 0.40 47 S C C 50.33 5.98 16.98 24.49 119.90 138.94 -76.53 147.91 96.96 2.99 0.06 85.85 11.15 0.24 0.01 0.04 0.00 1.72 0.99 48 A E B 63.73 7.33 19.27 27.38 114.72 -103.28 -68.48 143.68 6.68 93.23 0.09 4.65 0.28 0.02 0.09 0.01 0.00 9.85 85.10 49 L C C 13.52 23.14 10.77 33.54 110.40 -129.17 -90.16 119.94 93.75 5.96 0.29 92.69 1.28 0.35 0.05 0.22 0.00 4.27 1.13 50 Q C T 126.01 3.36 19.78 24.17 112.70 -134.36 -70.94 137.13 95.34 3.09 1.57 12.01 12.75 70.29 0.20 1.62 0.00 2.36 0.79 51 G C T 51.85 4.03 18.57 22.69 95.71 19.76 85.10 -2.29 97.32 1.36 1.31 8.85 13.48 74.65 0.14 1.48 0.00 1.08 0.31 52 I C C 25.85 20.43 10.16 29.86 112.64 113.54 -95.41 115.64 90.82 6.93 2.25 77.39 11.06 1.66 0.49 2.07 0.00 3.20 4.13 53 S C C 68.88 4.97 20.27 25.54 99.58 -132.01 -74.02 -22.89 82.28 6.25 11.47 47.21 19.39 14.62 1.21 11.73 0.00 3.77 2.08 54 T C C 70.78 9.90 17.58 27.67 114.57 18.77 -95.65 119.65 79.81 8.57 11.62 40.76 20.63 18.00 1.36 11.17 0.01 5.15 2.94 55 L C C 34.22 17.80 11.80 29.23 118.36 108.48 -101.09 136.91 84.18 11.09 4.73 64.96 14.85 2.60 1.67 3.19 0.00 4.44 8.30 56 R C C 113.00 4.25 20.02 24.27 117.07 -124.67 -78.69 148.30 98.41 0.94 0.65 89.37 8.67 0.38 0.52 0.12 0.00 0.35 0.59 57 P H H 66.59 11.37 12.19 24.28 91.94 -111.86 -57.04 -38.59 16.51 0.16 83.33 2.01 1.86 10.91 60.56 24.44 0.07 0.09 0.07 58 R H H 163.98 1.58 16.38 17.84 91.73 53.18 -64.51 -34.61 12.18 0.11 87.72 1.13 1.04 8.43 62.00 27.27 0.04 0.07 0.04 59 Q H H 88.08 5.63 16.01 22.67 93.51 49.79 -70.75 -35.36 8.81 0.14 91.05 1.35 0.95 5.44 64.90 27.20 0.02 0.09 0.03 60 Y H H 43.72 18.21 11.05 28.39 93.20 51.51 -69.85 -33.43 13.42 0.29 86.29 3.29 1.88 7.37 64.99 22.17 0.04 0.16 0.10 61 A C T 61.44 7.37 14.72 23.38 91.37 66.69 -67.68 -20.27 51.32 0.45 48.22 4.50 4.25 40.86 33.12 16.58 0.12 0.23 0.34 62 T C T 107.50 1.33 17.92 18.13 96.35 52.51 -92.68 -3.40 65.47 0.52 34.01 7.69 6.92 49.78 19.50 15.38 0.04 0.27 0.41 63 V C C 34.12 16.15 7.76 23.49 117.27 106.36 -77.77 141.42 94.20 1.30 4.50 51.33 40.37 2.38 3.33 0.99 0.00 0.32 1.29 64 S C C 58.78 2.91 17.39 20.15 117.94 -121.65 -83.57 153.67 96.53 1.76 1.71 91.96 3.39 0.93 0.99 0.46 0.00 0.53 1.74 65 K C G 124.72 8.74 11.03 20.94 92.08 -115.92 -60.28 -32.03 50.67 0.72 48.61 4.97 7.72 37.70 4.86 43.86 0.03 0.37 0.49 66 T C T 106.63 1.75 14.80 16.97 92.13 61.16 -70.36 -21.33 53.42 0.31 46.28 2.56 5.91 44.37 4.52 42.24 0.01 0.16 0.24 67 H C G 124.96 3.96 14.73 19.67 97.59 47.72 -95.57 -1.76 50.78 0.95 48.27 7.82 9.66 33.41 5.03 42.98 0.01 0.51 0.57 68 K C C 67.91 15.78 11.64 26.75 109.36 94.56 -84.33 118.26 89.31 3.18 7.51 66.05 19.55 3.35 4.80 2.52 0.00 1.11 2.61 69 T C C 66.17 7.30 19.85 27.65 123.64 166.53 -119.84 147.89 82.41 13.55 4.04 68.93 9.27 2.00 2.71 1.44 0.01 4.72 10.93 70 V C C 37.78 18.20 12.96 30.48 109.71 -136.85 -88.63 108.93 84.46 9.86 5.67 62.50 16.24 5.06 3.15 2.63 0.01 4.86 5.55 71 S C C 76.33 4.70 18.59 24.12 101.02 143.58 -96.04 -6.97 87.86 7.75 4.38 61.77 20.31 5.30 2.13 2.26 0.00 3.48 4.75 72 R C S 103.14 7.42 15.21 23.95 124.99 86.32 -101.79 153.86 77.70 8.82 13.48 31.83 36.36 9.26 5.94 6.16 0.21 2.86 7.38 73 A C T 64.86 8.21 15.04 24.20 94.07 -108.48 -63.56 -29.79 80.31 1.02 18.67 4.08 12.89 63.05 3.89 14.80 0.02 0.57 0.70 74 Y C T 123.48 7.87 15.13 23.86 98.23 42.74 -92.73 7.93 80.68 1.42 17.91 4.37 11.96 63.96 3.29 14.76 0.02 0.83 0.82 75 G C T 30.60 10.89 15.11 26.29 110.62 -109.67 77.85 0.82 78.34 6.26 15.41 26.33 24.03 28.38 4.54 10.13 0.10 2.67 3.83 76 G C C 33.26 9.41 15.97 25.90 115.67 -7.26 85.57 -163.74 82.03 5.41 12.56 31.55 24.32 27.01 3.30 8.57 0.02 2.43 2.81 77 S C S 64.13 7.94 17.20 25.60 99.96 -41.87 -81.60 -9.53 73.67 7.59 18.75 19.41 31.77 24.27 5.87 11.10 0.10 4.10 3.38 78 R C S 127.05 7.14 18.28 26.01 100.14 68.35 -77.43 -19.44 64.15 17.04 18.81 20.32 27.63 17.22 8.42 8.71 0.52 7.60 9.58 79 C C C 35.36 13.35 16.11 29.78 104.65 43.60 -100.01 37.41 76.92 9.16 13.92 59.76 7.97 7.85 9.96 4.32 0.01 4.03 6.11 80 A H H 35.76 12.95 16.56 29.92 94.21 127.00 -62.67 -39.34 8.58 0.08 91.34 3.52 1.77 3.80 89.40 1.43 0.01 0.03 0.03 81 N H H 96.29 3.26 22.84 25.91 92.31 53.51 -65.91 -39.05 3.74 0.03 96.24 0.83 0.51 2.38 95.08 1.17 0.01 0.01 0.01 82 C H H 31.39 9.03 19.43 29.86 92.31 50.42 -65.51 -42.09 2.15 0.03 97.82 0.73 0.27 1.15 96.67 1.15 0.00 0.02 0.01 83 V H H 17.93 17.36 16.98 34.83 92.11 50.18 -64.40 -42.72 0.99 0.02 98.98 0.47 0.13 0.41 98.68 0.28 0.00 0.01 0.01 84 K H H 92.34 8.68 20.59 29.30 91.65 51.27 -63.33 -41.86 0.80 0.01 99.19 0.33 0.09 0.37 99.07 0.14 0.00 0.00 0.00 85 E H H 101.19 3.44 21.83 24.97 91.93 49.71 -65.19 -40.94 0.69 0.00 99.30 0.25 0.09 0.33 99.24 0.08 0.00 0.00 0.00 86 R H H 90.97 9.42 19.34 29.15 92.26 49.61 -65.65 -40.60 0.48 0.00 99.52 0.17 0.05 0.22 99.49 0.06 0.00 0.00 0.00 87 I H H 47.31 13.12 17.62 30.85 92.31 48.77 -65.00 -42.51 0.33 0.00 99.66 0.12 0.03 0.15 99.65 0.04 0.00 0.00 0.00 88 I H H 77.60 5.78 19.59 25.85 91.81 49.31 -63.99 -42.27 0.34 0.00 99.65 0.13 0.03 0.16 99.64 0.05 0.00 0.00 0.00 89 R H H 123.99 3.19 20.25 23.35 91.97 49.16 -65.01 -41.38 0.32 0.00 99.67 0.06 0.02 0.20 99.66 0.06 0.00 0.00 0.00 90 A H H 31.34 8.73 17.09 27.21 91.96 50.16 -64.82 -41.76 0.54 0.00 99.46 0.05 0.03 0.39 99.43 0.10 0.00 0.00 0.00 91 F H H 78.01 8.75 17.61 26.83 92.40 48.88 -65.48 -41.03 1.44 0.00 98.55 0.13 0.08 1.09 98.52 0.17 0.00 0.00 0.00 92 L H H 83.89 3.89 18.42 22.60 92.05 49.96 -65.07 -41.08 2.31 0.01 97.68 0.30 0.17 1.65 97.64 0.22 0.00 0.00 0.00 93 I H H 82.58 3.33 18.39 21.89 92.12 49.41 -65.00 -42.10 1.61 0.01 98.38 0.39 0.18 0.93 98.33 0.17 0.00 0.00 0.00 94 E H H 79.32 6.58 17.12 24.35 91.80 49.50 -64.78 -41.39 0.96 0.00 99.04 0.22 0.08 0.55 99.01 0.15 0.00 0.00 0.00 95 E H H 83.00 6.62 16.47 23.91 91.94 50.29 -65.07 -40.27 0.67 0.00 99.32 0.11 0.04 0.40 99.33 0.11 0.00 0.00 0.00 96 Q H H 94.32 3.16 17.46 20.85 91.95 51.34 -64.76 -40.49 0.43 0.00 99.57 0.06 0.02 0.25 99.61 0.06 0.00 0.00 0.00 97 K H H 109.21 2.76 17.88 20.51 92.02 50.61 -65.35 -41.02 0.54 0.00 99.46 0.07 0.03 0.33 99.51 0.06 0.00 0.00 0.00 98 I H H 69.55 5.56 16.31 22.68 92.15 49.38 -64.83 -42.20 0.35 0.00 99.65 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 99 V H H 69.01 4.50 16.19 21.45 91.86 49.67 -64.29 -42.20 0.24 0.00 99.76 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 100 K H H 113.33 2.31 17.34 19.42 91.76 50.05 -64.37 -41.13 0.27 0.00 99.72 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 101 K H H 109.68 2.61 17.13 19.64 92.00 50.06 -64.93 -40.92 0.29 0.00 99.71 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 102 V H H 64.45 4.51 15.51 20.75 91.89 49.52 -64.22 -42.44 0.27 0.00 99.73 0.04 0.02 0.15 99.77 0.03 0.00 0.00 0.00 103 V H H 74.44 2.92 15.63 19.01 91.76 49.47 -64.28 -41.73 0.35 0.00 99.65 0.06 0.02 0.19 99.69 0.04 0.00 0.00 0.00 104 K H H 116.53 1.79 15.68 17.10 91.74 49.81 -64.47 -41.04 0.59 0.00 99.41 0.09 0.04 0.33 99.47 0.07 0.00 0.00 0.00 105 E H H 100.74 2.27 14.60 17.02 91.98 50.01 -65.06 -40.20 0.94 0.00 99.05 0.16 0.07 0.54 99.11 0.12 0.00 0.00 0.00 106 Q H H 101.51 2.26 13.64 16.18 91.97 50.13 -65.41 -40.11 1.70 0.01 98.29 0.34 0.15 0.97 98.34 0.20 0.00 0.00 0.00 107 T H H 79.66 1.72 12.32 14.36 92.27 49.78 -65.71 -39.85 3.41 0.02 96.58 0.81 0.33 1.92 96.51 0.42 0.00 0.01 0.00 108 E H H 125.79 1.38 11.50 13.15 92.43 51.02 -66.31 -37.98 6.74 0.03 93.23 1.30 0.70 4.19 93.02 0.76 0.01 0.01 0.01 109 A H H 81.45 1.38 9.97 11.91 93.07 52.89 -68.99 -31.15 18.97 0.07 80.96 2.89 1.93 13.24 80.91 0.96 0.01 0.02 0.04 110 A H H 86.04 1.34 9.04 11.14 96.17 55.17 -78.37 -15.24 49.58 0.18 50.24 19.14 1.69 26.43 51.46 1.09 0.00 0.06 0.12 111 K C C 151.45 1.99 10.47 13.78 103.01 86.81 -75.84 39.54 99.84 0.03 0.12 99.35 0.20 0.31 0.10 0.01 0.00 0.02 0.01