# 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 T C C 84.60 5.77 15.71 22.91 121.62 -171.49 -110.05 145.75 99.49 0.50 0.01 99.56 0.09 0.03 0.00 0.00 0.00 0.26 0.04 1 G C C 42.83 6.27 13.11 20.73 122.17 83.85 109.87 169.96 84.17 14.99 0.84 79.56 1.80 2.68 0.29 0.47 0.00 11.14 4.07 2 M C C 113.89 5.63 12.17 19.39 116.89 -98.58 -97.85 136.76 77.08 21.08 1.84 56.60 14.59 5.02 0.64 1.44 0.00 15.38 6.33 3 R C C 143.58 5.40 12.20 19.49 117.94 -149.80 -98.66 136.02 66.65 29.94 3.42 48.82 12.44 3.79 1.73 1.88 0.04 13.32 17.97 4 G C C 29.42 8.97 10.78 20.88 124.58 -139.52 -87.03 173.88 83.82 7.81 8.37 64.38 11.28 7.14 1.41 7.77 0.00 4.53 3.50 5 A C T 81.03 4.36 12.98 18.51 95.76 -81.80 -69.80 -21.73 77.72 2.91 19.37 8.39 14.64 53.11 0.98 20.03 0.01 1.79 1.06 6 F C T 130.88 5.16 12.53 18.98 98.59 42.84 -95.09 9.85 81.30 1.45 17.25 3.97 13.43 61.50 0.72 18.89 0.00 0.85 0.65 7 G C S 42.27 4.85 14.30 20.36 105.65 -97.08 87.19 3.30 89.86 3.90 6.23 20.01 57.81 11.53 0.56 5.95 0.00 2.08 2.07 8 K C C 117.46 4.98 15.39 21.93 120.51 117.34 -92.15 142.52 92.54 7.28 0.18 74.42 17.84 0.68 0.05 0.14 0.00 4.58 2.30 9 P C C 55.69 12.52 12.84 25.92 114.03 -104.72 -66.04 146.77 63.81 35.63 0.56 58.03 4.38 0.67 0.26 0.27 0.00 12.19 24.19 10 Q C C 105.78 7.57 16.97 25.44 114.63 -136.84 -93.77 132.91 85.29 14.02 0.69 65.25 15.91 3.82 0.18 0.63 0.00 9.76 4.44 11 G C C 30.18 8.83 17.48 26.96 129.14 54.68 143.29 -172.32 79.97 19.58 0.45 39.01 36.91 4.88 0.07 0.47 0.00 16.96 1.70 12 T E E 64.43 9.30 20.85 30.46 122.46 -74.84 -106.86 142.29 49.77 49.93 0.30 39.35 8.96 1.26 0.08 0.30 0.00 47.14 2.91 13 V E E 39.87 18.89 16.68 34.65 124.61 -164.57 -113.29 141.43 26.67 73.17 0.16 22.79 3.75 0.37 0.06 0.12 0.00 70.86 2.05 14 A E E 17.00 18.07 19.38 37.33 125.28 -135.77 -116.74 142.26 14.67 85.25 0.08 12.83 1.54 0.15 0.02 0.05 0.00 84.93 0.47 15 R E E 118.10 9.11 23.72 33.30 116.94 -138.31 -97.49 129.81 8.99 90.95 0.06 8.15 0.69 0.09 0.02 0.03 0.00 90.23 0.79 16 V E E 12.23 22.95 13.62 36.51 129.76 -174.76 -127.54 148.38 20.27 79.69 0.04 19.91 0.59 0.05 0.02 0.02 0.00 77.89 1.53 17 H C C 99.89 4.86 22.97 27.73 120.63 -129.02 -93.87 147.47 55.61 44.34 0.05 55.06 1.32 0.09 0.02 0.03 0.00 38.94 4.54 18 I C T 87.14 11.93 14.52 26.83 108.63 -88.00 -59.86 133.15 98.64 1.06 0.29 0.35 2.21 96.54 0.01 0.18 0.00 0.60 0.11 19 G C T 46.27 4.91 18.93 24.63 96.08 21.84 88.31 -4.96 99.56 0.28 0.17 0.45 2.54 96.65 0.00 0.13 0.00 0.21 0.02 20 Q C C 80.50 8.29 17.61 27.08 117.16 123.31 -79.81 139.58 94.16 5.69 0.16 78.03 15.71 0.50 0.02 0.17 0.00 4.95 0.62 21 V E E 67.69 12.36 17.19 29.96 110.80 -120.22 -79.21 123.49 11.19 88.76 0.05 11.48 0.24 0.03 0.03 0.02 0.00 84.82 3.38 22 I E E 34.93 16.97 17.84 35.03 101.63 175.21 -97.77 -33.48 7.74 92.23 0.03 5.18 2.63 0.15 0.01 0.02 0.00 91.85 0.16 23 M E E 33.28 14.92 21.07 36.51 141.25 -4.03 -155.86 153.53 1.93 98.06 0.02 1.57 0.30 0.03 0.00 0.01 0.00 98.05 0.04 24 S E E 40.20 15.31 21.49 36.17 127.67 -153.06 -124.08 140.10 4.06 95.92 0.03 3.80 0.20 0.02 0.01 0.01 0.00 95.85 0.10 25 I E E 14.33 21.28 18.99 40.14 126.73 -169.81 -127.09 137.75 11.21 88.73 0.06 10.52 0.57 0.06 0.03 0.03 0.00 88.38 0.42 26 R E E 107.02 9.81 24.12 34.20 119.63 -155.00 -106.65 132.54 23.70 76.23 0.07 21.31 1.69 0.14 0.02 0.04 0.00 76.15 0.66 27 T E E 14.09 20.09 14.40 34.45 136.86 164.89 -141.95 161.85 43.31 56.56 0.13 41.16 1.76 0.14 0.06 0.08 0.00 53.96 2.85 28 K C C 101.09 5.07 21.32 26.48 115.20 -103.33 -74.83 146.19 65.51 34.26 0.23 63.55 2.10 0.16 0.10 0.12 0.00 29.28 4.69 29 L H G 86.30 11.21 13.26 25.04 92.24 -111.87 -59.40 -34.37 23.72 0.41 75.87 2.24 3.54 17.04 3.28 73.54 0.00 0.28 0.08 30 Q H G 140.49 1.33 18.15 18.57 91.40 59.77 -69.56 -19.60 22.82 0.21 76.97 1.20 2.26 18.37 3.72 74.25 0.00 0.14 0.06 31 N H G 44.36 13.04 12.68 26.65 100.23 49.43 -107.05 20.05 23.64 0.47 75.90 6.86 3.29 12.90 4.25 72.30 0.00 0.29 0.10 32 K H H 69.83 16.70 13.40 29.50 92.57 116.19 -59.86 -41.38 1.86 0.00 98.14 0.89 0.17 0.64 97.74 0.55 0.00 0.00 0.00 33 E H H 134.75 1.74 21.91 22.85 91.48 53.09 -63.87 -39.48 0.33 0.00 99.67 0.04 0.02 0.20 99.41 0.32 0.00 0.00 0.00 34 H H H 72.38 8.96 20.80 30.33 92.01 49.59 -65.98 -40.70 0.14 0.00 99.86 0.02 0.00 0.08 99.59 0.30 0.00 0.00 0.00 35 V H H 3.16 25.46 16.52 42.36 91.82 49.89 -63.83 -43.88 0.08 0.00 99.92 0.01 0.00 0.04 99.88 0.06 0.00 0.00 0.00 36 V H H 31.95 14.17 21.85 36.14 91.62 49.80 -63.29 -43.07 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 37 E H H 93.04 3.08 25.85 28.10 91.44 49.95 -63.62 -42.53 0.17 0.00 99.83 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 38 A H H 8.93 16.82 19.70 37.41 91.83 50.46 -63.81 -42.59 0.41 0.00 99.59 0.03 0.02 0.31 99.40 0.25 0.00 0.00 0.00 39 L H H 8.78 24.14 17.96 41.75 91.80 50.54 -64.40 -39.89 1.57 0.00 98.43 0.09 0.06 1.33 97.32 1.21 0.00 0.00 0.00 40 R H H 124.93 7.31 21.90 29.77 91.51 53.93 -66.16 -33.08 12.35 0.02 87.64 0.29 0.35 12.12 85.88 1.34 0.01 0.01 0.01 41 R H H 126.65 5.20 21.49 26.88 93.29 51.94 -80.09 -17.58 38.11 0.16 61.72 1.72 2.07 33.55 60.55 1.92 0.04 0.06 0.09 42 A C C 12.36 21.65 11.22 32.09 104.83 88.38 -71.38 86.17 62.07 5.53 32.40 38.66 12.21 11.24 22.55 9.91 0.05 2.80 2.58 43 K C C 120.38 7.33 18.48 26.40 98.54 -150.80 -70.63 -20.61 60.78 7.85 31.37 23.30 16.30 22.91 12.91 17.18 0.14 4.90 2.36 44 F C C 121.27 7.40 16.88 24.82 98.96 44.92 -83.18 2.65 59.19 12.28 28.53 24.09 15.90 22.31 9.23 17.30 0.15 8.27 2.75 45 K C C 110.09 8.47 16.54 25.64 105.52 96.94 -93.18 16.30 67.55 15.83 16.62 40.94 16.91 10.49 6.08 10.36 0.06 10.30 4.86 46 F C C 62.21 15.64 11.37 26.80 118.56 89.69 -104.04 130.53 86.12 12.60 1.27 52.51 31.84 2.77 0.50 0.84 0.00 7.38 4.15 47 P C C 78.94 6.29 16.15 23.35 110.29 -110.14 -68.70 141.46 92.54 4.91 2.55 42.54 23.48 26.75 0.35 2.50 0.00 3.41 0.97 48 G C S 42.22 5.32 16.12 22.46 119.66 33.86 110.64 -170.61 85.87 10.46 3.67 23.80 33.56 29.45 0.39 3.52 0.00 7.39 1.89 49 R C C 145.37 5.79 16.43 23.43 110.47 -40.73 -91.31 108.49 81.90 15.25 2.85 55.95 16.78 8.60 0.40 3.01 0.00 13.58 1.67 50 Q C C 55.76 16.19 13.23 29.05 123.59 147.57 -108.82 145.36 68.35 30.80 0.85 57.55 8.45 1.52 0.18 0.70 0.00 30.44 1.16 51 K E E 109.57 6.64 22.18 29.41 119.33 -135.00 -101.44 135.17 30.17 69.37 0.46 26.57 2.95 0.52 0.16 0.27 0.00 68.59 0.94 52 I E E 23.87 22.23 14.75 36.81 119.29 -155.39 -110.49 128.65 8.48 91.39 0.13 8.03 0.43 0.07 0.06 0.04 0.00 91.00 0.36 53 H E E 73.74 9.53 24.03 33.89 118.56 -162.63 -108.77 129.96 4.30 95.61 0.09 4.09 0.21 0.04 0.04 0.03 0.00 95.34 0.25 54 I E E 36.87 19.60 16.75 35.82 121.48 -165.01 -114.70 130.96 11.60 88.17 0.23 11.20 0.54 0.11 0.12 0.08 0.00 87.11 0.84 55 S E E 28.20 12.89 17.04 30.76 122.35 -151.02 -99.37 149.08 47.53 50.75 1.71 42.89 3.03 0.91 0.66 0.89 0.00 50.38 1.24 56 K C C 124.39 7.32 17.41 25.68 98.58 -141.08 -80.25 -12.73 68.56 18.87 12.57 29.16 25.46 16.36 2.22 9.07 0.07 15.91 1.75 57 K C C 117.77 5.37 17.55 23.97 110.69 66.60 -99.30 117.73 68.78 19.71 11.51 37.63 15.79 17.19 2.21 9.05 0.07 14.97 3.08 58 W C C 97.13 14.49 11.56 25.77 118.21 -163.87 -106.51 128.17 68.15 21.31 10.54 27.76 19.02 23.81 2.20 7.82 0.22 12.45 6.72 59 G C T 43.87 5.52 16.89 23.19 114.31 4.81 80.54 -142.89 87.57 7.44 4.99 16.10 29.87 41.96 0.64 4.41 0.01 5.04 1.97 60 F C T 131.72 6.45 16.21 23.21 99.26 -7.76 -89.75 -1.91 87.28 8.33 4.39 17.80 34.40 35.69 0.63 3.72 0.01 5.25 2.50 61 T C C 30.72 16.77 10.05 26.50 123.52 89.59 -101.02 147.65 79.48 17.44 3.09 35.08 29.28 16.01 0.64 2.60 0.01 10.17 6.21 62 K C C 145.22 3.04 19.23 22.65 96.10 -138.41 -84.06 -3.74 87.49 11.28 1.23 45.43 34.59 8.01 0.25 1.12 0.00 7.77 2.83 63 F C C 47.57 15.97 10.92 26.85 120.85 100.94 -97.22 142.02 87.82 11.73 0.45 63.96 23.30 0.80 0.25 0.23 0.00 5.64 5.82 64 N C C 74.94 3.83 20.25 23.81 120.43 -123.66 -81.76 160.11 95.05 4.59 0.36 94.32 1.20 0.21 0.22 0.07 0.00 1.72 2.25 65 A H H 49.06 11.65 12.41 24.88 92.04 -108.72 -58.39 -38.39 3.81 0.01 96.18 0.43 0.37 2.93 93.79 2.47 0.00 0.00 0.00 66 D H H 109.05 1.19 18.58 18.30 91.96 52.83 -64.91 -38.91 3.29 0.01 96.71 0.23 0.19 2.92 93.76 2.90 0.01 0.00 0.00 67 E H H 84.13 5.87 17.31 24.18 92.35 49.49 -66.83 -39.40 1.75 0.02 98.24 0.30 0.15 1.22 95.03 3.29 0.00 0.01 0.00 68 F H H 17.88 20.35 12.13 32.18 92.12 52.24 -64.09 -42.77 0.54 0.01 99.45 0.17 0.05 0.25 99.32 0.20 0.00 0.00 0.00 69 E H H 95.67 5.36 19.07 25.13 91.71 51.44 -62.98 -41.74 0.27 0.00 99.73 0.07 0.02 0.12 99.74 0.05 0.00 0.00 0.00 70 D H H 84.32 1.82 20.65 20.82 91.97 49.29 -64.93 -41.01 0.21 0.00 99.79 0.03 0.01 0.11 99.80 0.04 0.00 0.00 0.00 71 M H H 25.93 12.94 14.86 29.36 91.99 49.83 -64.76 -41.80 0.27 0.00 99.73 0.04 0.02 0.16 99.72 0.06 0.00 0.00 0.00 72 V H H 37.00 14.39 13.46 28.19 92.44 50.10 -64.55 -41.63 0.62 0.00 99.38 0.05 0.03 0.45 99.32 0.13 0.00 0.00 0.00 73 A H H 80.38 1.94 16.75 18.78 91.11 53.06 -65.06 -32.89 4.86 0.01 95.13 0.09 0.12 4.81 94.78 0.19 0.01 0.00 0.00 74 E C T 117.51 2.81 15.79 19.08 93.20 50.68 -86.75 -1.24 88.78 0.02 11.20 0.16 1.09 86.66 11.84 0.22 0.00 0.00 0.02 75 K C T 132.31 6.64 15.35 23.65 93.77 -119.08 61.21 33.23 99.64 0.02 0.34 0.49 2.14 97.11 0.20 0.04 0.00 0.01 0.01 76 R C C 83.61 10.40 17.84 29.17 98.29 128.31 -94.10 -7.80 94.97 4.95 0.08 51.64 41.67 1.53 0.02 0.06 0.00 4.84 0.23 77 L E E 17.85 21.87 12.98 34.49 124.46 69.71 -115.31 138.82 10.26 89.71 0.04 8.38 2.02 0.11 0.01 0.03 0.00 87.23 2.21 78 I E E 58.46 8.59 20.79 30.53 122.70 -164.26 -119.45 132.60 3.04 96.95 0.01 2.75 0.20 0.01 0.00 0.00 0.00 96.68 0.35 79 P E E 77.07 9.81 15.04 25.65 112.41 -115.79 -69.38 134.32 12.96 86.96 0.08 11.05 1.25 0.23 0.01 0.06 0.00 87.11 0.28 80 D C E 80.70 6.96 12.80 21.13 107.11 177.96 -112.94 28.04 53.98 45.44 0.57 43.31 7.03 2.85 0.08 0.59 0.00 44.94 1.19 81 G C T 61.01 1.32 14.18 15.27 102.62 -80.25 68.36 -56.42 97.27 1.59 1.14 4.57 37.14 55.52 0.05 1.28 0.00 1.20 0.23 82 C C T 96.04 3.77 12.76 17.35 98.75 33.86 -97.85 0.74 97.89 0.90 1.21 3.59 38.20 56.11 0.05 1.25 0.00 0.63 0.17 83 G E E 27.55 6.04 16.63 23.92 140.67 -46.45 151.45 -176.18 42.70 56.99 0.31 19.98 21.33 3.55 0.04 0.35 0.00 53.57 1.17 84 V E E 55.65 15.44 12.02 27.28 122.79 -67.53 -115.06 136.50 16.71 83.26 0.02 15.48 0.77 0.06 0.00 0.01 0.00 83.17 0.49 85 K E E 94.86 7.33 19.48 27.88 126.00 -168.97 -121.18 141.35 3.02 96.97 0.01 2.80 0.16 0.02 0.00 0.00 0.00 96.71 0.31 86 Y E E 102.55 13.04 16.81 29.84 116.90 -132.77 -92.94 132.48 5.97 94.02 0.02 5.66 0.25 0.02 0.01 0.01 0.00 92.62 1.44 87 I C C 30.23 16.49 14.39 31.59 115.15 -156.76 -109.48 122.13 67.92 32.01 0.07 65.51 1.32 0.12 0.01 0.05 0.00 32.36 0.63 88 P C C 70.68 6.01 20.20 26.73 113.28 -118.00 -67.57 148.74 87.92 10.88 1.20 61.48 16.16 9.38 0.15 1.33 0.00 10.72 0.77 89 N C C 79.18 12.75 14.47 27.03 108.64 -104.71 -78.16 114.56 94.20 4.06 1.75 56.17 22.24 15.70 0.26 1.79 0.00 2.62 1.22 90 R C C 126.79 6.98 17.14 24.84 103.39 164.85 -105.26 4.89 91.31 5.71 2.98 52.68 28.16 10.49 0.82 2.19 0.00 2.76 2.89 91 G C S 22.76 8.82 17.20 26.85 132.27 -75.16 110.34 -174.23 90.75 4.11 5.14 31.20 53.07 6.84 3.49 1.53 0.01 1.94 1.92 92 P C C 64.24 5.75 19.07 25.51 109.62 -32.43 -68.29 142.01 65.68 2.71 31.61 39.48 15.65 10.29 29.09 3.03 0.02 1.14 1.30 93 L H H 44.44 17.84 11.86 28.92 93.37 -124.07 -61.92 -35.50 12.61 0.21 87.18 6.33 2.30 4.70 82.51 3.96 0.01 0.11 0.08 94 D H H 94.29 2.89 17.58 21.09 91.57 59.54 -63.60 -37.58 5.66 0.13 94.21 2.26 0.83 2.79 89.25 4.74 0.01 0.09 0.04 95 K H H 115.97 3.06 17.68 20.98 92.13 51.19 -67.01 -37.73 3.54 0.10 96.36 1.34 0.49 1.80 91.12 5.13 0.01 0.08 0.02 96 W H H 45.32 15.57 12.29 28.20 92.96 51.83 -67.15 -39.35 3.45 0.11 96.44 1.28 0.47 1.79 91.90 4.45 0.01 0.07 0.03 97 R H H 112.15 7.99 14.77 23.92 91.80 56.00 -62.87 -40.48 5.21 0.18 94.61 1.87 0.68 2.75 89.74 4.78 0.01 0.12 0.05 98 A H H 71.63 1.78 15.37 16.97 91.97 53.41 -65.63 -34.67 12.02 0.14 87.84 2.51 1.21 7.91 81.93 6.27 0.03 0.08 0.06 99 L H H 90.87 5.94 12.59 19.90 94.33 52.08 -75.33 -25.56 25.25 0.26 74.49 4.76 2.75 17.57 69.62 4.99 0.05 0.12 0.14 100 H C H 91.33 9.53 9.38 19.58 101.61 52.88 -92.45 -0.20 52.78 0.86 46.37 26.86 2.19 23.33 44.30 2.44 0.01 0.34 0.53 101 S C C 78.11 3.51 12.75 17.85 107.26 111.64 -82.30 96.88 99.92 0.04 0.04 99.77 0.08 0.09 0.03 0.00 0.00 0.02 0.00