# 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 93.17 10.95 13.43 24.64 115.33 -156.64 -89.77 131.86 99.75 0.22 0.03 99.64 0.14 0.06 0.01 0.00 0.00 0.12 0.03 1 S C C 68.52 5.90 12.78 20.21 117.28 -165.31 -100.05 139.07 83.95 12.85 3.20 80.03 1.49 2.84 1.39 1.28 0.00 8.79 4.18 2 V C C 90.01 7.55 11.31 20.16 110.67 -151.69 -94.52 113.13 79.33 15.62 5.05 56.05 15.39 7.89 1.59 3.44 0.00 12.72 2.90 3 L C C 89.24 9.15 12.29 22.31 112.64 -143.20 -90.41 126.15 80.92 14.17 4.92 58.66 14.81 7.38 1.42 3.42 0.00 12.07 2.25 4 T C C 88.59 5.74 15.63 22.64 112.66 -160.41 -99.01 112.73 82.48 14.18 3.34 61.29 15.81 5.09 1.18 2.31 0.00 10.61 3.72 5 V C C 47.49 15.01 11.26 26.21 118.59 -161.25 -102.63 129.42 90.77 8.58 0.65 67.39 23.00 1.03 0.30 0.35 0.00 6.04 1.90 6 P C C 64.26 7.74 14.98 24.18 113.07 -109.45 -66.01 146.62 90.14 6.32 3.53 78.59 6.71 4.77 1.09 2.30 0.00 4.88 1.66 7 R C C 153.40 6.16 14.02 21.59 101.37 -137.36 -80.39 -10.54 91.26 3.65 5.09 48.09 30.20 13.22 1.33 3.65 0.00 1.95 1.56 8 Q C C 119.13 3.86 16.38 21.39 115.16 54.32 -107.40 120.70 91.28 3.63 5.09 51.84 29.18 10.31 1.51 3.42 0.00 1.74 2.00 9 T C C 38.34 15.56 10.30 25.62 116.80 -155.65 -91.68 135.72 95.02 2.15 2.83 75.11 17.78 2.17 1.59 1.14 0.00 1.03 1.19 10 P C C 59.95 6.32 14.94 22.95 108.10 -109.92 -65.99 141.66 89.02 1.96 9.01 76.98 5.92 6.26 4.63 4.02 0.00 0.97 1.23 11 R C G 144.40 6.56 12.78 20.85 94.71 -120.63 -64.51 -30.42 59.01 1.77 39.21 22.77 12.47 24.70 12.45 25.63 0.04 0.81 1.13 12 Q C T 126.79 2.32 15.81 18.62 93.16 60.78 -68.67 -26.44 56.58 1.08 42.33 13.02 12.00 31.73 13.78 28.15 0.07 0.52 0.74 13 R C G 95.02 10.21 14.62 25.54 96.84 51.33 -83.75 -19.78 50.58 1.62 47.80 18.40 11.54 21.93 16.24 30.16 0.06 0.75 0.92 14 L H G 38.04 17.96 12.46 29.61 94.92 70.22 -68.74 -35.17 38.34 1.43 60.23 19.79 7.57 11.59 12.89 46.86 0.01 0.78 0.50 15 P H G 77.85 7.06 18.55 26.29 94.23 63.74 -68.98 -20.61 40.34 1.17 58.49 14.84 6.48 19.30 9.99 48.26 0.01 0.68 0.43 16 V H G 83.60 6.96 20.04 27.40 98.14 52.67 -92.32 -4.50 42.42 1.55 56.03 15.44 8.29 19.90 7.78 47.09 0.02 0.80 0.68 17 L C C 14.90 21.42 13.41 34.70 114.53 112.06 -77.08 136.85 88.87 1.33 9.80 49.61 36.82 2.84 6.70 2.43 0.00 0.36 1.23 18 P H G 45.32 9.85 21.97 33.11 93.84 -126.89 -63.33 -22.85 49.25 0.99 49.76 13.63 6.73 28.26 16.78 33.41 0.04 0.49 0.65 19 C H G 13.15 20.94 15.88 36.72 92.91 57.55 -72.81 -15.24 46.28 1.15 52.57 9.70 6.51 28.85 17.54 36.01 0.06 0.60 0.73 20 H H G 74.29 14.34 18.02 31.72 94.95 69.30 -79.36 -13.79 45.42 2.16 52.42 14.69 9.78 21.68 18.55 32.90 0.10 1.06 1.23 21 V C T 83.44 7.24 17.62 25.49 101.88 67.69 -93.22 4.32 63.62 2.01 34.37 13.23 16.29 34.24 16.64 16.95 0.17 0.91 1.57 22 G C S 49.59 5.16 17.48 23.30 110.82 -49.19 82.93 -77.41 92.86 1.08 6.06 24.99 38.57 29.72 2.20 3.29 0.00 0.42 0.81 23 D C C 65.29 8.48 16.87 26.34 108.93 22.09 -111.58 98.02 99.40 0.35 0.25 93.13 5.89 0.41 0.13 0.08 0.00 0.13 0.23 24 P H G 48.13 16.79 14.28 31.03 92.88 -174.20 -64.64 -24.40 28.45 0.20 71.36 4.70 2.82 19.53 22.18 50.55 0.00 0.11 0.10 25 D H G 83.42 7.97 21.62 30.28 91.25 68.18 -66.67 -20.69 17.40 0.07 82.53 1.41 1.22 13.38 29.51 54.41 0.00 0.04 0.03 26 L H G 23.67 16.98 19.41 36.54 92.02 63.18 -68.93 -28.34 7.61 0.05 92.34 0.85 0.64 5.40 30.00 63.07 0.00 0.04 0.01 27 W H G 15.07 23.57 18.55 41.69 93.55 58.44 -76.40 -20.22 19.17 0.25 80.58 1.90 2.12 14.11 29.58 52.03 0.02 0.15 0.10 28 F C G 67.79 12.88 22.53 35.63 100.85 47.08 -103.55 8.08 50.01 1.87 48.12 9.30 11.23 30.74 15.20 30.97 0.19 0.81 1.55 29 A C C 19.67 16.61 12.73 29.74 117.36 129.01 -76.21 141.76 98.19 1.00 0.81 80.54 14.85 2.53 0.45 0.30 0.00 0.32 1.00 30 D C S 118.15 2.50 17.59 21.07 96.66 -149.92 -89.77 -10.75 99.52 0.32 0.16 25.27 72.59 1.72 0.05 0.08 0.00 0.12 0.16 31 T C S 72.19 3.43 16.84 21.12 123.45 76.34 -108.23 147.77 99.20 0.34 0.46 16.72 82.07 0.49 0.29 0.07 0.00 0.07 0.29 32 P H H 87.82 6.24 13.27 21.30 92.05 -117.24 -58.49 -36.40 19.22 0.08 80.70 2.71 2.78 13.86 73.50 7.02 0.04 0.03 0.05 33 A H H 67.49 2.27 18.58 20.48 91.50 57.34 -64.16 -38.03 15.98 0.10 83.92 2.51 1.63 11.69 76.63 7.40 0.04 0.06 0.05 34 G H H 10.96 12.54 15.33 29.51 92.10 51.14 -66.47 -36.27 9.27 0.18 90.55 4.36 1.23 3.86 82.49 7.89 0.01 0.12 0.05 35 L H H 25.50 18.45 15.55 33.75 91.87 54.21 -63.13 -42.18 1.60 0.02 98.39 0.74 0.20 0.63 97.87 0.55 0.00 0.01 0.00 36 E H H 108.28 2.98 24.92 27.24 91.37 50.88 -63.89 -41.33 0.51 0.01 99.48 0.16 0.05 0.26 99.33 0.20 0.00 0.00 0.00 37 V H H 60.30 6.63 23.98 31.04 91.48 49.59 -64.03 -42.37 0.32 0.00 99.67 0.06 0.02 0.18 99.58 0.15 0.00 0.00 0.00 38 A H H 1.63 25.85 16.33 42.95 91.02 50.71 -63.17 -43.25 0.23 0.00 99.77 0.03 0.01 0.14 99.68 0.14 0.00 0.00 0.00 39 K H H 76.93 15.32 21.80 35.80 91.38 52.14 -62.11 -41.78 0.43 0.00 99.57 0.04 0.02 0.31 99.27 0.37 0.00 0.00 0.00 40 T H H 83.19 2.25 26.06 27.01 91.61 50.10 -64.99 -40.34 1.51 0.00 98.49 0.06 0.06 1.35 97.70 0.83 0.00 0.00 0.00 41 L H H 35.05 14.49 20.98 35.49 92.51 48.98 -67.64 -38.18 5.87 0.01 94.12 0.12 0.24 5.81 92.81 0.99 0.02 0.00 0.01 42 C H H 2.76 25.42 14.60 40.74 95.69 43.24 -91.06 -12.38 41.75 0.20 58.05 3.38 2.37 35.07 55.30 3.57 0.06 0.08 0.18 43 V C T 73.99 11.23 18.63 30.22 92.06 84.44 -63.64 -27.19 90.79 0.11 9.10 2.05 2.15 87.07 7.14 1.45 0.00 0.04 0.09 44 S C T 87.23 1.76 21.86 22.91 95.52 46.79 -94.38 4.20 94.51 0.05 5.44 1.68 5.12 88.63 2.99 1.50 0.00 0.02 0.05 45 C C S 12.77 21.27 10.85 31.72 122.02 108.38 -82.63 148.85 98.15 0.40 1.45 31.40 65.63 0.72 1.59 0.12 0.00 0.06 0.48 46 P H H 69.35 5.28 22.87 29.36 91.58 -123.60 -62.88 -27.82 44.78 0.04 55.18 0.82 3.07 40.87 53.49 1.68 0.03 0.01 0.03 47 I H H 15.22 21.23 18.39 39.14 93.09 59.20 -71.96 -30.86 28.35 0.04 71.61 0.84 1.24 25.91 69.97 1.98 0.03 0.02 0.03 48 R H H 39.33 21.49 18.72 38.86 91.92 70.46 -60.65 -43.99 0.90 0.01 99.09 0.16 0.12 0.56 98.66 0.49 0.00 0.00 0.00 49 R H H 128.35 6.16 25.26 32.25 91.62 50.09 -63.79 -41.46 0.20 0.00 99.80 0.03 0.02 0.11 99.76 0.08 0.00 0.00 0.00 50 Q H H 80.20 7.63 26.63 34.74 91.82 48.48 -65.18 -41.06 0.08 0.00 99.92 0.01 0.01 0.05 99.90 0.03 0.00 0.00 0.00 51 C H H 2.89 24.49 20.21 44.74 91.38 49.80 -63.74 -43.64 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 52 L H H 20.49 19.60 23.12 41.81 91.20 49.65 -62.65 -42.85 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 53 A H H 46.51 4.45 26.93 31.65 91.11 49.90 -62.83 -42.70 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 A H H 15.94 10.61 22.62 34.86 91.30 50.01 -63.50 -42.83 0.13 0.00 99.87 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 55 A H H 3.61 22.20 16.00 38.82 91.49 50.67 -63.75 -43.08 0.26 0.00 99.74 0.02 0.01 0.19 99.73 0.06 0.00 0.00 0.00 56 L H H 67.43 12.16 19.28 31.32 92.22 48.86 -65.61 -39.81 0.96 0.00 99.03 0.06 0.05 0.79 98.87 0.22 0.00 0.00 0.00 57 Q H H 129.46 1.69 21.28 21.93 92.75 47.69 -68.85 -35.49 4.84 0.00 95.15 0.16 0.22 4.40 94.92 0.29 0.00 0.00 0.00 58 R H H 116.03 7.27 17.11 25.08 98.62 33.60 -98.73 -4.53 26.94 0.16 72.90 2.89 4.22 19.58 72.43 0.66 0.05 0.04 0.12 59 A C C 60.57 11.20 16.52 28.05 98.09 -136.61 55.64 43.04 96.32 1.06 2.62 48.90 12.78 35.05 1.60 0.70 0.00 0.48 0.48 60 E C C 69.94 12.62 16.15 29.07 115.12 162.20 -103.60 118.42 98.09 1.51 0.40 86.17 10.49 1.41 0.16 0.22 0.00 0.64 0.91 61 P C T 63.68 11.39 18.61 30.31 99.09 -145.93 -69.42 -14.01 97.91 0.66 1.43 30.37 26.90 40.63 0.39 1.09 0.00 0.41 0.21 62 W C T 99.70 12.87 21.78 33.85 110.84 35.78 -105.49 46.45 95.14 3.17 1.69 16.33 34.79 44.27 0.46 1.24 0.00 2.23 0.69 63 G C S 15.32 16.93 22.02 37.69 113.20 -76.88 90.54 -131.75 80.17 17.59 2.24 24.96 47.68 7.84 1.38 1.06 0.01 15.46 1.61 64 V E E 19.03 20.50 22.65 42.79 123.18 76.83 -114.97 134.79 29.52 68.73 1.75 23.70 4.49 1.10 1.57 0.65 0.01 59.62 8.86 65 W E E 31.78 20.72 24.33 43.98 126.05 -166.98 -120.95 139.42 25.58 71.44 2.98 17.98 5.45 2.85 2.43 1.22 0.02 59.99 10.06 66 G C T 12.11 19.47 24.99 43.01 100.17 -1.82 69.61 19.97 77.12 13.73 9.15 15.77 21.97 40.47 5.13 3.68 0.07 10.99 1.92 67 G C T 11.59 20.15 21.87 40.22 97.35 -44.34 76.92 -12.50 72.45 9.88 17.68 16.03 25.45 32.49 9.92 6.56 0.31 6.73 2.51 68 E C E 70.02 11.50 23.96 35.49 98.29 96.22 -74.69 -23.56 40.17 37.44 22.39 22.22 11.12 9.21 16.10 6.17 0.88 27.58 6.74 69 I E E 40.03 15.66 18.64 34.00 97.51 55.05 -84.54 -15.85 31.87 44.39 23.74 20.06 6.67 6.21 19.31 5.64 0.37 34.18 7.56 70 F C H 65.74 15.47 15.87 30.65 97.09 78.32 -74.46 -33.33 36.48 27.27 36.25 19.86 7.55 11.11 23.31 11.84 0.57 22.07 3.68 71 D C H 92.48 5.94 17.61 24.32 98.10 49.83 -77.84 -17.83 47.17 14.49 38.35 16.20 10.06 22.33 22.38 14.44 0.69 11.13 2.77 72 Q C T 112.22 5.40 16.05 22.34 97.88 43.08 -86.84 2.65 62.22 5.19 32.59 11.38 11.53 38.63 18.07 14.81 0.21 3.66 1.71 73 G C T 38.93 8.28 14.90 24.00 100.03 -92.48 85.07 4.61 73.86 9.50 16.64 21.57 17.84 35.50 9.97 5.97 0.08 7.12 1.95 74 S C C 45.53 9.80 15.33 26.32 114.62 139.34 -88.76 135.92 53.18 28.50 18.32 36.65 9.85 6.34 14.49 4.53 0.11 23.39 4.64 75 I E E 70.46 12.45 15.57 28.34 113.25 -156.36 -97.49 124.98 32.93 43.52 23.55 22.00 6.22 4.93 19.86 5.14 0.24 35.58 6.01 76 V E E 65.60 11.08 16.23 27.71 107.87 -163.38 -95.89 69.64 33.73 38.25 28.03 21.31 6.87 6.51 21.66 6.77 0.23 33.36 3.29 77 S C E 48.97 10.68 14.84 26.12 114.28 -0.42 -100.99 127.52 43.26 30.63 26.11 25.96 9.24 8.99 18.09 7.85 0.22 26.60 3.05 78 H C C 101.21 9.19 13.99 24.01 114.12 -158.71 -101.29 126.16 56.76 22.62 20.62 34.71 12.92 9.89 13.45 7.16 0.16 18.34 3.36 79 K C C 125.56 5.59 14.02 21.29 114.47 -151.29 -96.08 129.14 70.60 17.36 12.05 42.70 19.66 8.65 7.96 4.35 0.08 11.82 4.79 80 R C C 118.25 7.80 10.76 19.98 118.32 -135.79 -91.65 139.07 87.79 8.06 4.15 57.53 26.48 4.10 2.57 1.71 0.00 5.02 2.59 81 P C C 91.44 4.61 11.15 17.40 103.55 -104.99 -66.01 108.11 82.99 4.07 12.94 44.50 12.94 25.85 3.21 9.60 0.00 2.58 1.32 82 R C T 173.83 2.28 11.35 14.78 102.78 8.43 -86.07 19.82 86.38 2.08 11.54 22.99 17.90 45.75 2.73 8.53 0.00 1.16 0.93 83 G C T 46.14 4.57 11.91 17.92 111.13 -30.06 92.19 -0.23 88.75 2.46 8.79 28.59 29.06 31.27 1.74 7.05 0.00 1.31 0.97 84 R C C 128.74 5.42 12.49 19.47 117.23 -62.32 -92.34 137.08 91.12 6.37 2.51 63.35 26.61 1.56 1.65 0.88 0.00 3.07 2.89 85 P C C 67.68 7.84 12.14 21.49 111.80 -106.70 -66.53 148.44 77.57 11.98 10.45 66.73 5.28 4.73 6.74 3.96 0.01 6.36 6.21 86 R C C 129.60 7.37 11.88 20.35 106.09 -110.52 -74.96 121.70 69.32 4.95 25.73 44.50 12.19 12.70 13.20 12.49 0.01 2.79 2.11 87 K C C 133.66 4.57 11.98 18.11 102.96 -112.12 -78.43 -6.31 60.17 4.06 35.76 28.56 14.17 18.79 17.09 17.45 0.06 2.32 1.55 88 D C C 105.78 3.24 12.09 16.72 104.40 53.36 -86.72 35.47 58.76 4.05 37.20 29.43 12.50 18.12 17.44 18.64 0.06 2.37 1.45 89 A C C 64.77 6.51 9.83 17.80 105.38 112.70 -85.43 55.83 61.77 7.66 30.56 37.85 12.36 12.34 17.09 12.90 0.06 4.80 2.60 90 V C C 93.72 5.44 9.27 16.41 111.76 75.59 -90.76 119.71 74.07 8.96 16.97 62.84 3.33 7.80 12.80 4.01 0.01 5.47 3.75 91 A C C 75.65 4.27 12.30 18.15 111.10 -133.62 -82.31 127.42 99.49 0.34 0.17 99.20 0.20 0.21 0.11 0.02 0.00 0.21 0.04