# 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 132.39 2.99 9.82 14.47 112.16 -138.19 -86.29 128.21 99.87 0.10 0.02 99.77 0.11 0.05 0.01 0.00 0.00 0.05 0.02 1 I C C 135.09 1.90 7.76 11.38 111.54 -140.03 -89.64 128.31 91.70 2.51 5.79 79.63 2.63 9.48 1.25 4.31 0.00 1.49 1.21 2 N C C 124.77 1.68 7.62 10.89 112.02 -132.99 -90.64 123.84 91.75 2.96 5.29 54.95 19.85 16.52 0.73 5.06 0.00 1.59 1.30 3 A C C 86.68 2.22 7.73 11.73 109.26 -151.73 -88.02 114.55 91.84 3.23 4.93 59.45 25.07 6.97 0.93 4.17 0.00 1.54 1.88 4 N C C 116.04 2.23 8.67 12.63 117.37 -151.22 -99.50 135.13 96.75 2.21 1.05 67.13 27.82 1.83 0.39 0.61 0.00 1.00 1.22 5 P C C 91.08 4.04 8.64 14.60 112.57 -114.35 -71.48 146.27 93.69 1.61 4.70 76.12 10.78 6.83 1.77 2.71 0.00 0.83 0.96 6 G C C 45.23 3.64 10.09 15.31 113.74 -139.68 -91.19 149.35 85.93 2.87 11.20 69.33 9.54 6.39 3.87 7.47 0.00 1.25 2.16 7 F C T 152.72 2.84 9.93 14.17 96.88 -126.69 -70.11 -25.12 62.55 1.34 36.11 17.17 13.41 32.77 5.40 29.86 0.01 0.65 0.73 8 W C T 178.98 2.72 10.06 13.99 98.98 56.96 -84.29 -4.58 61.75 1.28 36.97 13.21 11.54 37.56 6.76 29.55 0.02 0.69 0.68 9 N C C 102.57 3.45 10.91 15.82 102.57 68.92 -89.54 -1.66 63.86 2.13 34.02 28.64 17.18 18.92 7.54 25.49 0.02 0.98 1.23 10 G C C 30.46 4.67 11.33 17.72 121.13 86.82 -98.69 169.50 87.59 1.06 11.35 46.03 38.67 2.24 11.20 0.84 0.00 0.24 0.79 11 P H H 89.64 2.97 12.62 16.51 94.47 -81.68 -64.07 -36.53 8.89 0.05 91.05 3.06 1.68 4.23 90.16 0.82 0.01 0.02 0.03 12 F H H 123.39 3.06 12.71 16.82 93.43 51.68 -66.29 -39.27 2.88 0.02 97.11 0.65 0.33 1.71 96.66 0.62 0.01 0.01 0.01 13 R H H 118.71 3.55 13.94 18.60 92.27 52.07 -65.04 -40.23 1.21 0.01 98.78 0.40 0.13 0.62 98.21 0.63 0.00 0.01 0.00 14 Y H H 117.44 3.26 14.35 18.61 92.27 50.76 -64.81 -40.88 0.59 0.00 99.41 0.19 0.06 0.30 99.21 0.24 0.00 0.00 0.00 15 L H H 79.91 4.71 14.52 20.49 92.17 50.48 -64.44 -41.44 0.20 0.00 99.80 0.04 0.01 0.11 99.77 0.07 0.00 0.00 0.00 16 R H H 121.61 4.00 15.61 20.55 91.97 50.48 -64.16 -41.57 0.27 0.00 99.73 0.03 0.01 0.17 99.71 0.07 0.00 0.00 0.00 17 W H H 128.24 2.83 16.56 19.64 92.17 49.38 -64.83 -41.30 0.36 0.00 99.64 0.03 0.02 0.25 99.61 0.08 0.00 0.00 0.00 18 S H H 42.52 4.49 14.78 20.88 91.89 50.39 -64.76 -39.95 0.61 0.00 99.39 0.07 0.04 0.42 99.34 0.15 0.00 0.00 0.00 19 A H H 41.15 7.28 11.79 21.03 92.16 53.16 -65.85 -37.22 2.27 0.00 97.73 0.15 0.13 1.90 97.28 0.54 0.00 0.00 0.00 20 H H H 124.92 2.85 14.40 18.04 94.04 48.46 -70.58 -35.69 5.45 0.00 94.55 0.16 0.30 5.07 93.97 0.48 0.01 0.00 0.00 21 N H H 115.14 1.45 14.71 15.54 98.03 38.24 -84.82 -30.17 10.51 0.02 89.47 0.38 1.25 8.91 89.08 0.33 0.02 0.00 0.01 22 R C C 114.66 4.26 12.66 18.49 111.14 22.29 -133.72 73.28 97.87 0.33 1.80 80.39 16.02 0.97 2.07 0.14 0.00 0.08 0.33 23 P H H 65.68 7.89 10.56 20.53 93.19 166.19 -62.10 -35.15 8.21 0.05 91.75 3.68 0.69 3.45 90.86 1.28 0.00 0.02 0.02 24 H H H 123.98 2.45 15.32 18.40 91.56 57.18 -64.46 -39.23 2.16 0.00 97.84 0.23 0.16 1.58 96.79 1.22 0.00 0.00 0.00 25 L H H 87.44 3.16 16.01 19.62 92.28 49.61 -65.94 -40.87 0.68 0.00 99.32 0.07 0.04 0.49 98.18 1.21 0.00 0.00 0.00 26 F H H 83.16 6.57 14.25 22.37 92.10 49.18 -64.43 -41.99 0.26 0.00 99.74 0.03 0.02 0.18 99.35 0.42 0.00 0.00 0.00 27 F H H 101.03 4.90 15.71 21.79 91.90 49.59 -64.62 -41.53 0.24 0.00 99.76 0.01 0.01 0.19 99.44 0.35 0.00 0.00 0.00 28 A H H 56.96 3.05 16.19 19.83 91.83 51.03 -64.43 -41.20 0.59 0.00 99.41 0.02 0.02 0.53 98.92 0.50 0.00 0.00 0.00 29 F H H 110.63 3.22 16.65 20.17 92.23 48.57 -65.69 -41.23 1.39 0.00 98.61 0.03 0.04 1.33 98.29 0.30 0.00 0.00 0.00 30 A H H 46.56 5.67 14.81 21.94 92.24 49.61 -64.99 -41.86 1.04 0.00 98.96 0.08 0.07 0.78 98.74 0.34 0.00 0.00 0.00 31 I H H 89.21 3.92 15.18 20.18 91.95 49.48 -65.08 -40.48 0.72 0.00 99.28 0.05 0.03 0.54 98.04 1.34 0.00 0.00 0.00 32 G H H 41.85 2.83 14.90 18.38 92.40 52.49 -65.81 -38.60 2.93 0.00 97.07 0.09 0.09 2.68 94.17 2.96 0.00 0.00 0.00 33 I H H 110.49 2.55 15.22 17.89 94.33 48.30 -75.94 -30.67 9.41 0.01 90.58 0.23 0.34 9.00 87.42 2.99 0.01 0.00 0.00 34 A H H 56.45 5.04 13.06 19.48 97.05 47.37 -85.21 -21.90 19.28 0.12 80.60 1.76 2.64 15.00 78.35 2.05 0.06 0.04 0.09 35 G H H 33.65 5.14 13.40 20.02 103.89 91.57 -51.11 -74.78 36.99 0.35 62.66 24.68 6.21 7.31 54.59 6.87 0.01 0.16 0.18 36 P H H 89.49 2.41 14.10 16.81 93.64 28.78 -66.48 -34.59 17.97 0.20 81.83 4.45 2.26 10.83 69.98 12.25 0.04 0.13 0.07 37 V H H 90.80 2.49 14.26 17.09 93.22 51.70 -66.67 -38.49 8.73 0.22 91.06 1.99 1.04 5.33 78.38 13.01 0.03 0.17 0.05 38 A H H 52.93 4.79 12.30 18.81 93.27 52.73 -65.69 -37.93 4.90 0.12 94.99 1.49 0.63 2.60 83.82 11.35 0.01 0.08 0.02 39 A H H 64.51 3.52 13.03 17.78 92.82 53.51 -66.19 -37.11 4.99 0.07 94.94 0.74 0.43 3.55 84.10 11.09 0.02 0.05 0.02 40 L H H 112.69 1.79 14.42 16.16 94.14 47.67 -71.64 -33.41 12.03 0.05 87.92 0.50 0.61 10.79 79.09 8.92 0.04 0.03 0.02 41 T H H 76.19 2.94 14.24 17.84 96.49 44.65 -78.69 -32.43 20.58 0.07 79.36 0.76 1.25 18.92 73.22 5.70 0.06 0.03 0.04 42 L H H 77.86 4.38 13.22 19.13 93.45 57.22 -65.13 -41.69 11.25 0.11 88.64 4.25 3.46 3.70 87.47 1.04 0.01 0.03 0.05 43 T H H 59.24 4.21 13.49 19.27 92.58 52.39 -64.37 -41.55 4.28 0.02 95.70 2.13 0.51 1.48 94.96 0.91 0.00 0.01 0.01 44 P H H 68.91 2.69 14.62 17.97 91.85 50.78 -63.90 -40.03 2.54 0.02 97.44 0.88 0.24 1.32 96.37 1.17 0.00 0.01 0.01 45 L H H 89.03 2.26 14.55 17.01 92.11 49.92 -64.97 -41.15 1.16 0.01 98.83 0.28 0.11 0.71 97.67 1.22 0.00 0.01 0.00 46 R H H 106.41 4.15 12.17 17.89 92.20 50.83 -65.31 -39.62 1.15 0.01 98.84 0.22 0.10 0.76 97.59 1.33 0.00 0.00 0.00 47 R H H 135.13 3.29 11.96 16.51 92.23 51.33 -65.36 -38.51 2.18 0.01 97.81 0.18 0.13 1.78 95.80 2.10 0.01 0.00 0.00 48 K H H 145.76 1.40 12.09 13.70 92.54 52.26 -67.89 -32.01 7.91 0.01 92.08 0.23 0.28 7.63 89.72 2.12 0.01 0.00 0.01 49 Y C T 163.20 1.47 10.94 12.73 97.98 42.61 -92.03 -2.90 68.93 0.04 31.03 0.48 1.44 67.14 28.70 2.17 0.00 0.01 0.05 50 L C T 123.88 2.09 10.01 13.16 102.87 -45.82 -91.60 12.42 90.82 0.07 9.11 3.08 2.76 84.68 8.52 0.89 0.00 0.02 0.05 51 Y C C 129.04 4.29 7.23 13.55 114.56 124.80 -92.70 129.55 97.50 1.10 1.40 80.69 14.54 1.88 0.62 0.71 0.00 0.35 1.22 52 P C C 104.34 2.07 10.27 13.61 110.81 -126.52 -76.06 138.38 96.62 0.61 2.76 60.18 21.67 14.26 0.38 2.84 0.00 0.29 0.37 53 D C C 119.20 1.81 10.20 13.14 108.40 -94.54 -82.88 105.38 96.69 0.68 2.63 71.24 15.49 9.35 0.40 2.73 0.00 0.31 0.48 54 H C C 120.88 5.28 7.34 14.32 114.42 -144.07 -91.26 133.13 98.43 0.79 0.78 87.66 9.61 1.00 0.24 0.47 0.00 0.28 0.73 55 S C C 77.98 2.19 10.46 13.81 117.09 -110.29 -77.80 149.31 99.57 0.34 0.09 93.08 6.29 0.23 0.03 0.04 0.00 0.13 0.21 56 P C C 114.01 1.60 11.00 13.65 113.58 -98.84 -67.96 145.79 98.67 1.18 0.15 94.83 3.47 0.21 0.06 0.06 0.00 0.31 1.07 57 L C C 105.24 5.88 6.93 14.46 115.86 -105.21 -74.80 142.08 99.21 0.47 0.32 92.97 5.78 0.45 0.09 0.18 0.00 0.16 0.37 58 P C C 88.69 3.64 8.69 14.22 112.65 -104.11 -67.28 146.48 97.38 0.65 1.96 87.56 5.19 4.40 0.32 1.78 0.00 0.28 0.47 59 Q C S 158.28 0.77 9.15 10.23 98.91 -149.15 -84.83 -12.25 94.54 2.65 2.81 35.69 40.86 17.73 0.36 2.68 0.00 1.17 1.52 60 S C C 88.31 1.16 9.41 11.34 125.23 34.32 -130.71 152.13 88.27 8.71 3.03 37.48 34.63 16.33 0.48 2.80 0.00 4.25 4.03 61 Y C C 158.81 3.46 6.70 12.27 120.23 -136.25 -112.56 136.54 93.11 6.56 0.33 56.39 36.30 1.11 0.09 0.23 0.00 3.56 2.32 62 P C C 113.41 1.24 9.54 11.58 113.53 -101.19 -70.72 144.62 95.81 3.94 0.25 75.72 18.69 1.52 0.07 0.21 0.00 2.07 1.73 63 L C C 127.88 2.51 6.75 11.45 116.80 -125.78 -91.33 137.10 96.94 2.87 0.19 76.62 19.86 0.56 0.07 0.11 0.00 1.15 1.63 64 P C C 88.47 3.48 7.27 12.86 114.81 -106.41 -67.00 148.89 97.29 1.54 1.17 89.77 5.28 2.23 0.37 0.69 0.00 0.69 0.97 65 Q C S 165.05 0.42 9.32 8.94 98.26 -138.17 -82.81 -10.79 96.93 0.79 2.28 31.32 61.14 4.85 0.72 1.14 0.00 0.31 0.52 66 R C S 169.05 1.05 8.74 10.61 124.37 64.34 -112.66 151.14 93.73 2.12 4.15 30.40 59.96 4.03 1.71 1.74 0.00 0.86 1.31 67 A C C 88.04 1.81 8.73 12.00 114.08 -99.87 -67.76 145.57 90.96 3.22 5.82 84.89 4.05 2.67 2.55 2.53 0.00 1.53 1.78 68 R C C 150.03 4.56 6.08 12.50 113.87 -114.61 -80.81 138.63 86.77 4.60 8.63 77.03 6.46 3.39 4.29 3.83 0.00 2.15 2.86 69 E C C 156.99 1.08 9.74 11.32 109.17 -135.73 -85.94 128.49 85.69 3.73 10.58 65.65 15.35 4.87 5.19 5.07 0.00 2.00 1.87 70 Q C C 143.35 1.47 9.20 11.97 113.16 -106.19 -84.74 131.30 86.11 3.49 10.40 67.82 13.13 5.29 4.83 5.29 0.00 1.92 1.73 71 L C C 109.51 4.44 6.42 12.72 110.93 -145.01 -88.10 126.78 89.59 3.46 6.95 74.70 9.28 5.53 2.89 3.82 0.00 1.84 1.95 72 T C C 108.76 1.33 9.35 11.70 116.77 -141.43 -103.10 137.02 90.99 3.39 5.62 48.15 23.03 20.14 1.69 3.57 0.00 1.60 1.82 73 G C S 54.99 1.81 9.94 12.69 108.75 13.16 82.82 -42.42 91.54 2.77 5.68 32.59 33.04 26.27 1.05 4.38 0.00 1.32 1.35 74 F C C 138.84 3.50 7.46 12.58 103.33 39.67 -87.26 2.56 80.73 3.93 15.35 43.72 17.54 19.22 2.33 13.21 0.00 1.86 2.11 75 D C C 109.88 2.04 7.83 11.35 104.10 83.29 -85.27 25.33 82.28 2.66 15.06 33.21 17.68 31.34 1.93 13.30 0.00 1.30 1.24 76 D C C 108.61 2.40 7.23 11.30 104.88 73.58 -87.54 43.27 85.61 1.49 12.90 57.85 5.54 22.73 2.21 10.11 0.00 0.84 0.73 77 E C C 140.76 2.35 9.95 13.80 105.80 106.32 -82.07 71.65 99.78 0.08 0.14 99.45 0.22 0.20 0.05 0.02 0.00 0.04 0.02