# 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 127.08 3.86 10.08 15.88 115.75 -147.83 -91.91 135.38 99.80 0.18 0.03 99.72 0.12 0.05 0.01 0.00 0.00 0.08 0.03 1 A C C 84.67 2.33 8.73 12.84 113.90 -132.52 -86.37 140.38 91.74 2.64 5.62 86.48 1.43 4.77 1.52 3.09 0.00 1.49 1.22 2 S C C 84.75 2.80 7.52 12.31 115.07 -129.15 -92.70 139.67 86.64 4.10 9.26 58.15 12.48 15.08 1.35 8.90 0.00 2.44 1.61 3 S C C 87.00 2.19 8.47 12.41 113.01 -159.20 -101.56 132.57 86.87 4.72 8.42 44.60 20.07 22.01 1.05 7.99 0.00 2.81 1.46 4 T C C 110.69 1.86 8.51 11.96 110.71 -140.86 -95.26 113.93 87.98 6.73 5.28 45.71 25.00 17.38 0.77 5.01 0.00 4.17 1.97 5 V C C 100.62 3.29 8.01 13.36 118.56 158.61 -103.56 133.81 89.08 10.29 0.63 59.78 29.25 1.12 0.28 0.36 0.00 6.04 3.17 6 P C C 104.38 2.14 9.66 13.51 113.64 -109.79 -69.49 144.61 87.66 10.67 1.66 76.64 8.17 2.55 0.70 0.95 0.00 8.00 3.00 7 V C C 114.33 3.13 7.81 12.87 109.21 -134.94 -87.43 125.11 78.44 13.01 8.55 52.99 16.74 8.57 3.84 4.77 0.04 7.74 5.32 8 S C C 82.89 2.32 9.30 13.09 113.34 -147.85 -95.74 130.29 80.98 9.37 9.65 56.85 13.96 9.92 3.93 5.86 0.01 5.84 3.63 9 A C C 86.66 2.34 8.69 12.72 104.80 -145.35 -84.75 9.15 77.02 4.91 18.08 35.87 18.64 23.75 5.19 11.83 0.02 2.57 2.13 10 A C T 87.24 1.87 9.16 12.33 107.91 59.89 -87.28 82.19 80.82 2.82 16.37 26.20 20.72 34.88 4.56 10.76 0.02 1.39 1.47 11 G C C 48.96 3.82 9.35 14.73 114.85 49.79 -98.29 162.87 81.73 3.79 14.48 34.27 24.20 24.04 3.22 10.55 0.01 1.78 1.92 12 S C C 77.81 3.36 10.21 14.98 113.31 -91.17 -89.79 136.61 80.91 5.41 13.68 51.71 14.38 14.22 3.39 10.85 0.00 2.85 2.60 13 A C C 78.58 3.79 9.14 14.69 106.23 -121.89 -79.41 78.23 80.52 5.32 14.16 33.96 18.46 28.93 2.82 10.76 0.01 2.75 2.32 14 N C C 123.30 2.14 10.36 13.82 102.84 51.94 -86.10 39.39 84.86 3.81 11.33 34.65 22.07 28.54 1.90 9.31 0.00 1.96 1.57 15 E C C 126.82 3.20 9.61 14.67 114.71 137.43 -90.51 136.95 90.23 4.33 5.44 55.42 28.69 5.97 1.40 3.99 0.00 1.93 2.61 16 T C C 98.14 3.00 9.90 14.80 116.60 -121.23 -89.29 136.79 96.63 2.70 0.67 78.44 17.06 1.12 0.23 0.43 0.00 1.30 1.43 17 P C C 86.40 5.80 8.95 16.53 113.15 -108.10 -69.84 148.64 97.11 1.85 1.05 82.87 10.34 3.81 0.23 0.88 0.00 1.07 0.80 18 E C C 154.41 1.31 12.88 14.67 113.71 -115.21 -85.01 136.69 95.60 3.58 0.82 80.11 12.86 2.22 0.24 0.64 0.00 1.56 2.37 19 I C C 94.31 8.81 7.77 17.59 115.90 -120.01 -85.95 135.25 98.70 1.15 0.15 90.20 8.39 0.18 0.08 0.05 0.00 0.44 0.66 20 P C C 67.10 5.24 10.01 17.37 113.48 -106.69 -65.52 150.32 98.80 0.50 0.71 97.35 1.12 0.56 0.38 0.13 0.00 0.15 0.31 21 D C T 129.11 0.78 12.27 12.57 97.16 -110.37 -66.18 -28.70 80.59 0.20 19.21 4.64 15.76 59.65 17.15 2.52 0.01 0.07 0.19 22 N C T 105.37 2.70 11.18 14.95 97.42 46.81 -79.59 -4.23 72.19 0.36 27.45 7.56 8.91 54.17 26.35 2.57 0.02 0.13 0.28 23 V H H 66.40 6.21 11.06 19.06 94.03 78.64 -66.56 -38.74 6.18 0.06 93.76 2.52 0.93 2.73 91.95 1.82 0.00 0.03 0.02 24 G H H 32.52 4.55 12.92 19.21 92.37 54.02 -63.36 -41.50 2.14 0.02 97.84 0.61 0.26 1.18 96.40 1.55 0.00 0.01 0.00 25 D H H 92.28 1.79 15.50 16.95 92.50 50.61 -65.70 -39.58 0.97 0.01 99.02 0.26 0.11 0.54 97.81 1.28 0.00 0.01 0.00 26 W H H 133.71 3.29 14.41 18.58 92.58 50.69 -65.67 -41.10 0.80 0.01 99.20 0.16 0.07 0.48 98.29 0.99 0.00 0.00 0.00 27 L H H 80.77 4.54 14.29 20.19 92.27 49.89 -64.91 -40.96 1.01 0.01 98.99 0.17 0.07 0.66 98.27 0.83 0.00 0.00 0.00 28 R H H 133.22 2.62 15.60 18.60 92.17 51.05 -64.95 -39.86 2.41 0.01 97.58 0.25 0.15 1.86 96.50 1.23 0.00 0.00 0.00 29 G H H 37.10 2.77 14.83 18.14 92.46 51.66 -64.69 -40.72 6.84 0.02 93.13 0.53 0.46 5.74 91.52 1.72 0.02 0.01 0.01 30 V H H 80.87 3.40 14.44 18.68 92.77 49.93 -66.87 -39.94 9.51 0.10 90.39 1.27 1.02 7.17 87.31 3.10 0.04 0.05 0.04 31 Y H H 124.99 3.72 13.61 18.43 93.96 50.71 -68.40 -38.02 14.58 0.44 84.98 4.37 2.40 8.39 76.70 7.60 0.09 0.26 0.18 32 R H H 144.34 2.45 13.72 16.81 94.72 58.41 -68.13 -31.94 23.67 0.68 75.65 6.00 3.17 14.70 65.01 10.28 0.13 0.43 0.28 33 F H H 125.21 3.31 11.90 16.41 99.22 54.25 -77.47 -19.06 29.51 1.04 69.45 9.16 5.23 16.24 57.32 10.78 0.18 0.58 0.49 34 A H H 67.54 3.69 10.93 16.16 100.59 67.54 -76.99 -14.19 43.59 1.49 54.92 18.55 8.15 18.57 46.08 7.09 0.10 0.75 0.72 35 T C H 96.95 2.28 11.65 14.76 101.37 62.61 -83.34 -15.41 60.55 1.55 37.90 17.76 16.75 27.44 30.56 5.87 0.12 0.65 0.87 36 D C C 86.13 3.22 11.37 15.89 109.92 60.74 -92.20 101.67 78.33 1.28 20.40 47.33 18.27 12.11 17.20 3.81 0.00 0.49 0.78 37 R H H 155.76 2.94 10.99 15.50 95.78 -156.99 -66.42 -29.59 34.99 0.37 64.64 12.66 7.40 15.79 58.36 5.39 0.03 0.16 0.21 38 N H H 108.57 1.57 13.07 14.58 94.82 57.02 -69.34 -36.18 27.86 0.20 71.94 6.61 4.44 17.06 66.85 4.80 0.04 0.10 0.12 39 D H H 74.69 3.38 12.48 17.06 94.75 52.95 -68.31 -36.84 17.91 0.25 81.85 7.62 2.95 8.11 76.87 4.19 0.02 0.12 0.13 40 F H H 102.32 4.32 12.12 18.06 93.16 53.99 -65.53 -40.22 5.78 0.09 94.13 2.97 0.97 2.21 92.29 1.46 0.00 0.04 0.05 41 R H H 137.67 2.13 14.65 17.06 92.26 51.80 -64.95 -40.57 2.20 0.04 97.77 0.92 0.31 1.05 96.87 0.82 0.00 0.02 0.01 42 R H H 133.99 1.90 15.38 17.07 92.40 50.71 -65.08 -40.86 1.23 0.02 98.75 0.44 0.16 0.64 98.07 0.67 0.00 0.01 0.01 43 N H H 77.83 3.76 14.22 19.15 92.72 50.32 -65.67 -40.38 1.05 0.02 98.93 0.32 0.12 0.60 98.31 0.63 0.00 0.02 0.00 44 L H H 86.34 3.68 14.22 19.06 92.38 50.94 -65.25 -40.53 1.23 0.03 98.74 0.26 0.11 0.79 98.05 0.75 0.00 0.03 0.01 45 I H H 105.39 1.96 15.40 17.14 92.51 49.14 -66.09 -40.27 2.30 0.08 97.62 0.34 0.18 1.67 96.80 0.92 0.01 0.06 0.02 46 L H H 101.61 2.05 15.42 17.32 93.20 49.73 -68.16 -39.29 8.28 0.07 91.65 0.56 0.49 7.04 90.78 1.04 0.02 0.03 0.03 47 N H H 79.09 4.65 14.53 20.25 95.58 49.55 -71.73 -35.44 24.51 0.14 75.35 2.28 1.79 19.79 74.66 1.31 0.03 0.06 0.08 48 L H H 90.66 3.96 15.20 20.02 93.00 55.50 -64.83 -39.66 6.55 0.03 93.42 1.46 0.89 4.01 92.60 1.00 0.01 0.01 0.02 49 G H H 38.04 3.10 16.03 19.69 92.49 52.19 -64.40 -40.75 3.06 0.01 96.92 0.68 0.32 1.90 95.95 1.13 0.00 0.01 0.01 50 L H H 91.85 3.00 16.38 19.73 92.53 49.64 -65.76 -40.96 1.63 0.01 98.35 0.40 0.16 0.98 97.33 1.11 0.00 0.01 0.00 51 F H H 110.13 3.69 16.28 20.62 92.48 49.70 -65.56 -41.30 1.32 0.02 98.66 0.32 0.13 0.80 97.93 0.79 0.00 0.01 0.01 52 A H H 54.98 3.31 16.42 20.28 92.40 50.01 -64.66 -41.13 1.21 0.01 98.78 0.27 0.11 0.73 98.49 0.38 0.00 0.01 0.00 53 A H H 54.78 2.99 16.67 20.09 92.35 51.16 -64.76 -40.82 1.20 0.00 98.79 0.21 0.10 0.75 98.68 0.26 0.00 0.00 0.00 54 G H H 32.39 4.03 15.76 20.95 92.10 51.57 -64.52 -40.56 1.54 0.00 98.46 0.22 0.09 1.04 98.40 0.25 0.00 0.00 0.00 55 V H H 76.02 3.38 15.64 19.67 92.40 50.09 -65.12 -41.50 0.87 0.00 99.12 0.15 0.06 0.56 98.95 0.28 0.00 0.00 0.00 56 W H H 140.22 2.58 15.46 18.41 92.47 50.88 -64.41 -41.92 0.83 0.01 99.16 0.15 0.06 0.53 98.75 0.51 0.00 0.00 0.00 57 L H H 94.80 2.50 14.70 17.67 92.70 49.85 -65.73 -40.10 1.84 0.01 98.15 0.24 0.11 1.33 97.50 0.81 0.00 0.00 0.00 58 A H H 61.08 2.97 13.30 17.29 92.89 51.15 -67.43 -36.50 6.45 0.03 93.52 0.73 0.49 5.02 92.25 1.47 0.01 0.01 0.01 59 R H H 145.55 2.86 13.46 17.12 95.06 55.19 -70.56 -31.81 30.46 0.19 69.35 3.26 3.00 24.13 66.49 2.87 0.06 0.07 0.12 60 N C H 97.77 3.31 12.35 16.75 100.18 52.15 -83.50 4.56 53.97 0.67 45.36 16.45 4.71 32.16 41.74 4.21 0.02 0.31 0.39 61 L C H 107.97 3.35 10.61 15.48 98.56 90.93 -77.19 -18.78 50.05 1.84 48.11 23.59 8.42 19.16 34.97 11.86 0.07 0.87 1.06 62 S C H 73.93 2.70 11.44 15.30 100.96 70.85 -81.92 -5.61 53.78 1.56 44.66 21.92 10.50 22.35 30.53 13.04 0.07 0.75 0.85 63 D C C 93.96 3.38 11.08 15.77 100.43 67.58 -81.22 4.24 56.59 1.38 42.02 29.45 11.38 16.35 28.11 13.31 0.03 0.64 0.73 64 I H H 103.00 4.02 9.92 15.63 98.29 97.98 -75.33 -24.31 44.64 1.89 53.47 25.35 9.11 10.61 35.77 17.31 0.04 0.98 0.82 65 D H H 104.43 2.47 10.80 14.63 95.74 71.42 -69.17 -20.98 36.05 2.15 61.80 18.81 5.75 11.01 33.90 28.50 0.04 1.35 0.64 66 L H H 121.72 2.16 10.21 13.60 96.21 64.30 -78.43 -15.34 40.56 2.61 56.83 11.26 7.45 20.73 29.73 28.07 0.22 1.54 1.00 67 M C T 136.02 1.98 10.20 13.21 100.24 57.74 -92.22 0.70 48.96 6.89 44.15 15.06 11.06 23.73 21.73 20.84 0.81 3.78 3.00 68 A C S 67.41 3.99 8.17 14.30 118.16 107.04 -84.86 143.43 95.27 3.91 0.82 37.15 57.42 1.35 0.49 0.27 0.00 1.72 1.59 69 P C C 104.94 2.16 9.04 12.94 113.76 -104.31 -67.52 146.55 95.22 4.22 0.57 81.29 11.96 1.90 0.20 0.37 0.00 2.27 2.01 70 Q C C 137.78 2.13 7.98 12.09 114.24 -109.77 -84.30 135.40 97.39 2.08 0.53 82.87 12.64 1.71 0.16 0.38 0.00 0.97 1.27 71 P C C 114.18 1.66 7.63 10.99 110.09 -104.17 -66.34 141.00 97.63 0.80 1.57 44.67 13.87 39.07 0.23 1.43 0.00 0.42 0.31 72 G C C 63.69 0.91 9.11 10.52 106.19 -37.56 72.89 7.73 97.40 1.11 1.49 58.24 5.44 33.88 0.26 1.07 0.00 0.70 0.41 73 V C C 110.36 3.08 9.11 13.89 105.61 79.08 -87.39 41.60 99.53 0.42 0.04 99.18 0.37 0.11 0.01 0.01 0.00 0.23 0.09