# 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 V C C 87.91 7.46 10.91 19.53 113.02 -159.54 -93.82 122.66 99.80 0.16 0.04 99.71 0.12 0.06 0.01 0.00 0.00 0.08 0.03 1 S C C 82.08 2.84 10.15 14.67 112.09 -162.53 -97.03 130.12 93.68 2.03 4.29 88.42 1.54 4.74 1.13 2.17 0.00 1.27 0.75 2 T C C 102.04 2.78 8.75 13.33 110.53 -153.03 -95.31 98.86 90.40 4.24 5.36 59.16 18.78 12.27 1.04 4.60 0.00 2.71 1.43 3 L C C 121.58 3.25 8.89 13.91 106.31 -159.12 -89.13 39.30 90.14 5.97 3.89 54.86 26.45 8.75 0.87 3.15 0.00 3.56 2.36 4 I C C 106.14 4.75 9.47 16.18 116.90 104.78 -102.97 126.26 93.33 6.43 0.24 54.98 38.76 0.46 0.11 0.11 0.00 2.77 2.81 5 P C C 80.07 5.43 11.10 18.39 116.45 -110.34 -67.53 149.19 99.27 0.61 0.12 94.15 4.86 0.37 0.03 0.05 0.00 0.34 0.19 6 P C C 85.51 6.61 10.53 18.72 112.16 -103.40 -67.08 147.04 97.47 0.80 1.73 89.26 5.08 3.35 0.52 0.95 0.00 0.42 0.42 7 K C C 151.21 2.85 12.43 16.82 112.20 -129.92 -89.32 126.34 91.85 4.90 3.25 64.76 21.22 5.73 1.35 1.83 0.00 2.45 2.66 8 V C C 94.47 5.83 10.80 18.34 115.84 -154.34 -100.23 124.86 84.86 11.59 3.55 67.05 14.51 2.51 2.15 1.51 0.00 6.46 5.80 9 V C C 75.25 8.84 10.37 20.43 118.08 -162.86 -98.35 137.13 89.47 7.41 3.11 80.49 7.34 1.53 2.02 1.04 0.00 4.89 2.68 10 S C C 57.03 4.67 13.99 19.96 118.67 -139.87 -97.61 145.95 94.06 2.87 3.07 87.43 5.38 1.48 2.07 0.80 0.00 1.65 1.20 11 S C G 68.44 7.41 10.88 19.68 93.66 -125.10 -63.33 -27.37 49.51 1.06 49.44 17.54 8.60 22.81 24.56 25.32 0.04 0.55 0.59 12 K H T 154.94 1.43 14.53 16.05 93.45 64.22 -68.29 -30.26 48.18 0.93 50.89 9.50 8.10 28.87 26.04 26.34 0.10 0.46 0.58 13 N H G 87.00 5.01 12.44 18.76 97.10 52.56 -84.50 -13.21 44.57 2.04 53.39 15.46 8.44 20.27 25.30 28.40 0.08 1.07 0.99 14 I C T 74.17 10.88 9.23 20.44 100.28 82.43 -72.97 -29.36 50.87 3.57 45.56 14.72 9.81 26.08 25.08 20.03 0.42 1.72 2.15 15 G C T 52.84 3.15 13.24 17.62 98.02 47.48 -67.66 -22.30 65.67 1.69 32.64 13.80 10.95 40.60 16.33 16.23 0.09 0.87 1.12 16 S C T 86.00 1.82 12.76 15.08 98.53 57.97 -87.03 -5.68 74.79 1.61 23.60 22.48 21.68 31.79 9.18 12.98 0.03 0.67 1.20 17 A C C 49.07 7.78 8.56 17.86 116.02 94.77 -86.42 143.69 93.65 0.93 5.42 55.06 35.75 2.77 3.90 1.36 0.00 0.24 0.91 18 P C T 106.62 1.83 13.93 15.99 96.98 -116.54 -63.63 -28.12 67.10 0.38 32.51 10.50 8.01 47.67 22.16 11.14 0.02 0.18 0.33 19 N C T 93.29 4.82 13.03 19.01 98.51 45.70 -80.82 12.08 63.46 0.37 36.17 13.65 5.43 43.84 27.26 9.36 0.01 0.17 0.29 20 A H H 39.23 10.81 10.09 21.97 95.21 125.74 -65.40 -24.94 23.35 0.43 76.22 14.01 3.67 6.29 59.73 15.90 0.01 0.22 0.17 21 K H H 138.72 2.19 16.36 19.04 92.42 62.36 -65.95 -36.06 11.83 0.29 87.88 4.25 1.78 5.46 70.05 18.16 0.02 0.20 0.07 22 R H H 130.82 4.06 16.81 21.54 92.76 53.06 -69.44 -31.66 12.17 0.37 87.46 3.43 1.66 6.38 68.61 19.52 0.04 0.27 0.08 23 I H H 48.90 13.74 13.72 27.69 94.81 54.39 -77.98 -22.14 13.71 0.29 86.00 4.37 1.92 7.05 72.56 13.79 0.03 0.20 0.09 24 A H H 47.32 7.07 16.39 24.96 92.49 73.83 -61.19 -40.83 4.92 0.09 94.98 2.00 0.68 2.27 91.80 3.16 0.00 0.06 0.02 25 N H H 89.79 2.99 19.74 22.39 92.30 51.99 -66.04 -38.72 4.19 0.08 95.74 0.95 0.41 2.72 92.43 3.41 0.01 0.05 0.02 26 V H H 42.02 10.80 16.98 28.71 92.42 50.76 -65.68 -42.08 4.18 0.08 95.74 0.94 0.42 2.73 92.51 3.32 0.01 0.06 0.02 27 V H H 38.26 11.19 15.72 28.14 91.76 50.91 -63.68 -41.59 3.65 0.06 96.30 1.04 0.48 2.06 94.61 1.76 0.01 0.03 0.02 28 H H H 108.64 2.47 19.32 21.28 91.56 51.09 -64.35 -40.38 3.33 0.02 96.65 0.60 0.29 2.27 93.48 3.34 0.00 0.01 0.01 29 F H H 85.16 5.90 16.53 23.70 91.90 51.26 -64.30 -41.82 1.89 0.01 98.10 0.18 0.13 1.45 94.17 4.07 0.00 0.00 0.00 30 Y H H 66.69 14.30 13.02 27.43 92.30 49.97 -66.64 -36.41 1.95 0.01 98.04 0.15 0.13 1.54 93.48 4.69 0.00 0.00 0.00 31 K H H 136.19 3.78 15.51 20.76 91.09 56.60 -67.02 -27.56 14.15 0.02 85.84 0.42 0.62 13.35 81.70 3.88 0.01 0.01 0.01 32 S H H 89.34 1.15 16.44 16.51 94.38 50.56 -89.36 -6.29 44.51 0.04 55.45 1.14 2.49 40.39 53.00 2.90 0.02 0.01 0.04 33 L C S 48.35 15.37 7.49 22.31 117.23 104.87 -75.27 140.83 99.67 0.18 0.15 23.20 76.17 0.33 0.10 0.03 0.00 0.04 0.13 34 P C C 84.96 3.50 15.23 19.73 113.82 -104.99 -64.55 147.98 99.26 0.47 0.28 97.37 1.48 0.51 0.10 0.08 0.00 0.15 0.31 35 Q C C 128.17 5.40 11.46 19.06 112.21 -130.24 -88.80 126.81 96.29 3.28 0.44 78.34 15.74 1.15 0.18 0.21 0.00 0.77 3.62 36 G C S 34.70 4.85 13.18 19.55 133.72 -131.96 -106.51 -177.78 98.14 1.71 0.15 38.47 58.91 0.99 0.04 0.09 0.00 0.63 0.88 37 P C C 116.95 1.06 16.44 16.57 115.47 -62.02 -67.85 145.76 98.94 0.94 0.11 87.25 11.16 0.49 0.03 0.07 0.00 0.33 0.67 38 A C C 51.47 13.92 8.59 22.14 117.72 -107.63 -72.80 146.43 99.35 0.58 0.08 95.84 3.40 0.11 0.03 0.03 0.00 0.18 0.42 39 P C C 63.61 6.81 12.55 21.30 116.55 -104.79 -65.59 153.03 99.42 0.40 0.18 96.83 2.30 0.36 0.05 0.08 0.00 0.15 0.23 40 A C C 93.90 1.41 15.49 17.05 112.04 -103.74 -74.59 137.68 97.96 1.74 0.30 94.53 3.13 0.32 0.09 0.15 0.00 0.61 1.18 41 I C C 72.69 13.69 8.49 21.87 117.39 -141.93 -96.89 134.81 97.39 2.36 0.25 95.77 1.67 0.21 0.09 0.11 0.00 1.07 1.09 42 K C C 154.24 1.59 17.33 18.75 114.05 -155.04 -106.95 120.36 96.73 3.08 0.19 94.99 1.84 0.21 0.07 0.08 0.00 1.25 1.57 43 A C C 40.22 14.16 7.42 20.92 116.79 -147.27 -84.85 140.15 97.87 1.98 0.15 96.86 1.12 0.21 0.05 0.05 0.00 0.70 1.00 44 N C C 132.60 1.00 15.60 15.55 99.98 -171.51 -100.34 -19.07 99.46 0.43 0.11 51.14 48.01 0.42 0.04 0.04 0.00 0.13 0.22 45 T C S 62.18 3.38 15.19 19.43 134.34 24.76 -136.68 167.00 98.26 0.79 0.95 7.96 89.95 0.42 0.82 0.05 0.00 0.11 0.68 46 R H H 126.64 6.75 14.95 23.06 91.59 -94.97 -59.89 -38.30 2.53 0.01 97.46 0.29 0.48 1.68 96.89 0.65 0.01 0.00 0.00 47 L H H 65.25 11.02 15.08 26.74 91.89 51.74 -64.61 -40.15 1.19 0.00 98.81 0.10 0.09 0.89 98.20 0.71 0.00 0.00 0.00 48 A H H 34.61 6.86 15.98 24.80 91.67 51.41 -63.97 -40.76 0.34 0.00 99.66 0.04 0.02 0.22 99.00 0.71 0.00 0.00 0.00 49 R H H 112.99 4.77 19.31 24.66 91.98 51.00 -64.33 -41.55 0.15 0.00 99.85 0.01 0.01 0.10 99.66 0.22 0.00 0.00 0.00 50 Y H H 51.27 11.32 17.42 30.02 92.11 49.44 -64.63 -42.18 0.20 0.00 99.80 0.01 0.01 0.15 99.65 0.19 0.00 0.00 0.00 51 K H H 68.56 11.69 17.60 29.72 91.60 51.03 -63.93 -40.65 0.28 0.00 99.72 0.01 0.01 0.22 99.42 0.33 0.00 0.00 0.00 52 A H H 39.38 7.45 17.18 26.07 92.20 52.25 -64.80 -38.45 0.87 0.00 99.13 0.03 0.04 0.79 98.20 0.94 0.00 0.00 0.00 53 K H H 105.80 5.63 19.84 25.85 93.60 48.87 -70.36 -36.06 4.36 0.00 95.64 0.08 0.14 4.45 94.19 1.13 0.00 0.00 0.00 54 Y H H 75.00 11.92 15.47 27.92 102.01 30.62 -101.78 -18.70 19.25 0.05 80.71 0.57 1.23 17.88 78.95 1.28 0.05 0.01 0.04 55 F C T 76.34 12.14 13.49 25.99 109.48 44.44 -107.82 19.22 68.34 3.25 28.41 15.36 19.09 33.70 25.80 2.51 0.22 1.00 2.32 56 D C S 99.95 3.32 15.50 19.61 107.97 71.72 -105.81 67.26 86.89 4.30 8.81 30.25 32.18 25.01 5.33 2.92 0.03 1.70 2.59 57 G C S 44.56 5.15 12.22 18.67 113.09 3.38 80.08 -142.54 94.50 1.32 4.18 18.94 52.57 23.18 0.67 3.29 0.00 0.61 0.76 58 D C S 126.85 1.10 14.89 15.31 97.58 -50.15 -82.81 -13.64 95.43 0.67 3.90 8.76 59.24 28.00 0.52 2.74 0.00 0.31 0.41 59 N C S 96.67 4.52 14.00 19.84 107.09 38.18 -118.04 68.09 92.13 2.22 5.64 33.39 39.21 19.56 1.30 4.11 0.00 0.90 1.53 60 A C C 37.35 14.33 11.59 26.00 106.53 -136.37 -74.03 86.72 89.41 2.70 7.89 74.56 7.98 6.72 4.03 3.50 0.00 1.11 2.11 61 S C C 54.51 7.66 18.69 26.73 103.54 149.13 -85.03 -20.20 84.41 1.72 13.88 37.63 21.72 25.74 8.73 4.23 0.01 0.62 1.33 62 G C H 27.76 11.91 17.18 29.02 95.97 -79.14 -53.93 -20.57 62.59 1.03 36.37 20.20 19.82 23.28 32.13 3.46 0.05 0.33 0.74 63 K H H 89.49 8.56 19.17 28.31 93.73 81.12 -63.86 -41.83 7.90 0.04 92.06 4.27 1.64 1.93 91.44 0.70 0.00 0.01 0.02 64 P H H 33.55 11.31 17.34 29.73 92.14 51.25 -64.40 -40.51 2.98 0.03 96.99 1.52 0.30 1.10 96.52 0.54 0.00 0.01 0.01 65 L H H 68.58 8.63 20.01 28.94 91.61 50.96 -64.54 -41.41 0.55 0.01 99.44 0.18 0.05 0.26 99.24 0.27 0.00 0.00 0.00 66 W H H 104.37 9.24 19.88 29.23 91.94 50.69 -64.05 -42.42 0.11 0.00 99.88 0.02 0.01 0.06 99.86 0.05 0.00 0.00 0.00 67 H H H 74.70 10.19 19.62 30.17 92.01 50.53 -64.21 -41.75 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.03 0.00 0.00 0.00 68 F H H 87.91 8.54 20.57 29.48 91.97 49.29 -64.34 -42.05 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 69 A H H 41.32 8.44 20.23 28.94 91.73 49.87 -64.55 -42.34 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 70 L H H 63.56 9.08 19.84 29.52 91.83 50.58 -64.62 -41.26 0.30 0.00 99.70 0.02 0.01 0.21 99.72 0.04 0.00 0.00 0.00 71 G H H 23.82 9.39 18.82 29.02 91.80 51.87 -63.31 -42.14 0.44 0.00 99.56 0.04 0.01 0.31 99.58 0.06 0.00 0.00 0.00 72 I H H 78.67 6.73 20.87 27.94 92.01 49.25 -65.02 -41.98 0.30 0.00 99.70 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 73 I H H 72.03 8.30 20.02 28.56 91.97 49.48 -64.87 -42.02 0.38 0.00 99.62 0.04 0.02 0.24 99.59 0.11 0.00 0.00 0.00 74 A H H 41.46 8.82 18.87 28.55 92.08 50.21 -64.45 -41.51 0.67 0.00 99.33 0.06 0.03 0.46 99.25 0.20 0.00 0.00 0.00 75 F H H 96.56 6.25 20.00 26.48 92.23 48.27 -65.33 -41.13 1.59 0.00 98.41 0.13 0.08 1.19 98.23 0.35 0.00 0.00 0.00 76 G H H 24.18 7.22 17.47 25.95 92.26 51.04 -64.24 -41.25 3.03 0.01 96.96 0.35 0.20 2.18 96.68 0.58 0.00 0.00 0.00 77 Y H H 94.15 6.61 17.58 25.16 92.18 50.78 -64.67 -41.71 3.29 0.01 96.69 0.60 0.32 2.20 95.47 1.39 0.00 0.01 0.01 78 S H H 47.16 5.80 16.05 23.06 92.16 51.19 -64.50 -40.22 3.95 0.02 96.03 0.78 0.38 2.60 94.11 2.10 0.00 0.01 0.01 79 M H H 91.25 4.04 15.72 20.55 92.51 50.10 -66.62 -38.99 5.20 0.02 94.78 0.96 0.55 3.53 90.99 3.95 0.01 0.01 0.01 80 E H H 95.10 4.62 13.69 19.54 92.68 51.45 -66.71 -37.45 8.08 0.03 91.89 1.40 0.77 5.60 86.37 5.81 0.01 0.02 0.02 81 Y H H 124.97 4.36 12.05 17.83 94.49 51.57 -70.62 -33.31 16.49 0.08 83.43 2.36 1.52 12.08 75.51 8.43 0.03 0.04 0.05 82 Y H H 148.33 3.03 11.29 15.38 95.54 51.13 -74.85 -28.50 30.52 0.38 69.10 6.24 4.00 20.88 61.39 6.98 0.10 0.18 0.24 83 F C H 144.71 2.45 9.94 13.50 100.81 47.44 -91.75 -7.30 55.67 0.95 43.38 29.28 2.40 23.95 39.64 3.72 0.01 0.41 0.60 84 H C C 120.84 4.95 10.35 16.90 107.32 82.95 -88.08 81.06 99.87 0.07 0.05 99.72 0.10 0.09 0.03 0.00 0.00 0.04 0.01