# 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 G C C 34.06 7.41 13.57 22.12 127.52 -133.09 -89.90 174.09 99.97 0.02 0.01 99.69 0.26 0.03 0.01 0.00 0.00 0.01 0.00 1 P C C 92.05 3.66 13.16 17.92 106.05 -53.70 -70.57 142.92 73.69 0.24 26.07 60.82 1.14 9.69 26.76 1.37 0.00 0.09 0.13 2 G C H 46.28 3.26 13.30 17.43 100.52 -12.20 -63.11 -41.52 53.54 0.31 46.16 33.70 5.29 12.99 45.65 2.06 0.00 0.10 0.19 3 M H H 86.01 9.15 12.30 22.24 94.61 42.36 -66.43 -37.47 12.11 0.09 87.79 5.77 2.31 4.43 85.31 2.09 0.00 0.04 0.04 4 A H H 52.99 6.60 14.29 22.24 93.00 55.33 -64.82 -40.05 4.76 0.04 95.20 2.03 0.75 1.99 93.66 1.53 0.00 0.02 0.01 5 A H H 57.17 2.35 16.82 19.07 92.10 51.56 -64.69 -40.71 2.87 0.03 97.10 1.25 0.41 1.23 95.98 1.11 0.00 0.01 0.01 6 F H H 80.16 6.25 16.60 24.23 92.27 50.44 -64.79 -42.66 1.21 0.01 98.78 0.46 0.15 0.54 98.36 0.49 0.00 0.00 0.00 7 V H H 32.80 14.50 14.56 29.60 92.20 50.07 -64.71 -41.82 0.88 0.01 99.11 0.28 0.09 0.42 98.90 0.29 0.00 0.00 0.00 8 K H H 113.64 4.23 18.67 23.61 91.79 50.57 -64.43 -40.92 1.50 0.01 98.49 0.36 0.13 0.86 98.28 0.36 0.00 0.00 0.00 9 E H H 106.60 2.21 20.17 21.32 91.80 50.04 -65.01 -41.27 3.96 0.01 96.03 0.50 0.32 2.82 95.94 0.41 0.00 0.00 0.01 10 N H H 43.53 11.42 17.15 29.46 92.43 48.39 -66.77 -38.64 9.74 0.01 90.25 1.68 0.67 6.28 90.99 0.36 0.00 0.00 0.01 11 H H H 52.26 16.30 16.20 32.03 91.91 55.53 -62.91 -41.44 1.11 0.00 98.89 0.28 0.07 0.53 98.95 0.15 0.00 0.00 0.00 12 R H H 137.79 2.90 20.90 23.81 91.65 51.36 -64.05 -41.19 0.26 0.00 99.74 0.04 0.02 0.14 99.71 0.09 0.00 0.00 0.00 13 Q H H 92.50 3.61 21.43 24.69 91.81 49.97 -64.66 -41.62 0.22 0.00 99.77 0.03 0.01 0.13 99.71 0.12 0.00 0.00 0.00 14 L H H 16.23 18.92 15.94 35.01 92.03 50.16 -64.42 -42.12 0.34 0.00 99.66 0.04 0.02 0.22 99.55 0.18 0.00 0.00 0.00 15 Q H H 53.14 14.68 16.98 31.60 91.61 51.42 -64.21 -38.71 0.94 0.00 99.06 0.07 0.05 0.70 98.72 0.47 0.00 0.00 0.00 16 A H H 74.73 2.07 20.86 22.12 91.79 53.53 -66.78 -33.87 8.03 0.01 91.97 0.24 0.29 7.52 90.35 1.59 0.01 0.00 0.00 17 R H H 119.57 7.26 18.69 26.39 94.05 51.44 -77.68 -24.56 22.99 0.03 76.98 0.92 1.09 20.80 75.18 1.96 0.02 0.01 0.02 18 M C H 29.47 21.23 12.35 32.27 99.79 68.62 -81.15 -9.53 51.23 0.80 47.96 23.05 8.96 20.69 42.19 4.21 0.03 0.28 0.58 19 G C C 41.78 5.92 20.04 26.67 103.54 126.54 -22.69 -70.18 81.76 1.16 17.08 36.02 14.11 32.44 11.15 5.14 0.01 0.53 0.61 20 D C C 86.21 5.60 21.35 27.26 107.67 18.09 -103.18 96.23 84.04 0.85 15.11 44.00 13.33 27.29 9.53 4.95 0.00 0.37 0.53 21 L H H 14.12 24.31 13.37 37.07 95.28 174.49 -73.83 -25.47 41.29 0.37 58.34 30.56 6.13 5.25 55.30 2.42 0.00 0.11 0.22 22 K H H 111.29 8.64 20.55 30.13 92.10 70.62 -60.81 -41.05 8.36 0.03 91.61 2.48 1.21 4.26 90.91 1.11 0.00 0.01 0.01 23 G H H 29.01 4.67 22.88 27.93 91.77 51.20 -64.40 -40.32 5.56 0.03 94.41 1.48 0.63 3.25 93.45 1.17 0.01 0.01 0.01 24 V H H 8.80 20.69 19.60 40.24 91.96 50.07 -64.37 -43.65 1.49 0.01 98.50 0.45 0.17 0.76 98.07 0.55 0.00 0.01 0.00 25 L H H 7.90 22.86 18.90 41.58 91.27 50.04 -63.09 -42.75 0.49 0.00 99.51 0.13 0.04 0.22 99.48 0.13 0.00 0.00 0.00 26 D H H 71.18 4.48 24.20 28.61 91.50 51.10 -63.35 -41.69 0.29 0.00 99.71 0.05 0.02 0.15 99.71 0.08 0.00 0.00 0.00 27 D H H 49.29 8.13 21.76 30.74 91.82 49.87 -64.81 -41.45 0.26 0.00 99.74 0.02 0.01 0.16 99.72 0.08 0.00 0.00 0.00 28 L H H 5.22 22.76 14.80 38.04 91.99 50.11 -64.37 -42.54 0.40 0.00 99.60 0.04 0.02 0.27 99.49 0.17 0.00 0.00 0.00 29 Q H H 72.70 11.95 17.31 29.40 92.03 50.46 -64.17 -41.23 1.11 0.00 98.88 0.07 0.05 0.89 98.69 0.29 0.00 0.00 0.00 30 D H H 112.62 1.39 19.24 19.71 91.19 51.59 -65.41 -31.74 7.87 0.01 92.12 0.16 0.27 7.61 91.64 0.31 0.01 0.00 0.00 31 N C T 68.64 8.82 14.54 24.84 93.41 49.88 -89.83 3.35 93.56 0.01 6.42 0.28 1.96 90.87 6.61 0.26 0.00 0.00 0.02 32 E C T 144.58 2.90 19.62 23.45 93.25 -120.98 61.08 34.35 99.64 0.01 0.35 0.41 2.42 96.92 0.20 0.05 0.00 0.00 0.00 33 V C S 19.38 18.25 16.12 34.89 95.82 134.91 -83.30 -25.99 99.27 0.62 0.11 27.76 70.85 0.73 0.06 0.03 0.00 0.17 0.40 34 L C S 8.49 23.31 11.83 35.10 129.87 35.53 -127.91 147.56 98.76 1.20 0.04 22.05 76.75 0.15 0.02 0.01 0.00 0.20 0.82 35 T C C 61.41 4.06 20.79 24.68 124.44 -126.89 -84.42 167.25 99.81 0.16 0.03 99.51 0.33 0.02 0.01 0.00 0.00 0.05 0.07 36 E H H 134.29 3.65 15.22 20.66 91.23 -101.01 -58.67 -38.20 1.78 0.00 98.22 0.28 0.27 0.99 97.99 0.47 0.00 0.00 0.00 37 N H H 113.31 1.21 19.17 18.78 91.31 51.98 -64.46 -39.93 1.12 0.00 98.87 0.11 0.08 0.81 98.35 0.65 0.00 0.00 0.00 38 E H H 36.01 15.07 14.77 30.29 92.04 48.74 -66.39 -39.59 0.57 0.00 99.43 0.11 0.04 0.35 98.86 0.64 0.00 0.00 0.00 39 K H H 53.06 16.56 14.87 31.04 91.49 53.23 -62.08 -42.60 0.21 0.00 99.79 0.04 0.01 0.11 99.72 0.12 0.00 0.00 0.00 40 E H H 103.98 1.95 22.32 22.50 91.48 50.24 -63.46 -41.32 0.27 0.00 99.73 0.02 0.01 0.19 99.66 0.12 0.00 0.00 0.00 41 L H H 69.00 5.32 20.46 26.50 91.61 50.04 -64.58 -41.25 0.45 0.00 99.55 0.03 0.02 0.34 99.08 0.53 0.00 0.00 0.00 42 V H H 4.84 23.69 12.39 36.19 91.45 50.67 -64.53 -40.84 0.96 0.00 99.04 0.06 0.05 0.75 97.88 1.27 0.00 0.00 0.00 43 E H H 102.06 8.85 18.37 27.83 91.37 54.77 -66.70 -26.63 10.24 0.00 89.75 0.24 0.31 9.72 88.71 1.00 0.00 0.00 0.00 44 Q H H 134.28 1.35 18.81 18.81 93.36 56.64 -84.29 -8.98 49.86 0.03 50.11 1.86 2.50 43.75 50.24 1.61 0.00 0.01 0.03 45 E C C 58.01 14.56 8.66 23.01 114.86 100.53 -79.82 135.74 95.36 0.18 4.46 70.58 19.81 4.50 4.24 0.60 0.00 0.04 0.23 46 K C C 164.03 1.52 16.16 17.68 99.36 -154.67 -83.38 -14.78 97.67 0.23 2.09 77.41 16.13 4.10 1.45 0.57 0.00 0.07 0.27 47 T C S 63.12 6.77 12.73 21.04 120.00 76.87 -101.59 148.00 96.35 0.55 3.10 40.68 51.51 4.13 2.28 0.69 0.00 0.13 0.58 48 R H H 135.11 6.87 15.45 23.38 96.91 -127.39 -65.90 -38.94 34.79 0.23 64.97 8.43 20.29 7.24 62.34 1.44 0.03 0.05 0.19 49 Q H H 98.01 7.57 16.70 25.01 92.84 51.05 -64.56 -40.84 14.54 0.04 85.42 2.36 2.85 8.89 84.10 1.75 0.02 0.01 0.03 50 S H H 54.45 4.34 19.72 24.37 92.66 48.94 -65.83 -39.47 13.37 0.06 86.57 5.15 1.75 6.71 84.28 2.05 0.00 0.02 0.04 51 K H H 58.18 12.53 18.25 31.20 92.05 51.80 -64.23 -41.53 1.71 0.00 98.29 0.73 0.22 0.66 97.97 0.42 0.00 0.00 0.00 52 N H H 18.59 20.02 18.42 38.11 91.83 50.87 -64.05 -41.52 0.71 0.00 99.28 0.22 0.07 0.35 99.18 0.19 0.00 0.00 0.00 53 E H H 88.76 7.42 24.46 32.08 91.74 50.80 -64.11 -41.12 0.22 0.00 99.78 0.04 0.02 0.12 99.71 0.11 0.00 0.00 0.00 54 A H H 31.31 8.20 24.12 33.23 91.69 50.20 -64.09 -42.38 0.16 0.00 99.84 0.02 0.01 0.10 99.77 0.09 0.00 0.00 0.00 55 L H H 4.53 24.24 20.63 44.62 91.54 50.43 -63.56 -43.59 0.19 0.00 99.81 0.02 0.01 0.13 99.72 0.12 0.00 0.00 0.00 56 L H H 19.26 19.81 21.71 40.81 91.83 50.12 -63.55 -41.40 0.34 0.00 99.66 0.02 0.01 0.27 99.45 0.26 0.00 0.00 0.00 57 S H H 57.40 3.50 26.08 29.02 91.54 50.86 -64.51 -41.04 2.56 0.00 97.44 0.06 0.06 2.45 96.98 0.46 0.00 0.00 0.00 58 M H H 28.06 13.37 20.57 34.79 91.92 50.49 -65.12 -41.31 3.58 0.00 96.41 0.21 0.23 2.94 95.84 0.79 0.00 0.00 0.00 59 V H H 5.10 24.20 14.76 39.11 91.65 51.36 -64.05 -41.40 1.77 0.00 98.23 0.30 0.19 1.07 96.53 1.91 0.00 0.00 0.00 60 E H H 107.14 7.52 19.37 27.73 91.66 52.08 -64.50 -36.90 2.95 0.01 97.05 0.27 0.19 2.27 94.42 2.83 0.00 0.00 0.00 61 K H H 148.66 1.62 20.78 21.50 92.25 50.59 -71.35 -28.87 7.16 0.01 92.83 0.32 0.43 6.24 91.16 1.84 0.01 0.00 0.00 62 K H H 63.01 13.67 13.20 26.98 95.72 49.27 -85.65 -17.25 22.78 0.08 77.14 2.90 4.74 15.06 76.04 1.14 0.03 0.02 0.07 63 G C C 25.85 5.03 18.74 25.11 127.91 -120.83 95.74 177.47 72.04 0.18 27.78 64.55 2.89 3.30 27.62 1.47 0.00 0.05 0.12 64 D H H 100.35 6.22 16.35 24.04 92.80 -56.91 -63.93 -34.26 6.31 0.01 93.68 0.78 0.98 4.33 92.03 1.86 0.00 0.00 0.00 65 L H H 102.83 2.83 22.68 25.17 91.95 54.56 -64.22 -40.03 2.68 0.00 97.32 0.31 0.22 1.94 95.53 2.00 0.00 0.00 0.00 66 A H H 6.12 19.03 16.68 36.52 91.60 50.34 -64.31 -42.15 0.68 0.00 99.32 0.12 0.05 0.39 98.55 0.89 0.00 0.00 0.00 67 L H H 23.76 19.29 19.42 38.11 91.41 51.56 -62.56 -42.57 0.22 0.00 99.78 0.03 0.01 0.12 99.70 0.14 0.00 0.00 0.00 68 D H H 69.78 5.18 25.56 30.88 91.51 51.30 -63.90 -41.61 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 69 V H H 36.27 10.82 23.92 35.42 91.72 49.93 -64.58 -42.74 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 70 L H H 2.81 25.75 20.36 46.08 91.39 49.92 -63.54 -43.40 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 71 F H H 38.31 17.44 22.85 39.43 91.68 50.23 -63.71 -41.69 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 72 R H H 125.03 3.30 26.88 29.81 91.79 50.19 -64.27 -41.59 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 73 S H H 9.34 14.80 20.28 36.40 91.60 50.25 -63.63 -43.03 0.23 0.00 99.77 0.01 0.01 0.18 99.75 0.05 0.00 0.00 0.00 74 I H H 6.76 22.48 16.61 39.30 91.99 49.32 -64.74 -41.32 0.62 0.00 99.38 0.05 0.03 0.45 99.32 0.15 0.00 0.00 0.00 75 S H H 47.26 10.11 17.67 28.47 91.77 53.28 -65.53 -34.90 3.51 0.00 96.49 0.13 0.11 3.12 96.23 0.40 0.00 0.00 0.00 76 E H H 130.10 2.26 19.61 21.59 94.29 47.08 -73.10 -35.31 9.46 0.00 90.54 0.18 0.33 8.86 90.26 0.37 0.00 0.00 0.00 77 R H H 111.80 7.98 16.78 25.49 101.13 32.53 -94.23 -32.29 13.52 0.02 86.46 0.30 1.62 11.10 86.70 0.25 0.01 0.00 0.01 78 D C C 33.84 14.57 12.47 27.55 112.85 17.74 -135.61 76.72 99.80 0.03 0.16 95.81 3.79 0.21 0.14 0.02 0.00 0.01 0.03 79 P H H 78.20 6.19 15.87 24.07 92.96 171.66 -62.26 -33.51 9.33 0.00 90.67 0.69 0.40 7.85 87.18 3.88 0.00 0.00 0.00 80 Y H H 125.04 4.11 20.68 25.01 91.96 57.09 -64.95 -38.03 4.22 0.00 95.78 0.13 0.16 4.02 92.66 3.02 0.00 0.00 0.00 81 L H H 13.47 18.70 17.01 36.03 92.08 49.87 -65.77 -41.61 0.90 0.00 99.09 0.12 0.05 0.61 97.15 2.07 0.00 0.00 0.00 82 V H H 17.39 16.92 16.59 34.08 91.57 51.19 -62.94 -42.44 0.31 0.00 99.69 0.05 0.02 0.17 99.20 0.56 0.00 0.00 0.00 83 S H H 56.89 2.67 22.13 23.90 91.40 50.77 -63.51 -41.86 0.50 0.00 99.49 0.06 0.03 0.33 98.98 0.61 0.00 0.00 0.00 84 Y H H 81.41 7.29 18.64 27.24 92.14 50.00 -65.17 -40.92 0.98 0.00 99.02 0.10 0.05 0.68 98.46 0.71 0.00 0.00 0.00 85 L H H 15.02 19.07 13.21 32.47 92.44 51.09 -65.43 -40.77 2.76 0.00 97.23 0.37 0.22 1.86 96.52 1.02 0.00 0.00 0.00 86 R H H 123.01 6.05 16.23 23.44 92.39 51.78 -65.43 -37.27 11.83 0.03 88.14 2.11 1.20 8.04 87.37 1.24 0.01 0.01 0.02 87 Q H H 119.54 2.07 14.50 16.90 94.01 53.26 -70.00 -32.04 27.69 0.14 72.17 7.84 3.99 15.70 70.39 1.93 0.01 0.05 0.09 88 Q C H 103.82 5.73 11.56 18.74 96.60 56.37 -75.28 -21.36 50.12 0.30 49.58 16.79 7.72 25.33 46.96 2.89 0.01 0.11 0.20 89 N C C 103.66 4.67 10.69 16.91 99.64 59.88 -83.18 2.41 73.70 0.29 26.01 42.65 2.15 27.77 24.56 2.54 0.00 0.12 0.21 90 L C C 101.54 5.99 11.28 18.75 101.23 91.81 -81.01 -2.48 99.92 0.02 0.06 99.77 0.09 0.10 0.03 0.00 0.00 0.01 0.00