# 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 101.83 6.29 12.44 19.89 106.23 -134.59 -78.19 96.93 99.94 0.04 0.03 99.90 0.04 0.03 0.01 0.00 0.00 0.01 0.01 1 I C C 104.39 3.81 10.83 16.07 99.13 127.07 -75.75 -23.69 73.44 2.40 24.17 67.42 1.04 6.54 18.95 3.63 0.00 1.08 1.33 2 M C C 109.92 4.04 10.18 15.76 96.53 68.03 -69.79 -32.32 53.52 1.72 44.76 33.23 7.49 13.44 32.79 11.30 0.02 0.94 0.78 3 I H H 105.20 3.15 11.24 15.65 94.71 58.45 -70.20 -34.72 31.79 1.06 67.15 17.11 4.71 9.97 44.58 22.59 0.03 0.66 0.35 4 L H H 101.85 2.82 12.37 16.15 94.12 56.26 -68.68 -36.11 15.41 0.39 84.20 5.44 2.16 6.56 54.24 31.22 0.02 0.26 0.10 5 Y H H 117.42 5.70 12.16 19.18 95.71 53.51 -73.50 -31.13 15.51 0.25 84.24 3.59 1.87 8.35 55.10 30.82 0.04 0.16 0.08 6 W H H 126.30 6.95 12.51 20.61 96.09 53.32 -76.36 -26.76 30.05 0.27 69.68 3.69 3.20 20.46 48.24 24.07 0.06 0.14 0.15 7 S H H 59.28 3.80 15.10 19.66 95.14 57.46 -68.98 -36.93 24.71 0.15 75.14 3.94 3.19 17.34 66.87 8.43 0.06 0.07 0.10 8 L H H 84.80 3.99 16.62 21.20 93.23 57.10 -64.93 -40.91 5.45 0.02 94.53 1.45 0.80 3.01 93.06 1.66 0.00 0.00 0.01 9 P H H 40.07 11.09 14.39 26.58 92.29 51.31 -64.85 -39.92 2.96 0.01 97.03 0.65 0.23 1.85 95.71 1.54 0.00 0.00 0.00 10 M H H 85.49 6.26 17.33 24.45 92.19 51.13 -64.87 -40.40 0.81 0.00 99.19 0.14 0.06 0.51 98.22 1.07 0.00 0.00 0.00 11 I H H 92.30 2.90 19.41 21.67 91.94 50.43 -64.49 -41.78 0.23 0.00 99.77 0.03 0.01 0.13 99.64 0.18 0.00 0.00 0.00 12 L H H 60.35 9.14 17.30 27.28 91.96 50.28 -64.54 -41.41 0.14 0.00 99.86 0.01 0.01 0.08 99.80 0.09 0.00 0.00 0.00 13 F H H 65.22 12.71 16.68 29.65 92.07 50.10 -64.68 -41.58 0.12 0.00 99.88 0.01 0.00 0.08 99.83 0.08 0.00 0.00 0.00 14 I H H 91.54 3.59 21.23 24.50 91.98 48.74 -64.41 -41.74 0.14 0.00 99.86 0.01 0.00 0.10 99.82 0.06 0.00 0.00 0.00 15 L H H 79.91 4.27 21.05 24.99 91.75 49.75 -64.54 -41.58 0.23 0.00 99.77 0.01 0.01 0.17 99.70 0.10 0.00 0.00 0.00 16 G H H 10.71 15.24 15.32 31.63 91.73 51.76 -63.64 -41.91 0.48 0.00 99.52 0.03 0.02 0.38 99.36 0.21 0.00 0.00 0.00 17 L H H 68.56 8.54 19.26 28.46 91.67 50.66 -63.80 -41.46 0.62 0.00 99.38 0.03 0.02 0.52 99.02 0.40 0.00 0.00 0.00 18 F H H 117.40 2.49 21.69 22.72 91.97 49.90 -64.54 -41.60 0.79 0.00 99.20 0.05 0.05 0.66 98.47 0.77 0.00 0.00 0.00 19 C H H 36.22 9.60 16.63 27.64 91.92 50.27 -64.92 -41.41 1.59 0.01 98.40 0.10 0.10 1.35 97.04 1.40 0.01 0.00 0.00 20 F H H 55.58 14.28 14.27 28.80 92.17 50.17 -65.66 -39.19 3.05 0.01 96.94 0.15 0.19 2.70 95.06 1.87 0.01 0.00 0.00 21 V H H 91.55 3.56 17.51 21.49 93.37 49.37 -70.31 -32.85 10.44 0.03 89.53 0.53 0.87 9.09 87.52 1.92 0.03 0.01 0.02 22 S H H 69.59 3.05 16.19 19.30 97.11 52.14 -81.26 -18.19 36.35 0.32 63.33 4.38 6.04 26.38 60.21 2.52 0.12 0.11 0.24 23 N C C 63.96 10.26 11.33 22.43 104.31 67.36 -97.94 51.78 75.65 1.45 22.91 37.98 10.62 26.97 19.57 3.39 0.01 0.57 0.88 24 R C T 140.83 6.42 12.66 20.61 97.58 162.40 -77.77 -14.95 87.33 1.58 11.09 32.61 16.93 38.62 6.56 3.76 0.01 0.69 0.83 25 K C T 152.56 1.95 15.95 17.89 97.66 59.16 -84.73 -12.44 90.60 1.18 8.23 21.75 33.88 35.64 3.84 3.71 0.00 0.58 0.60 26 H C C 84.92 6.73 13.61 21.95 114.26 71.75 -110.00 123.95 87.82 6.31 5.87 65.02 18.96 2.63 4.62 1.37 0.00 1.58 5.81 27 L H H 82.72 9.02 13.96 24.34 93.39 -147.77 -62.16 -37.89 5.34 0.02 94.64 1.23 1.03 2.99 93.83 0.90 0.00 0.01 0.01 28 L H H 90.47 5.30 17.36 23.15 91.81 54.21 -64.03 -40.18 2.06 0.00 97.94 0.26 0.17 1.41 97.37 0.78 0.00 0.00 0.00 29 S H H 39.58 6.53 17.82 25.79 91.82 50.04 -65.39 -39.47 0.55 0.00 99.45 0.09 0.04 0.33 98.83 0.70 0.00 0.00 0.00 30 M H H 41.49 13.30 16.01 30.11 91.98 51.50 -63.95 -41.85 0.24 0.00 99.76 0.04 0.02 0.13 99.57 0.25 0.00 0.00 0.00 31 L H H 60.86 10.65 19.19 30.32 91.83 50.85 -64.06 -41.64 0.21 0.00 99.79 0.02 0.01 0.14 99.73 0.11 0.00 0.00 0.00 32 L H H 80.35 5.09 21.66 26.68 91.94 49.87 -64.88 -41.30 0.32 0.00 99.68 0.02 0.01 0.23 99.66 0.08 0.00 0.00 0.00 33 S H H 28.61 9.58 19.00 30.00 91.95 50.70 -64.38 -41.30 0.47 0.00 99.53 0.06 0.01 0.31 99.53 0.08 0.00 0.00 0.00 34 L H H 42.51 13.42 18.84 32.63 92.03 50.73 -64.18 -40.95 0.23 0.00 99.77 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 35 E H H 71.69 9.12 19.64 29.44 91.85 51.77 -63.54 -41.38 0.15 0.00 99.85 0.03 0.01 0.08 99.86 0.03 0.00 0.00 0.00 36 F H H 101.99 4.78 21.64 26.29 91.86 49.83 -64.90 -41.32 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 37 I H H 53.56 9.85 19.29 30.09 92.17 49.85 -64.11 -42.22 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 38 V H H 38.32 13.22 17.91 31.65 91.91 49.47 -64.21 -41.86 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 L H H 76.99 5.96 20.31 26.63 91.74 50.18 -64.36 -41.09 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 40 M H H 80.13 4.66 20.20 25.25 91.83 50.72 -64.77 -41.21 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 41 L H H 46.56 11.36 17.70 29.86 92.01 50.96 -64.28 -41.27 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 42 F H H 70.90 11.17 17.59 29.26 91.99 50.94 -64.00 -41.45 0.08 0.00 99.92 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 43 F H H 110.94 3.35 20.38 23.50 91.68 50.01 -64.64 -41.62 0.08 0.00 99.92 0.00 0.00 0.06 99.89 0.05 0.00 0.00 0.00 44 M H H 81.30 5.42 19.17 25.28 91.90 50.40 -64.93 -41.39 0.13 0.00 99.87 0.00 0.00 0.11 99.79 0.09 0.00 0.00 0.00 45 L H H 42.43 12.60 16.05 29.45 92.05 50.10 -64.64 -41.48 0.26 0.00 99.74 0.01 0.01 0.23 99.59 0.18 0.00 0.00 0.00 46 F H H 88.12 7.68 17.32 25.93 92.08 50.90 -64.47 -41.12 0.53 0.00 99.46 0.02 0.02 0.46 99.07 0.43 0.00 0.00 0.00 47 I H H 88.78 2.79 18.71 21.17 91.89 50.32 -64.64 -41.83 1.48 0.00 98.52 0.06 0.06 1.27 97.63 0.98 0.00 0.00 0.00 48 Y H H 95.51 6.02 16.40 23.69 92.42 49.04 -65.97 -40.03 3.74 0.00 96.25 0.21 0.22 3.14 94.43 1.99 0.00 0.00 0.00 49 L H H 45.30 11.33 12.19 24.79 92.56 51.45 -67.35 -35.69 10.22 0.03 89.75 0.88 0.83 8.18 85.08 4.98 0.02 0.01 0.02 50 N H H 97.52 3.91 14.01 19.18 92.71 55.31 -69.49 -27.65 25.54 0.08 74.38 2.08 2.03 21.02 68.76 5.97 0.05 0.04 0.06 51 M H H 131.94 1.68 14.11 15.78 95.82 53.28 -79.17 -21.96 41.00 0.25 58.76 4.40 5.69 30.81 53.15 5.58 0.09 0.10 0.19 52 L C T 89.34 5.50 11.23 18.33 104.36 49.23 -96.00 18.31 68.82 1.19 29.99 19.58 23.68 26.19 25.32 3.96 0.04 0.39 0.85 53 N C C 115.79 2.95 13.91 18.07 99.73 -118.59 39.31 45.31 93.40 0.67 5.93 60.43 10.24 22.85 3.94 1.81 0.00 0.33 0.40 54 Y C C 109.61 7.84 12.03 21.09 102.06 152.12 -84.53 14.64 73.65 0.94 25.41 53.50 9.04 10.54 21.81 4.13 0.00 0.38 0.61 55 E H H 107.00 6.45 13.92 21.69 95.21 107.70 -65.54 -34.01 25.84 0.19 73.98 8.72 4.52 13.37 67.52 5.67 0.03 0.08 0.11 56 S H H 63.43 3.85 16.51 20.91 92.82 55.86 -66.45 -36.14 14.29 0.08 85.63 3.36 1.87 8.89 80.44 5.35 0.02 0.04 0.04 57 Y H H 91.44 7.52 16.41 24.96 92.80 51.68 -66.41 -40.11 5.67 0.03 94.30 1.53 0.69 3.28 90.25 4.21 0.01 0.02 0.01 58 F H H 59.71 12.02 15.66 28.49 92.18 51.55 -63.93 -41.52 2.22 0.01 97.77 0.61 0.25 1.26 96.30 1.57 0.00 0.00 0.00 59 S H H 44.88 6.99 18.30 26.25 91.90 51.66 -63.89 -40.94 1.32 0.00 98.68 0.27 0.11 0.83 97.87 0.92 0.00 0.00 0.00 60 M H H 92.54 4.53 20.87 25.30 92.08 50.74 -64.96 -41.13 0.99 0.00 99.01 0.14 0.07 0.72 98.48 0.59 0.00 0.00 0.00 61 M H H 54.89 12.19 18.48 31.06 92.14 50.18 -64.86 -41.89 0.69 0.00 99.31 0.07 0.04 0.52 99.06 0.31 0.00 0.00 0.00 62 F H H 66.50 13.14 18.62 31.79 91.76 50.53 -63.62 -41.71 0.38 0.00 99.62 0.04 0.02 0.26 99.51 0.17 0.00 0.00 0.00 63 L H H 83.51 5.50 22.00 27.50 91.78 50.30 -64.11 -41.66 0.40 0.00 99.60 0.04 0.02 0.28 99.50 0.17 0.00 0.00 0.00 64 T H H 55.80 6.62 21.70 28.62 91.91 49.73 -64.40 -42.34 0.56 0.00 99.44 0.05 0.03 0.40 99.35 0.17 0.00 0.00 0.00 65 F H H 52.78 14.45 19.77 34.21 92.19 48.99 -64.77 -41.97 0.57 0.00 99.43 0.07 0.04 0.37 99.37 0.15 0.00 0.00 0.00 66 S H H 34.23 11.42 20.06 31.80 91.74 51.06 -63.81 -41.76 0.96 0.01 99.04 0.15 0.07 0.61 98.99 0.18 0.00 0.00 0.00 67 V H H 78.77 4.13 24.06 27.66 92.03 48.91 -64.40 -42.41 1.02 0.00 98.97 0.12 0.07 0.70 98.88 0.22 0.00 0.00 0.00 68 C H H 43.56 9.02 21.80 31.27 92.07 48.34 -64.64 -42.52 0.88 0.00 99.11 0.14 0.06 0.54 99.05 0.20 0.00 0.00 0.00 69 E H H 51.11 14.07 20.38 34.40 91.90 49.83 -63.50 -41.55 0.95 0.00 99.05 0.11 0.06 0.65 98.98 0.20 0.00 0.00 0.00 70 G H H 27.23 8.93 21.21 30.27 91.89 50.97 -63.59 -41.85 1.34 0.00 98.65 0.14 0.08 0.97 98.56 0.25 0.00 0.00 0.00 71 A H H 52.64 4.92 23.00 27.96 92.00 49.92 -64.83 -41.58 1.31 0.00 98.69 0.12 0.07 0.94 98.61 0.25 0.00 0.00 0.00 72 L H H 60.84 9.89 21.45 31.43 92.10 49.40 -65.25 -41.44 1.37 0.00 98.63 0.14 0.08 0.97 98.55 0.25 0.00 0.00 0.00 73 G H H 19.04 11.95 19.07 31.81 91.70 51.76 -63.00 -42.20 1.11 0.00 98.89 0.12 0.06 0.73 98.92 0.17 0.00 0.00 0.00 74 L H H 79.10 6.73 21.91 28.42 91.77 50.27 -64.42 -41.31 0.52 0.00 99.47 0.06 0.03 0.32 99.48 0.12 0.00 0.00 0.00 75 S H H 46.56 6.33 20.85 27.77 91.79 50.88 -64.37 -41.61 0.33 0.00 99.67 0.04 0.02 0.20 99.66 0.09 0.00 0.00 0.00 76 I H H 59.58 10.47 19.63 30.40 92.03 49.64 -64.51 -42.08 0.24 0.00 99.76 0.02 0.01 0.14 99.75 0.07 0.00 0.00 0.00 77 L H H 62.60 9.58 19.43 29.46 91.56 50.45 -63.39 -42.14 0.25 0.00 99.75 0.02 0.01 0.15 99.73 0.08 0.00 0.00 0.00 78 V H H 69.16 5.24 20.14 25.63 91.78 49.56 -64.23 -41.93 0.51 0.00 99.49 0.04 0.02 0.35 99.45 0.13 0.00 0.00 0.00 79 S H H 39.57 6.97 17.89 25.85 91.78 50.73 -64.56 -41.28 1.66 0.00 98.34 0.13 0.08 1.25 98.21 0.32 0.00 0.00 0.00 80 M H H 61.13 9.16 16.09 26.44 91.91 50.20 -64.71 -41.01 2.76 0.01 97.23 0.27 0.22 2.07 96.70 0.72 0.01 0.01 0.00 81 I H H 75.18 6.96 15.25 23.07 92.31 50.08 -65.50 -40.49 3.49 0.07 96.43 0.70 0.45 2.28 95.13 1.36 0.01 0.05 0.02 82 R H H 147.82 2.87 15.65 19.14 93.13 49.11 -68.73 -36.80 6.06 0.06 93.88 0.98 0.64 4.35 92.13 1.83 0.02 0.03 0.02 83 T H H 82.42 4.20 14.46 19.33 97.77 39.32 -82.85 -33.18 12.74 0.08 87.18 1.43 1.45 9.75 85.69 1.57 0.03 0.03 0.04 84 H H H 111.47 4.81 12.87 18.79 102.18 33.89 -101.74 -5.48 35.29 0.48 64.24 7.06 8.26 21.06 61.38 1.69 0.07 0.16 0.31 85 G C C 36.38 5.64 12.86 20.03 118.01 -152.35 79.51 -143.74 86.81 1.00 12.19 50.86 11.81 24.34 7.78 4.12 0.00 0.44 0.64 86 N C C 96.72 5.82 11.61 18.81 104.90 -56.74 -89.43 38.35 77.25 1.46 21.28 48.84 13.59 14.74 13.04 8.15 0.00 0.63 0.99 87 D C C 98.92 3.76 12.20 17.41 99.36 113.82 -82.15 -8.48 63.48 0.97 35.55 30.29 14.43 19.30 21.34 13.54 0.02 0.41 0.67 88 Y C H 140.48 4.13 11.72 17.26 99.81 64.48 -82.85 -6.33 52.95 0.95 46.10 21.02 11.59 21.11 28.85 16.35 0.04 0.42 0.62 89 F H H 111.07 6.66 9.51 17.54 99.53 81.07 -79.99 -14.57 41.96 1.05 56.99 19.16 8.36 14.45 35.77 21.16 0.04 0.49 0.57 90 Q H H 124.33 2.92 11.15 15.58 98.70 79.94 -79.08 -14.57 40.62 0.74 58.65 17.13 7.06 15.67 36.99 22.38 0.03 0.36 0.39 91 S H H 76.59 2.92 10.33 14.66 101.97 62.96 -84.93 -4.27 44.20 0.91 54.89 18.36 7.44 17.66 32.78 22.79 0.04 0.45 0.47 92 F C C 137.43 4.03 8.39 14.17 107.41 72.74 -90.71 58.01 54.77 1.85 43.38 27.12 11.36 16.46 26.00 17.21 0.04 0.92 0.90 93 S C C 81.66 2.85 8.45 13.10 110.63 92.11 -95.33 109.21 68.81 4.06 27.13 40.33 11.25 17.34 16.45 10.63 0.02 2.49 1.48 94 I C C 130.31 2.29 7.41 11.55 111.37 -155.47 -94.27 111.46 81.83 3.66 14.52 70.95 1.99 9.81 9.00 4.35 0.00 2.42 1.48 95 M C C 131.91 3.25 9.37 14.50 110.77 -158.83 -92.62 117.12 99.95 0.04 0.01 99.92 0.04 0.02 0.01 0.00 0.00 0.02 0.00