# 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 Y C C 80.58 13.44 14.69 28.34 121.77 -166.69 -110.80 135.63 99.43 0.53 0.03 99.45 0.13 0.06 0.01 0.00 0.00 0.28 0.06 1 E C C 114.80 5.13 15.25 21.69 114.80 -150.45 -97.67 124.59 75.74 21.29 2.97 71.47 2.07 1.89 1.82 1.02 0.00 12.58 9.14 2 I C C 79.77 10.38 10.15 21.19 108.42 -158.37 -90.43 108.85 73.11 20.96 5.94 50.95 14.65 7.02 2.83 3.29 0.03 14.61 6.61 3 S C C 57.09 6.42 11.22 19.07 117.64 -44.77 -99.27 144.43 73.37 20.52 6.10 46.41 16.64 9.86 2.46 3.80 0.03 11.80 8.99 4 E C T 150.59 1.92 11.85 14.91 104.98 -79.11 -70.05 109.61 94.02 1.90 4.08 6.44 15.85 71.86 1.01 2.86 0.00 1.24 0.74 5 G C T 58.60 2.11 12.48 15.55 100.16 4.23 81.69 2.83 96.83 1.13 2.04 7.87 19.54 69.48 0.32 1.67 0.00 0.83 0.29 6 S C C 57.37 6.35 10.92 18.90 117.13 121.61 -93.57 140.59 77.23 21.79 0.98 53.81 21.57 2.07 0.36 0.76 0.00 14.88 6.55 7 S C C 69.01 5.45 13.53 20.39 113.00 -133.88 -86.22 140.61 71.77 25.25 2.98 59.90 6.89 3.34 1.20 2.01 0.00 18.20 8.45 8 F C C 74.18 14.65 10.11 24.17 110.06 -137.17 -89.31 112.26 80.36 11.00 8.64 60.77 10.49 8.73 2.17 6.65 0.00 8.03 3.15 9 D C C 92.87 5.31 15.47 21.86 108.40 -131.60 -83.26 110.64 84.26 7.61 8.13 57.62 13.35 13.37 2.07 6.06 0.00 5.08 2.44 10 A C C 71.18 6.62 12.47 20.33 103.72 -165.28 -86.68 8.01 86.02 4.17 9.81 43.03 29.28 14.41 3.25 5.86 0.01 1.96 2.19 11 N C C 72.17 6.67 11.68 20.10 110.38 106.11 -96.83 110.10 96.39 1.07 2.54 76.59 17.87 1.85 1.98 0.58 0.00 0.40 0.73 12 P H H 94.91 4.21 12.19 18.15 93.28 -154.55 -63.59 -26.72 43.53 0.37 56.10 9.46 5.99 28.09 50.66 5.38 0.04 0.20 0.18 13 L H H 108.80 2.87 14.48 17.94 93.09 59.80 -67.70 -35.44 32.32 0.84 66.85 6.93 4.31 21.79 60.54 5.47 0.12 0.52 0.33 14 V H H 50.96 9.86 13.03 24.16 93.18 52.32 -67.14 -39.87 14.64 1.97 83.39 7.36 2.72 6.01 75.32 6.48 0.10 1.54 0.47 15 I H H 70.94 9.13 15.16 25.28 92.48 52.48 -64.80 -40.45 11.75 2.35 85.90 4.74 1.80 5.92 79.09 5.79 0.17 2.09 0.41 16 G H H 37.17 4.17 18.23 22.67 92.21 51.34 -64.21 -39.95 11.84 1.29 86.87 4.10 1.51 6.71 80.62 5.54 0.08 1.20 0.23 17 L H H 77.90 6.56 18.08 25.35 92.31 51.67 -65.88 -40.60 6.65 0.77 92.58 2.19 1.01 3.67 85.46 6.74 0.08 0.70 0.14 18 A H H 32.83 12.64 15.82 29.03 92.17 52.37 -64.70 -40.39 8.58 0.85 90.57 1.78 1.00 5.67 83.11 7.37 0.12 0.80 0.14 19 L H H 82.39 7.27 19.02 26.67 92.34 50.54 -66.35 -38.53 9.74 0.90 89.36 1.84 1.06 6.91 81.89 7.18 0.15 0.82 0.16 20 I H H 92.46 5.22 19.58 24.93 92.97 52.89 -66.54 -38.95 6.96 0.72 92.32 1.49 1.02 4.79 82.81 9.02 0.12 0.62 0.13 21 G H H 25.72 11.79 16.53 28.68 93.84 51.42 -66.99 -35.26 11.35 0.28 88.37 1.21 0.90 8.90 74.81 13.81 0.08 0.22 0.07 22 W H H 112.41 10.95 17.20 28.18 96.31 49.89 -78.06 -26.51 22.10 0.37 77.53 1.74 1.67 17.99 65.46 12.56 0.18 0.25 0.15 23 V H H 80.32 6.42 18.94 25.47 100.07 51.76 -85.18 -27.56 28.30 1.39 70.31 3.50 4.24 21.41 61.63 7.19 0.60 0.85 0.59 24 V C H 66.45 8.96 17.11 26.76 107.27 72.15 -80.34 101.82 56.60 3.83 39.57 25.11 23.05 10.51 25.49 12.11 0.27 1.93 1.54 25 P H G 50.92 13.22 15.16 28.38 100.54 51.06 -68.16 -16.27 46.05 2.68 51.27 28.85 5.60 11.88 17.47 33.65 0.01 1.73 0.79 26 S H G 67.26 7.60 16.59 24.79 97.71 68.00 -74.45 -16.71 46.95 2.06 50.98 11.61 7.77 27.74 13.17 37.46 0.13 1.13 0.98 27 S C G 75.92 4.39 17.91 22.86 98.16 56.04 -92.21 1.46 56.74 2.17 41.09 13.49 11.00 32.87 7.25 33.08 0.06 1.19 1.06 28 V C S 45.80 15.21 10.29 25.47 115.46 112.46 -87.86 130.54 95.45 3.23 1.33 33.00 61.01 1.76 0.58 0.59 0.00 1.34 1.72 29 P C C 79.11 4.92 15.46 21.60 110.92 -110.49 -66.79 145.25 92.07 2.89 5.05 70.15 10.17 11.01 0.97 4.72 0.00 1.74 1.24 30 S C T 75.01 6.46 12.06 20.02 105.67 -127.92 -79.74 37.77 88.20 3.90 7.90 29.98 23.51 34.75 0.94 7.34 0.00 2.09 1.38 31 N C C 121.58 2.42 15.71 18.81 99.74 61.97 -86.54 15.80 89.17 4.82 6.01 36.20 23.71 29.31 0.62 5.98 0.00 2.90 1.28 32 I C C 54.16 12.14 10.04 23.18 115.46 120.58 -96.50 125.29 88.21 10.03 1.76 54.30 32.94 1.65 0.79 0.93 0.00 4.97 4.43 33 P C C 75.68 5.33 15.42 22.04 111.92 -121.70 -70.75 142.63 83.76 13.55 2.69 75.60 5.17 2.48 1.14 1.53 0.00 8.82 5.26 34 L C C 86.39 9.41 11.47 21.72 107.59 -144.98 -89.04 74.58 72.62 20.44 6.95 39.83 22.87 10.76 2.30 4.62 0.07 11.11 8.45 35 L C T 93.27 6.97 11.54 19.72 108.51 26.11 -93.31 99.06 59.61 30.69 9.70 14.19 23.22 24.08 2.52 6.15 0.55 14.41 14.87 36 D C T 123.72 1.48 14.63 16.17 97.11 -10.33 50.86 32.57 87.37 3.40 9.24 8.36 21.17 57.86 1.88 7.04 0.03 1.93 1.73 37 G C T 47.55 5.98 12.21 19.56 98.02 -68.74 81.40 3.60 88.85 2.88 8.27 11.27 31.22 47.24 2.03 5.39 0.02 1.50 1.33 38 K C C 126.06 3.94 15.94 21.00 109.23 112.57 -96.38 77.09 67.68 24.13 8.19 32.06 25.21 11.99 4.75 3.38 0.28 11.49 10.85 39 G C C 21.48 10.44 17.19 28.30 125.88 -104.12 48.53 170.82 67.41 19.75 12.84 46.33 16.20 4.78 10.66 2.54 0.15 8.70 10.64 40 L H H 40.68 17.81 16.88 33.93 93.85 -88.79 -65.70 -34.84 9.81 0.24 89.95 4.84 2.75 2.95 88.51 0.74 0.02 0.09 0.09 41 T H H 45.66 14.20 19.35 33.08 92.28 55.61 -63.80 -41.79 2.23 0.04 97.74 0.62 0.30 1.21 97.32 0.52 0.01 0.02 0.01 42 P H H 64.40 4.64 22.53 27.27 91.92 50.29 -64.68 -40.36 0.81 0.01 99.18 0.21 0.08 0.45 98.75 0.50 0.00 0.01 0.00 43 A H H 32.07 9.75 19.83 30.65 91.93 50.52 -64.76 -41.65 0.29 0.00 99.71 0.06 0.02 0.15 99.54 0.22 0.00 0.00 0.00 44 F H H 36.61 17.83 18.11 35.46 92.29 49.58 -64.67 -42.30 0.36 0.00 99.64 0.06 0.02 0.21 99.55 0.15 0.00 0.00 0.00 45 V H H 60.26 9.87 20.47 30.76 91.58 49.17 -64.01 -41.52 0.53 0.00 99.46 0.08 0.04 0.34 99.42 0.13 0.00 0.00 0.00 46 A H H 59.52 2.95 22.92 24.94 91.81 50.11 -64.90 -41.23 1.83 0.01 98.17 0.14 0.10 1.45 98.08 0.22 0.00 0.00 0.00 47 S H H 28.80 10.72 19.20 30.97 92.62 49.09 -65.93 -41.08 5.32 0.02 94.66 0.40 0.36 4.35 94.52 0.35 0.01 0.01 0.01 48 I H H 31.02 16.82 16.97 33.64 92.28 49.40 -64.97 -41.65 3.31 0.01 96.68 0.63 0.36 2.06 96.18 0.75 0.00 0.01 0.01 49 S H H 51.07 5.53 19.72 26.02 91.58 51.41 -63.56 -41.01 2.15 0.01 97.84 0.45 0.21 1.29 96.86 1.18 0.00 0.00 0.00 50 D H H 83.25 2.39 21.30 22.56 92.06 48.98 -66.04 -39.92 2.34 0.01 97.65 0.31 0.20 1.66 95.97 1.84 0.01 0.00 0.00 51 N H H 40.00 12.09 15.51 28.60 92.39 50.15 -66.70 -38.62 3.32 0.01 96.67 0.33 0.23 2.54 94.24 2.65 0.00 0.00 0.00 52 L H H 59.30 12.93 13.68 27.01 91.69 53.34 -66.08 -31.62 6.37 0.02 93.61 0.56 0.42 5.10 87.40 6.49 0.01 0.01 0.01 53 S H H 80.48 2.10 16.36 18.65 91.48 58.56 -70.49 -22.02 37.24 0.06 62.71 1.10 1.45 34.71 56.52 6.11 0.04 0.03 0.05 54 R C T 156.30 2.54 15.09 18.14 98.84 50.30 -94.88 -1.58 62.88 0.13 36.99 3.07 3.86 55.15 31.27 6.45 0.02 0.05 0.13 55 W C C 93.59 13.37 8.38 21.56 115.16 108.99 -81.14 135.63 90.42 0.94 8.64 44.47 38.76 7.28 2.89 5.42 0.00 0.28 0.88 56 P C C 91.21 4.44 12.45 18.38 101.25 -107.16 -70.55 19.23 91.71 0.79 7.50 46.65 24.40 20.73 1.05 6.37 0.00 0.37 0.43 57 Q C S 138.78 2.01 13.66 16.54 107.73 50.06 -95.17 49.93 89.17 3.02 7.81 29.98 43.19 16.26 1.13 6.31 0.00 1.24 1.88 58 G C C 34.67 7.46 12.40 21.13 130.58 -107.93 113.64 177.33 97.68 1.37 0.95 51.17 43.59 2.97 0.22 0.70 0.00 0.59 0.77 59 P C C 66.90 7.66 12.22 21.38 114.88 -50.64 -69.78 151.56 96.25 1.35 2.40 81.17 10.82 3.89 0.52 2.01 0.00 0.60 0.98 60 Q C C 109.83 3.23 15.80 19.65 114.37 -104.78 -72.98 147.79 93.44 2.18 4.39 83.44 5.23 4.12 0.99 3.56 0.00 0.85 1.81 61 L C T 100.32 8.77 9.84 19.74 92.91 -116.63 -63.02 -24.11 96.59 0.29 3.11 8.36 10.34 77.41 0.33 3.22 0.00 0.15 0.19 62 A C T 91.99 1.29 14.29 15.27 95.27 58.03 -89.33 -0.84 96.12 0.21 3.67 8.41 10.56 76.75 0.43 3.62 0.00 0.11 0.11 63 D C C 46.19 8.52 9.56 20.25 115.08 114.87 -73.71 136.85 98.55 0.50 0.94 52.91 45.09 0.42 0.74 0.17 0.00 0.08 0.59 64 P H H 97.92 2.51 15.09 18.29 91.62 -130.26 -60.93 -30.60 24.47 0.04 75.49 1.92 2.60 19.86 74.21 1.34 0.02 0.01 0.03 65 F H H 83.71 9.07 13.82 24.07 91.99 58.04 -66.49 -35.44 8.30 0.04 91.67 0.70 0.58 7.30 90.29 1.08 0.02 0.02 0.02 66 W H H 75.46 12.20 13.80 26.88 91.78 54.89 -63.63 -40.69 0.53 0.00 99.46 0.11 0.04 0.32 99.02 0.51 0.00 0.00 0.00 67 L H H 89.01 4.46 18.22 22.93 91.94 50.95 -64.28 -41.46 0.21 0.01 99.78 0.04 0.02 0.13 99.53 0.28 0.00 0.00 0.00 68 L H H 75.27 5.25 19.19 25.24 91.97 49.70 -65.07 -41.94 0.23 0.01 99.76 0.04 0.02 0.16 99.56 0.22 0.00 0.01 0.00 69 M H H 46.23 12.80 16.95 30.50 91.95 50.02 -64.43 -40.79 0.60 0.02 99.38 0.10 0.05 0.44 99.20 0.20 0.00 0.01 0.00 70 G H H 24.21 10.05 18.28 29.14 91.95 51.36 -63.42 -41.58 1.94 0.03 98.03 0.19 0.15 1.62 97.70 0.30 0.01 0.02 0.01 71 M H H 92.05 4.79 20.75 25.59 92.49 49.18 -66.17 -41.06 2.38 0.02 97.60 0.21 0.19 1.99 97.27 0.28 0.01 0.01 0.01 72 W H H 93.62 10.10 19.84 30.37 92.61 49.42 -65.42 -41.96 2.07 0.03 97.90 0.26 0.21 1.59 97.58 0.33 0.01 0.01 0.02 73 H H H 51.79 13.88 18.91 32.87 92.22 50.10 -65.38 -41.74 1.79 0.04 98.17 0.31 0.17 1.27 97.80 0.41 0.01 0.02 0.01 74 V H H 66.34 7.05 21.71 28.70 91.80 49.93 -64.43 -41.49 1.10 0.01 98.89 0.15 0.08 0.77 98.69 0.30 0.00 0.00 0.00 75 G H H 26.28 7.13 20.38 28.58 92.11 51.22 -64.73 -41.31 1.30 0.00 98.70 0.17 0.08 0.88 98.60 0.26 0.00 0.00 0.00 76 L H H 50.38 12.10 19.35 31.81 92.18 50.97 -65.33 -41.79 0.83 0.00 99.16 0.09 0.05 0.57 98.95 0.33 0.00 0.00 0.00 77 F H H 79.39 10.18 20.30 30.71 91.98 50.54 -63.95 -41.56 0.87 0.00 99.12 0.11 0.05 0.59 98.87 0.39 0.00 0.00 0.00 78 A H H 48.78 6.15 20.61 26.95 91.96 50.59 -64.57 -41.59 1.09 0.01 98.91 0.15 0.07 0.71 98.61 0.45 0.00 0.00 0.00 79 T H H 52.30 8.17 19.41 28.53 92.11 50.09 -64.81 -41.46 1.60 0.01 98.38 0.25 0.13 1.08 97.67 0.86 0.00 0.01 0.00 80 L H H 55.95 10.87 18.00 29.54 92.06 50.40 -64.82 -41.01 3.33 0.03 96.64 0.40 0.23 2.54 95.10 1.70 0.01 0.01 0.01 81 I H H 73.82 7.35 18.87 26.56 92.52 48.42 -65.72 -40.84 6.20 0.07 93.72 0.75 0.55 4.88 91.68 2.04 0.03 0.04 0.02 82 F H H 101.01 5.67 18.19 24.45 92.65 49.77 -66.54 -39.48 11.82 0.37 87.81 2.63 1.79 8.04 82.36 4.71 0.10 0.22 0.14 83 G H H 28.37 7.92 15.26 24.64 93.42 52.93 -66.34 -38.06 25.10 0.45 74.45 3.89 2.56 18.36 65.55 9.03 0.13 0.28 0.20 84 T H H 70.49 6.33 16.36 23.44 94.88 50.77 -73.18 -30.43 34.02 0.76 65.22 4.90 3.92 25.05 56.62 8.50 0.20 0.47 0.33 85 V C H 78.91 5.66 14.91 21.57 97.45 54.94 -76.03 -25.44 50.57 1.78 47.65 6.60 9.06 34.81 39.80 7.32 0.52 0.92 0.96 86 G C T 38.62 5.37 14.61 21.08 98.85 39.86 -34.15 -19.58 65.67 1.02 33.31 15.31 8.12 42.19 26.70 6.56 0.05 0.51 0.55 87 Y C H 116.47 6.20 11.54 19.35 97.35 72.86 -71.60 -29.04 51.56 2.56 45.88 26.68 8.94 16.58 27.96 17.24 0.07 1.38 1.15 88 N C H 104.12 3.37 12.42 17.07 97.69 62.35 -75.22 -13.98 50.76 3.09 46.15 21.38 9.73 20.38 25.05 20.31 0.14 1.75 1.26 89 L C C 103.91 4.68 9.55 15.82 100.81 76.60 -79.41 -5.47 56.06 3.80 40.14 26.21 10.39 20.49 19.72 19.40 0.08 2.20 1.51 90 R C C 153.67 3.43 9.16 14.42 105.26 76.81 -84.95 48.84 75.10 2.75 22.14 61.08 2.62 12.80 13.41 7.12 0.00 1.62 1.37 91 K C C 150.10 2.59 11.44 15.62 108.74 -141.31 -87.55 102.12 99.90 0.05 0.04 99.78 0.08 0.08 0.02 0.00 0.00 0.02 0.01