# 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 A C C 75.48 4.15 9.99 15.83 114.40 -147.77 -89.25 137.87 99.94 0.04 0.02 99.86 0.07 0.04 0.01 0.00 0.00 0.01 0.01 1 K C C 161.83 1.54 8.58 11.39 110.04 -137.41 -88.70 118.28 87.72 1.10 11.18 80.61 1.56 6.86 5.90 3.89 0.00 0.52 0.66 2 H C C 139.85 2.79 6.50 11.03 115.26 -167.30 -97.79 128.36 77.63 2.14 20.24 53.88 11.62 11.98 9.16 11.13 0.00 1.10 1.12 3 L C C 123.45 2.41 7.93 11.99 112.39 -135.86 -84.08 131.80 64.77 2.02 33.21 44.49 9.02 10.90 11.92 21.71 0.00 1.13 0.83 4 K C C 156.99 1.88 8.37 11.66 109.31 -144.65 -89.27 111.25 61.46 2.49 36.05 33.99 12.14 15.53 13.90 22.02 0.02 1.37 1.04 5 F C C 147.59 3.40 7.70 12.83 113.26 56.00 -95.75 122.88 62.39 6.04 31.58 36.35 12.53 14.14 13.46 17.75 0.04 3.64 2.09 6 I C C 124.91 2.90 9.14 13.62 111.78 -161.65 -96.62 120.20 71.37 9.58 19.06 46.66 14.74 10.02 11.89 7.40 0.05 6.39 2.85 7 A C C 77.82 4.02 9.26 15.09 118.35 -119.93 -100.41 137.66 79.97 10.57 9.46 54.19 15.00 10.77 4.90 4.29 0.01 9.64 1.20 8 R C C 147.50 4.71 10.86 17.33 118.19 -160.83 -108.21 132.71 67.38 28.68 3.94 50.49 12.09 3.76 1.46 2.13 0.01 29.06 1.01 9 T E E 88.93 5.26 11.51 18.76 122.03 -155.54 -113.17 137.13 27.77 71.45 0.78 25.52 1.70 0.42 0.42 0.31 0.00 70.48 1.15 10 V E E 68.13 9.06 11.11 21.75 123.09 -166.28 -121.95 134.04 15.38 84.41 0.21 15.03 0.60 0.11 0.12 0.07 0.00 83.36 0.71 11 M E E 124.78 3.03 15.49 19.54 114.63 -137.83 -89.99 129.07 19.34 80.46 0.20 18.95 0.59 0.13 0.11 0.07 0.00 79.43 0.71 12 V C C 52.52 12.53 8.17 21.18 121.69 -166.77 -114.49 134.28 52.89 46.83 0.28 51.40 1.06 0.17 0.14 0.10 0.00 46.05 1.07 13 Q C C 125.87 2.30 12.70 16.08 117.62 -160.86 -103.83 135.10 66.88 29.73 3.38 50.90 9.43 5.90 1.00 2.53 0.00 27.20 3.03 14 E C T 165.62 0.87 13.06 13.59 98.27 -23.62 39.11 59.59 92.71 0.88 6.41 2.44 11.97 78.24 0.71 5.74 0.00 0.57 0.32 15 G C T 56.70 2.67 12.60 16.29 96.62 -28.91 81.03 1.86 92.88 0.62 6.50 5.43 14.53 72.51 0.78 6.11 0.00 0.37 0.26 16 N C C 79.68 4.45 13.70 19.68 105.90 117.82 -98.60 82.37 92.95 2.62 4.43 88.81 3.18 1.58 2.52 1.41 0.00 1.08 1.42 17 V H H 58.42 12.08 10.74 23.50 94.65 166.04 -66.89 -37.41 7.00 0.09 92.91 4.72 0.86 1.76 91.81 0.79 0.00 0.03 0.03 18 E H H 123.88 2.31 17.56 20.02 91.93 54.21 -63.46 -41.04 1.82 0.01 98.16 0.49 0.18 1.00 97.53 0.79 0.00 0.01 0.00 19 S H H 54.27 2.48 18.40 20.52 91.83 49.53 -64.97 -40.59 0.84 0.01 99.15 0.21 0.07 0.45 98.36 0.90 0.00 0.00 0.00 20 A H H 21.46 11.66 13.84 27.15 91.90 51.85 -63.51 -42.45 0.64 0.01 99.36 0.15 0.05 0.32 98.96 0.50 0.00 0.00 0.00 21 Y H H 93.05 9.38 17.14 27.12 91.84 50.29 -63.94 -41.32 0.54 0.00 99.46 0.11 0.04 0.27 99.46 0.12 0.00 0.00 0.00 22 R H H 142.19 1.81 20.34 21.05 91.69 50.56 -64.30 -41.54 0.43 0.00 99.57 0.08 0.03 0.21 99.63 0.04 0.00 0.00 0.00 23 T H H 59.63 4.78 18.81 24.24 91.88 49.55 -64.87 -42.10 0.32 0.00 99.68 0.05 0.02 0.16 99.74 0.03 0.00 0.00 0.00 24 L H H 40.15 13.32 15.76 29.87 91.73 49.87 -64.21 -41.65 0.21 0.00 99.79 0.03 0.01 0.11 99.84 0.02 0.00 0.00 0.00 25 N H H 68.50 7.25 17.50 25.79 91.51 51.08 -63.56 -40.76 0.24 0.00 99.76 0.03 0.01 0.12 99.81 0.02 0.00 0.00 0.00 26 R H H 133.96 1.75 19.90 20.25 91.87 50.51 -64.39 -41.58 0.36 0.00 99.64 0.05 0.02 0.19 99.71 0.03 0.00 0.00 0.00 27 I H H 61.38 6.53 17.08 24.95 91.94 49.05 -64.55 -42.36 0.39 0.00 99.60 0.05 0.03 0.22 99.66 0.04 0.00 0.00 0.00 28 L H H 37.43 11.72 12.87 25.96 92.47 48.98 -64.90 -40.96 0.92 0.01 99.07 0.17 0.09 0.52 99.10 0.11 0.00 0.00 0.00 29 T H H 81.26 3.38 15.21 19.48 92.61 49.57 -65.52 -40.23 2.57 0.02 97.41 0.37 0.18 1.82 97.29 0.33 0.01 0.01 0.00 30 M H H 138.08 1.18 15.33 15.80 92.35 51.23 -67.15 -34.11 7.53 0.01 92.46 0.27 0.36 6.87 92.15 0.33 0.01 0.00 0.01 31 D C T 82.96 4.62 12.80 18.79 94.77 47.50 -87.70 -3.34 73.45 0.03 26.51 0.51 2.25 68.42 28.21 0.56 0.00 0.01 0.03 32 G C T 42.37 4.00 14.77 20.22 95.93 -114.12 78.72 11.45 97.28 0.03 2.69 3.99 4.07 88.77 2.94 0.20 0.00 0.01 0.02 33 L H H 55.52 7.86 13.64 23.59 94.70 125.87 -70.32 -34.61 10.13 0.06 89.81 7.31 1.05 1.63 89.39 0.58 0.00 0.02 0.02 34 I H H 56.61 10.61 13.95 25.59 92.61 54.55 -64.36 -41.46 1.65 0.01 98.33 0.54 0.21 0.76 97.93 0.55 0.00 0.01 0.00 35 E H H 107.00 2.95 17.68 20.84 92.09 50.98 -64.98 -40.44 0.78 0.01 99.21 0.23 0.08 0.38 98.75 0.54 0.00 0.01 0.00 36 D H H 75.53 2.91 17.10 20.14 92.28 50.05 -65.62 -40.73 0.74 0.01 99.25 0.17 0.08 0.41 98.84 0.50 0.00 0.01 0.00 37 I H H 50.35 7.52 14.05 23.50 92.50 49.69 -65.24 -42.11 0.98 0.01 99.01 0.17 0.11 0.60 98.79 0.33 0.00 0.00 0.00 38 K H H 88.24 6.29 13.55 21.33 92.41 50.91 -64.28 -40.48 1.64 0.01 98.34 0.30 0.17 1.03 97.92 0.57 0.00 0.00 0.00 39 H H H 113.31 3.03 13.71 17.72 92.82 50.52 -66.36 -37.56 3.46 0.02 96.53 0.36 0.25 2.64 95.35 1.38 0.01 0.01 0.00 40 R H H 155.59 2.00 13.96 16.19 95.63 45.40 -74.72 -35.98 7.68 0.02 92.30 0.41 0.48 6.73 90.61 1.73 0.02 0.01 0.01 41 R H H 142.99 3.18 13.37 17.25 100.63 34.44 -90.79 -31.79 28.11 0.09 71.79 1.01 1.92 25.26 69.52 2.12 0.07 0.03 0.06 42 Y C H 126.49 4.76 12.59 18.52 107.87 20.32 -114.92 -3.64 56.56 1.02 42.43 6.82 9.29 39.73 40.10 2.89 0.15 0.43 0.60 43 Y C C 124.08 6.01 10.65 18.34 116.79 80.43 -99.52 126.75 87.76 7.20 5.04 66.18 11.89 8.97 3.42 1.73 0.00 3.70 4.11 44 E C C 84.65 7.51 10.05 19.38 117.60 -165.02 -99.14 138.33 92.01 5.82 2.16 79.91 9.44 1.92 1.70 0.60 0.00 2.45 3.98 45 K C C 123.56 3.01 12.95 17.20 114.87 -111.97 -71.57 150.30 93.06 0.63 6.31 78.51 8.90 5.48 4.49 1.97 0.00 0.29 0.35 46 P C T 92.56 3.01 12.25 16.30 98.53 -82.86 -64.53 -22.49 74.66 0.27 25.07 9.00 9.36 55.60 20.29 5.41 0.01 0.12 0.21 47 C C T 71.09 4.18 11.24 16.37 97.12 52.15 -70.84 -21.90 67.12 0.29 32.59 13.73 6.83 45.47 28.20 5.42 0.01 0.12 0.21 48 R H H 124.71 3.54 12.55 17.40 94.34 80.85 -66.53 -38.24 10.65 0.13 89.22 6.32 2.20 2.87 86.78 1.72 0.00 0.05 0.05 49 R H H 133.61 2.65 13.70 17.27 92.82 53.55 -64.39 -41.41 1.93 0.02 98.06 0.73 0.29 0.80 97.65 0.52 0.00 0.01 0.00 50 R H H 133.77 2.07 14.57 16.84 92.29 50.26 -65.15 -40.27 0.91 0.01 99.08 0.29 0.11 0.42 98.80 0.37 0.00 0.00 0.00 51 Q H H 95.38 3.20 14.88 18.75 92.19 49.98 -65.06 -40.78 0.48 0.00 99.51 0.13 0.05 0.23 99.39 0.19 0.00 0.00 0.00 52 R H H 122.14 2.95 15.67 19.15 92.08 50.04 -64.47 -41.19 0.31 0.00 99.69 0.06 0.03 0.16 99.67 0.09 0.00 0.00 0.00 53 E H H 96.99 2.36 16.44 18.79 91.82 50.02 -63.98 -41.57 0.23 0.00 99.77 0.04 0.02 0.13 99.75 0.06 0.00 0.00 0.00 54 S H H 51.42 3.11 15.91 19.68 91.93 50.33 -63.95 -41.30 0.31 0.00 99.69 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 55 Y H H 112.12 3.62 15.84 20.04 92.04 50.26 -64.62 -41.35 0.26 0.00 99.74 0.03 0.02 0.15 99.75 0.05 0.00 0.00 0.00 56 E H H 93.84 2.61 16.32 19.15 91.77 50.60 -64.13 -41.41 0.23 0.00 99.77 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 57 R H H 132.91 1.81 16.84 18.04 92.00 49.95 -64.57 -41.32 0.33 0.00 99.67 0.03 0.02 0.22 99.68 0.06 0.00 0.00 0.00 58 C H H 62.91 3.39 15.04 19.20 91.98 50.14 -64.35 -41.11 0.55 0.00 99.45 0.06 0.03 0.37 99.47 0.08 0.00 0.00 0.00 59 R H H 129.49 3.06 15.83 19.08 91.88 50.63 -64.33 -40.64 0.26 0.00 99.74 0.03 0.01 0.17 99.75 0.05 0.00 0.00 0.00 60 R H H 132.81 1.85 16.39 17.81 91.81 50.77 -64.19 -41.42 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 61 I H H 89.29 2.39 16.07 18.42 91.86 49.21 -64.37 -42.23 0.15 0.00 99.85 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 62 Y H H 113.88 3.68 15.27 19.39 91.85 49.41 -64.36 -41.93 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.03 0.00 0.00 0.00 63 N H H 85.35 2.61 15.92 18.73 91.78 50.04 -64.33 -40.91 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 64 M H H 101.53 1.86 16.46 17.74 91.82 50.27 -64.29 -41.17 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 65 E H H 93.72 3.06 15.74 19.25 91.99 50.20 -64.52 -41.19 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 66 M H H 88.39 3.58 15.14 19.29 92.00 50.05 -64.89 -40.53 0.42 0.00 99.58 0.05 0.02 0.27 99.61 0.05 0.00 0.00 0.00 67 A H H 57.07 2.33 15.61 18.19 91.61 51.18 -63.39 -40.96 0.37 0.00 99.63 0.05 0.02 0.22 99.66 0.05 0.00 0.00 0.00 68 R H H 134.16 1.90 15.75 17.46 92.09 50.45 -64.80 -40.31 0.35 0.00 99.65 0.04 0.02 0.21 99.68 0.05 0.00 0.00 0.00 69 K H H 111.14 2.88 15.50 18.64 91.94 50.76 -64.72 -41.43 0.25 0.00 99.75 0.03 0.01 0.14 99.75 0.05 0.00 0.00 0.00 70 I H H 88.14 2.68 14.84 17.85 91.96 49.53 -64.52 -41.46 0.23 0.00 99.77 0.03 0.01 0.13 99.76 0.07 0.00 0.00 0.00 71 N H H 86.40 2.04 14.97 17.07 91.90 50.50 -64.22 -40.59 0.51 0.00 99.49 0.06 0.02 0.32 99.44 0.16 0.00 0.00 0.00 72 F H H 106.36 2.45 13.78 16.85 92.20 50.93 -64.64 -40.91 1.30 0.00 98.70 0.14 0.08 0.92 98.42 0.43 0.00 0.00 0.00 73 L H H 87.01 2.63 12.98 16.32 92.32 49.98 -65.05 -40.52 2.83 0.01 97.16 0.43 0.29 1.90 96.54 0.83 0.00 0.01 0.00 74 M H H 110.47 2.22 12.38 15.21 92.53 51.12 -66.16 -36.76 11.01 0.09 88.90 2.39 1.34 7.17 87.24 1.77 0.02 0.03 0.05 75 R H H 151.99 1.97 11.19 14.10 93.49 52.98 -71.51 -30.39 25.62 0.27 74.11 6.52 3.12 16.40 71.25 2.42 0.03 0.10 0.16 76 K H H 140.03 2.12 10.92 14.02 96.02 58.13 -74.77 -23.60 41.49 0.45 58.06 11.53 8.52 22.22 54.92 2.34 0.04 0.15 0.28 77 N C C 123.90 1.53 10.53 12.66 100.84 44.73 -94.87 17.75 70.91 0.59 28.51 30.74 13.56 25.88 26.79 2.41 0.01 0.20 0.41 78 R C C 135.87 4.08 8.03 14.25 115.91 127.97 -88.65 134.42 93.53 0.74 5.73 75.67 10.38 7.31 4.32 1.43 0.00 0.30 0.59 79 A C C 85.97 1.88 10.61 13.72 112.58 -120.02 -75.87 145.25 95.94 0.97 3.08 71.34 19.28 5.19 1.74 1.21 0.00 0.34 0.90 80 D C C 83.68 4.99 8.69 15.51 111.36 -105.10 -87.34 118.88 98.89 0.49 0.61 85.58 12.18 1.04 0.22 0.35 0.00 0.16 0.46 81 P C T 94.69 3.69 9.79 15.42 94.17 -150.97 -65.18 -20.16 89.59 0.35 10.06 11.95 10.01 66.84 1.42 9.36 0.00 0.18 0.24 82 W C T 167.19 3.47 8.74 13.78 99.72 59.24 -91.38 4.83 87.89 0.59 11.51 11.40 9.59 66.17 1.83 10.32 0.00 0.30 0.39 83 Q C T 128.91 2.62 8.51 13.07 108.77 125.03 -70.25 123.69 88.47 1.07 10.45 20.18 12.13 55.82 1.42 9.22 0.00 0.49 0.75 84 G C T 63.47 0.99 10.74 11.96 99.79 13.97 83.08 0.98 96.64 0.37 2.99 42.76 5.04 49.25 0.64 1.90 0.00 0.21 0.19 85 C C C 76.47 6.30 9.72 17.41 105.53 102.37 -89.61 62.48 99.84 0.13 0.03 99.32 0.47 0.09 0.01 0.01 0.00 0.05 0.05