# 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 123.58 4.08 9.80 15.64 116.16 -161.07 -96.65 135.77 99.89 0.08 0.03 99.82 0.08 0.04 0.01 0.00 0.00 0.04 0.01 1 A C C 80.23 2.86 8.03 12.68 112.48 -135.22 -86.42 136.82 86.14 2.24 11.61 82.16 1.05 4.64 6.38 3.50 0.00 1.16 1.11 2 K C C 162.20 1.38 8.25 10.76 105.48 -134.82 -85.99 75.95 73.23 2.58 24.19 47.52 13.21 12.65 12.95 11.07 0.00 1.40 1.20 3 H C C 130.99 3.44 7.11 12.20 109.13 89.17 -94.76 100.07 66.16 2.18 31.66 44.84 10.49 10.77 16.28 15.43 0.00 1.17 1.01 4 L C C 113.11 3.34 8.85 13.92 107.28 -132.06 -80.92 120.76 54.85 1.77 43.38 36.45 8.16 10.09 20.75 22.85 0.01 0.99 0.71 5 K C C 148.42 2.44 9.61 13.46 105.92 -126.95 -83.94 47.95 55.12 2.12 42.76 29.62 10.47 15.01 21.43 21.38 0.04 1.13 0.92 6 F C C 136.82 4.42 8.57 14.63 109.21 57.08 -93.07 97.04 58.47 4.36 37.17 32.65 11.64 14.57 19.36 17.55 0.07 2.45 1.71 7 I C C 122.28 3.39 9.95 14.76 107.26 96.73 -90.14 65.00 69.08 6.97 23.95 39.19 15.72 14.51 15.66 8.31 0.09 4.16 2.36 8 A C C 77.13 3.97 10.12 15.72 113.70 30.03 -96.12 125.37 79.91 8.35 11.74 47.13 16.90 16.44 5.89 5.38 0.02 7.04 1.20 9 R C C 144.96 4.95 11.24 17.87 116.74 -149.10 -103.46 131.01 70.67 25.21 4.12 52.70 12.56 4.26 1.46 2.28 0.01 25.70 1.04 10 T E E 87.29 5.58 11.81 19.28 121.78 -166.15 -112.41 137.46 26.17 73.13 0.70 24.15 1.65 0.37 0.41 0.27 0.00 71.88 1.28 11 V E E 67.07 9.39 11.24 22.12 122.27 -165.19 -120.67 133.98 12.97 86.86 0.17 12.65 0.52 0.09 0.12 0.05 0.00 85.94 0.64 12 M E E 123.95 3.12 15.61 19.79 114.43 -137.86 -90.34 129.07 16.54 83.30 0.16 16.25 0.53 0.11 0.09 0.05 0.00 82.34 0.64 13 V E E 53.04 12.52 8.23 21.23 121.18 -165.71 -114.09 135.24 47.55 52.22 0.23 46.50 0.93 0.14 0.12 0.09 0.00 51.16 1.06 14 Q C C 125.78 2.33 12.61 16.03 117.71 -159.59 -103.07 135.78 64.43 32.59 2.97 49.44 9.03 5.18 0.92 2.18 0.00 30.26 2.98 15 E C T 165.39 0.88 12.99 13.54 99.24 -24.15 27.46 64.52 93.66 0.79 5.56 2.06 10.72 80.88 0.64 4.91 0.00 0.50 0.29 16 G C T 57.13 2.52 12.59 16.09 96.86 -26.42 81.05 1.04 93.81 0.53 5.65 4.60 12.68 76.09 0.71 5.37 0.00 0.32 0.23 17 N C C 79.12 4.54 13.41 19.53 105.63 118.18 -98.95 82.17 93.56 2.48 3.95 89.74 3.06 1.36 2.25 1.25 0.00 1.01 1.34 18 V H H 60.26 11.68 10.77 23.21 94.72 165.09 -66.93 -37.57 6.87 0.09 93.04 4.65 0.82 1.74 91.92 0.80 0.00 0.04 0.03 19 E H H 124.29 2.24 17.51 19.83 91.97 54.17 -63.52 -41.01 1.83 0.01 98.16 0.50 0.19 1.00 97.48 0.82 0.00 0.01 0.00 20 S H H 53.65 2.52 18.21 20.47 91.84 49.78 -64.83 -40.61 0.87 0.01 99.13 0.22 0.08 0.46 98.28 0.95 0.00 0.01 0.00 21 A H H 21.73 11.61 13.75 27.00 91.99 51.88 -63.57 -42.47 0.69 0.01 99.30 0.18 0.06 0.35 98.88 0.53 0.00 0.00 0.00 22 Y H H 94.58 9.14 17.15 26.93 91.89 50.33 -64.05 -41.36 0.58 0.01 99.41 0.13 0.05 0.29 99.41 0.11 0.00 0.00 0.00 23 R H H 142.27 1.79 20.31 20.95 91.86 50.48 -64.35 -41.54 0.45 0.00 99.54 0.09 0.04 0.22 99.61 0.04 0.00 0.00 0.00 24 T H H 58.83 4.88 18.74 24.32 91.86 49.61 -64.81 -42.03 0.32 0.00 99.68 0.05 0.02 0.16 99.74 0.03 0.00 0.00 0.00 25 L H H 40.27 13.36 15.73 29.83 91.78 49.94 -64.27 -41.58 0.24 0.00 99.76 0.03 0.01 0.12 99.81 0.02 0.00 0.00 0.00 26 N H H 69.17 7.07 17.55 25.68 91.54 51.20 -63.66 -40.76 0.31 0.00 99.69 0.04 0.02 0.16 99.76 0.02 0.00 0.00 0.00 27 R H H 134.01 1.75 19.92 20.24 91.91 50.41 -64.38 -41.62 0.45 0.00 99.55 0.07 0.03 0.23 99.63 0.03 0.00 0.00 0.00 28 I H H 60.51 6.53 17.06 24.98 91.90 49.12 -64.50 -42.30 0.44 0.00 99.56 0.07 0.04 0.23 99.61 0.04 0.00 0.00 0.00 29 L H H 36.36 11.75 12.81 25.94 92.41 48.96 -64.82 -41.03 0.91 0.01 99.08 0.19 0.10 0.50 99.09 0.11 0.00 0.00 0.00 30 T H H 81.49 3.33 15.21 19.42 92.57 49.35 -65.56 -40.26 2.30 0.01 97.68 0.33 0.16 1.63 97.55 0.32 0.01 0.01 0.00 31 M H H 139.04 1.14 15.34 15.70 92.22 50.85 -67.06 -33.51 7.35 0.01 92.64 0.24 0.32 6.79 92.29 0.33 0.01 0.00 0.01 32 D C T 82.93 4.57 12.80 18.79 94.72 47.75 -87.44 -2.48 74.80 0.03 25.17 0.47 2.06 70.25 26.63 0.55 0.00 0.01 0.03 33 G C T 42.83 3.90 14.84 20.14 95.82 -113.36 78.76 11.86 97.79 0.02 2.19 3.33 3.69 90.45 2.33 0.17 0.00 0.01 0.01 34 L H H 54.55 8.23 13.35 23.62 94.89 125.55 -71.67 -33.85 12.63 0.08 87.29 9.72 1.34 1.71 86.47 0.70 0.00 0.02 0.03 35 I H H 59.34 10.16 13.86 25.12 92.75 55.62 -64.22 -41.79 2.24 0.03 97.73 0.75 0.31 1.07 96.93 0.92 0.00 0.01 0.00 36 E H H 109.18 2.56 17.78 20.28 92.20 50.70 -65.18 -40.08 1.24 0.02 98.73 0.39 0.14 0.63 97.79 1.03 0.00 0.02 0.00 37 D H H 74.62 3.12 16.75 20.21 92.40 50.14 -65.80 -40.37 1.20 0.02 98.78 0.28 0.14 0.69 97.85 1.03 0.00 0.01 0.00 38 I H H 49.52 7.92 13.52 23.38 92.75 50.40 -65.24 -41.92 1.86 0.02 98.12 0.35 0.22 1.16 97.38 0.87 0.00 0.01 0.00 39 K H H 96.05 5.19 13.89 20.50 92.63 51.27 -64.67 -39.94 4.64 0.04 95.32 0.80 0.49 3.18 93.72 1.77 0.01 0.02 0.01 40 H H H 115.06 2.75 13.55 17.16 93.05 51.41 -67.57 -36.03 11.33 0.05 88.62 1.22 0.90 8.92 85.68 3.20 0.03 0.02 0.02 41 R H H 148.79 2.58 13.26 16.52 96.40 48.65 -77.16 -34.63 18.87 0.14 80.99 2.15 2.04 14.67 75.42 5.48 0.09 0.06 0.08 42 R H H 147.93 2.87 12.98 16.65 99.68 36.25 -85.65 -31.09 42.47 0.33 57.20 2.93 4.50 34.42 50.50 7.15 0.14 0.15 0.22 43 Y C T 132.02 4.33 12.44 17.96 105.83 22.86 -112.33 0.76 60.23 1.18 38.59 9.14 9.99 40.57 32.07 6.82 0.14 0.56 0.71 44 Y C C 121.11 6.31 10.23 18.26 117.47 101.18 -100.99 128.74 83.01 8.42 8.57 58.87 13.55 9.87 5.86 2.92 0.02 4.26 4.66 45 E C C 90.41 6.76 10.60 19.26 117.34 -155.94 -100.39 136.37 90.26 6.21 3.53 78.25 8.75 2.37 2.94 0.91 0.00 2.72 4.07 46 K C C 117.60 3.57 12.60 17.56 115.06 -114.21 -70.80 148.73 90.48 0.58 8.94 77.03 7.62 5.47 7.31 1.99 0.00 0.27 0.30 47 P C T 89.91 3.11 12.19 16.46 96.85 -85.90 -63.59 -26.88 68.92 0.26 30.82 9.18 8.00 50.61 26.66 5.22 0.01 0.12 0.19 48 C C T 71.01 3.71 11.41 16.12 96.85 53.19 -72.54 -22.10 59.35 0.29 40.36 12.01 6.17 40.21 35.94 5.33 0.02 0.12 0.20 49 R H H 125.34 3.34 12.58 17.18 93.88 66.40 -66.77 -38.73 9.76 0.12 90.12 5.47 1.97 2.92 87.72 1.82 0.00 0.05 0.04 50 R H H 132.76 2.57 13.63 17.06 92.75 53.05 -64.77 -41.31 2.51 0.02 97.47 0.98 0.38 1.07 96.91 0.65 0.00 0.01 0.00 51 R H H 133.57 2.08 14.43 16.72 92.26 50.34 -65.39 -40.07 1.20 0.01 98.78 0.42 0.15 0.55 98.45 0.42 0.00 0.00 0.00 52 Q H H 97.19 2.92 14.86 18.37 92.10 50.19 -64.94 -40.80 0.52 0.00 99.47 0.16 0.06 0.24 99.36 0.18 0.00 0.00 0.00 53 R H H 124.13 2.65 15.61 18.66 91.98 49.94 -64.48 -41.18 0.32 0.00 99.67 0.07 0.03 0.17 99.65 0.09 0.00 0.00 0.00 54 E H H 97.83 2.27 16.19 18.42 91.76 49.99 -64.05 -41.42 0.24 0.00 99.76 0.04 0.02 0.13 99.75 0.06 0.00 0.00 0.00 55 S H H 52.26 3.01 15.67 19.31 91.90 50.42 -63.99 -41.43 0.29 0.00 99.71 0.04 0.02 0.17 99.71 0.06 0.00 0.00 0.00 56 Y H H 114.57 3.32 15.70 19.58 92.06 50.23 -64.71 -41.35 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 57 E H H 95.63 2.42 16.14 18.64 91.76 50.62 -64.10 -41.46 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 58 R H H 133.41 1.78 16.62 17.79 92.00 49.90 -64.55 -41.28 0.28 0.00 99.72 0.02 0.01 0.19 99.72 0.05 0.00 0.00 0.00 59 C H H 63.95 3.27 14.90 18.92 91.96 50.07 -64.41 -40.92 0.51 0.00 99.49 0.05 0.02 0.36 99.50 0.07 0.00 0.00 0.00 60 R H H 130.26 2.80 15.72 18.75 91.92 50.72 -64.29 -40.62 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 61 R H H 133.35 1.79 16.29 17.59 91.84 50.76 -64.27 -41.41 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 62 I H H 89.07 2.42 15.97 18.39 91.86 49.28 -64.38 -42.20 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 63 Y H H 114.55 3.54 15.20 19.28 91.85 49.52 -64.38 -41.90 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 64 N H H 86.06 2.40 15.92 18.44 91.79 50.09 -64.26 -40.86 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 65 M H H 101.38 1.86 16.38 17.68 91.82 50.31 -64.28 -41.16 0.19 0.00 99.81 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 66 E H H 93.51 3.12 15.58 19.24 91.96 50.16 -64.57 -41.16 0.31 0.00 99.69 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 67 M H H 89.75 3.34 15.19 19.12 92.01 50.04 -64.85 -40.53 0.57 0.00 99.43 0.07 0.03 0.37 99.47 0.05 0.00 0.00 0.00 68 A H H 57.62 2.21 15.67 18.00 91.60 51.12 -63.54 -40.93 0.31 0.00 99.69 0.05 0.02 0.17 99.73 0.04 0.00 0.00 0.00 69 R H H 133.12 1.95 15.68 17.50 92.07 50.36 -64.86 -40.23 0.26 0.00 99.74 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 70 K H H 110.44 2.84 15.41 18.57 92.00 50.73 -64.65 -41.48 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 71 I H H 89.51 2.47 14.95 17.66 91.95 49.61 -64.41 -41.54 0.17 0.00 99.83 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 72 N H H 86.34 2.02 14.93 17.01 91.88 50.39 -64.13 -40.64 0.40 0.00 99.60 0.04 0.02 0.25 99.58 0.12 0.00 0.00 0.00 73 F H H 106.33 2.46 13.80 16.89 92.17 50.52 -64.58 -41.06 1.01 0.00 98.99 0.10 0.06 0.71 98.81 0.32 0.00 0.00 0.00 74 L H H 87.84 2.44 13.15 16.20 92.21 49.91 -64.92 -40.74 2.37 0.01 97.62 0.34 0.22 1.60 97.18 0.65 0.00 0.00 0.00 75 M H H 109.13 2.16 12.44 15.20 92.37 51.36 -66.04 -37.09 10.09 0.08 89.83 2.11 1.21 6.64 88.43 1.53 0.02 0.03 0.04 76 R H H 150.35 2.09 11.19 14.29 93.73 52.67 -70.34 -30.34 24.42 0.26 75.32 6.20 2.97 15.69 72.57 2.30 0.03 0.10 0.15 77 K H H 140.99 2.07 11.00 14.03 95.51 57.27 -73.65 -25.28 39.45 0.41 60.14 10.91 7.82 21.49 57.07 2.28 0.04 0.14 0.26 78 N C H 124.51 1.37 10.82 12.59 100.82 43.93 -96.03 10.64 68.17 0.59 31.24 28.48 13.24 25.87 29.49 2.32 0.01 0.19 0.41 79 R C C 135.19 4.13 8.00 14.26 115.88 120.04 -87.62 134.46 94.19 0.72 5.09 76.74 10.65 6.66 3.83 1.25 0.00 0.29 0.58 80 A C C 85.70 1.90 10.63 13.81 113.02 -122.16 -75.46 145.81 96.56 0.94 2.50 75.39 16.66 4.37 1.38 0.99 0.00 0.33 0.87 81 D C C 82.79 5.23 8.69 15.77 111.06 -107.94 -85.96 118.06 99.08 0.47 0.44 88.16 10.07 0.78 0.16 0.24 0.00 0.16 0.42 82 P C T 94.73 3.69 9.92 15.55 93.92 -150.47 -65.54 -19.77 90.73 0.35 8.92 11.49 9.96 68.48 1.24 8.42 0.00 0.18 0.24 83 W C T 165.23 3.58 8.71 13.87 99.60 58.84 -91.51 6.57 88.97 0.57 10.46 11.07 9.32 67.82 1.61 9.50 0.00 0.29 0.39 84 Q C T 128.82 2.67 8.50 13.18 108.48 124.73 -69.69 124.49 88.76 0.96 10.28 17.12 11.30 59.71 1.24 9.51 0.00 0.45 0.67 85 G C T 64.09 0.89 11.00 11.93 99.02 15.58 81.09 1.27 96.24 0.32 3.44 37.42 5.11 54.09 0.68 2.35 0.00 0.18 0.17 86 C C C 74.54 6.61 9.87 17.81 101.98 96.59 -87.40 24.79 99.84 0.12 0.04 99.31 0.47 0.11 0.01 0.01 0.00 0.05 0.05