# 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 116.65 5.29 10.94 17.93 115.90 -155.83 -93.83 131.44 99.96 0.03 0.01 99.89 0.06 0.03 0.00 0.00 0.00 0.01 0.00 1 S C C 72.35 4.25 8.97 15.00 114.50 -154.78 -94.42 141.99 92.25 0.94 6.81 86.54 1.00 6.01 1.68 3.85 0.00 0.49 0.42 2 E C C 154.20 1.45 9.82 12.19 105.27 -132.69 -86.90 62.11 87.91 1.60 10.50 52.50 19.72 15.49 1.92 8.75 0.00 0.81 0.80 3 H C C 116.30 6.12 7.62 15.15 113.54 91.70 -91.40 129.01 88.08 1.87 10.05 60.04 17.54 10.01 1.90 8.58 0.00 0.97 0.95 4 Q C C 125.98 2.90 11.22 15.85 114.55 -149.24 -92.08 133.57 92.07 2.41 5.52 76.71 11.51 3.68 1.76 3.65 0.00 1.07 1.60 5 R C C 152.03 5.24 10.62 17.78 115.87 -134.06 -94.75 131.84 98.26 0.84 0.90 81.54 15.86 0.95 0.41 0.38 0.00 0.35 0.52 6 P C C 62.68 10.50 9.50 20.88 115.38 -112.84 -69.16 150.11 96.97 0.63 2.41 90.13 4.38 2.77 0.63 1.49 0.00 0.28 0.31 7 E C C 147.57 1.71 16.56 18.49 113.34 -111.98 -82.43 139.12 96.07 1.02 2.91 76.54 15.80 3.61 0.77 2.10 0.00 0.38 0.81 8 L C C 88.25 11.19 11.42 23.18 114.61 -112.81 -79.31 136.47 97.25 0.94 1.81 79.41 16.43 1.46 0.65 1.00 0.00 0.36 0.69 9 V C C 41.81 12.20 11.83 25.22 117.13 -116.69 -80.11 148.60 98.28 0.69 1.03 94.64 3.24 0.70 0.42 0.36 0.00 0.28 0.36 10 S C C 49.68 4.06 18.90 23.26 121.81 -131.13 -89.56 160.21 95.10 3.50 1.41 90.86 3.16 0.87 0.53 0.61 0.00 1.00 2.97 11 F C G 77.66 15.51 9.92 25.05 91.29 -115.67 -62.11 -29.71 54.48 2.07 43.45 17.10 12.29 25.16 2.88 40.57 0.01 1.04 0.96 12 D C G 121.13 1.36 15.09 16.51 91.22 63.84 -71.81 -15.93 58.03 0.59 41.38 4.70 9.19 41.02 1.72 42.76 0.00 0.32 0.27 13 D C G 108.68 1.91 14.84 17.04 95.44 53.60 -92.41 -1.14 55.59 0.96 43.45 12.65 11.13 29.79 1.74 43.80 0.00 0.51 0.38 14 I C C 38.57 15.92 6.77 21.73 122.75 89.67 -97.54 144.03 96.68 1.74 1.58 72.54 22.46 1.11 0.66 0.76 0.00 0.45 2.02 15 N C C 88.67 2.88 17.56 20.61 108.69 -130.95 -91.59 114.97 98.80 0.85 0.35 97.50 1.00 0.28 0.12 0.10 0.00 0.26 0.73 16 Y C T 117.53 11.33 9.69 21.80 92.25 -156.40 -65.86 -21.58 99.58 0.05 0.37 1.33 3.38 94.95 0.05 0.23 0.00 0.03 0.03 17 N C T 135.20 0.72 14.81 14.06 92.28 60.14 -82.81 -9.93 99.72 0.03 0.26 0.87 4.09 94.81 0.02 0.19 0.00 0.02 0.01 18 D C C 65.80 5.48 10.61 18.32 109.12 85.70 -97.98 106.30 99.47 0.37 0.15 84.61 14.62 0.15 0.08 0.05 0.00 0.08 0.41 19 H H H 127.73 3.80 11.52 17.62 93.03 -166.07 -63.12 -35.28 4.56 0.01 95.43 0.88 0.72 2.92 94.86 0.60 0.00 0.00 0.01 20 K H H 142.91 1.13 16.05 16.12 91.76 54.39 -64.37 -40.66 2.00 0.01 97.99 0.24 0.18 1.51 97.42 0.63 0.00 0.00 0.00 21 K H H 75.99 6.45 14.66 22.78 92.08 49.03 -65.75 -40.62 0.64 0.00 99.35 0.15 0.05 0.36 98.87 0.57 0.00 0.00 0.00 22 V H H 37.12 12.12 13.57 26.86 91.79 50.77 -63.60 -42.77 0.27 0.00 99.73 0.07 0.02 0.13 99.63 0.16 0.00 0.00 0.00 23 R H H 127.58 2.54 20.90 22.78 91.48 49.68 -63.97 -41.58 0.21 0.00 99.79 0.04 0.01 0.11 99.78 0.06 0.00 0.00 0.00 24 E H H 100.15 2.74 21.70 23.65 91.71 49.49 -64.70 -41.16 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 25 A H H 15.09 13.65 15.53 30.71 91.79 51.15 -63.75 -41.88 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 26 Q H H 81.02 7.33 20.65 28.57 91.66 50.80 -63.79 -41.26 0.28 0.00 99.72 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 27 E H H 101.53 2.55 22.72 24.05 91.64 49.65 -64.33 -41.33 0.36 0.00 99.64 0.05 0.02 0.21 99.68 0.05 0.00 0.00 0.00 28 S H H 34.21 8.30 19.07 28.64 91.96 50.68 -64.74 -41.33 0.47 0.00 99.53 0.06 0.02 0.28 99.59 0.04 0.00 0.00 0.00 29 Y H H 69.53 12.07 18.04 30.55 91.98 50.67 -64.14 -41.81 0.42 0.00 99.58 0.06 0.02 0.24 99.64 0.04 0.00 0.00 0.00 30 T H H 66.75 3.84 21.67 25.36 91.65 49.96 -63.67 -42.22 0.26 0.00 99.74 0.04 0.01 0.13 99.78 0.03 0.00 0.00 0.00 31 R H H 116.14 3.70 21.62 25.15 91.54 49.47 -64.56 -41.80 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 32 E H H 45.84 12.36 17.47 30.65 91.80 50.46 -64.41 -41.13 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.03 0.00 0.00 0.00 33 Q H H 75.63 7.99 19.51 28.15 91.79 51.33 -63.83 -40.86 0.29 0.00 99.71 0.02 0.01 0.20 99.73 0.04 0.00 0.00 0.00 34 F H H 109.57 3.03 21.66 23.99 91.71 50.29 -64.31 -41.87 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.03 0.00 0.00 0.00 35 I H H 60.07 7.84 19.65 28.43 91.71 49.37 -64.23 -42.66 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 36 R H H 85.42 11.99 18.97 30.97 91.69 51.22 -63.23 -41.43 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 37 L H H 71.09 5.98 20.59 27.10 91.68 50.35 -64.03 -41.63 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 38 E H H 91.74 3.52 22.59 25.52 91.65 49.80 -64.47 -41.59 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 A H H 25.85 11.47 19.18 31.68 91.57 50.39 -64.38 -41.86 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.01 0.00 0.00 0.00 40 L H H 37.62 12.88 18.28 31.96 91.73 51.29 -63.52 -41.43 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 41 K H H 112.75 2.87 22.97 25.04 91.63 50.44 -64.02 -41.77 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.01 0.00 0.00 0.00 42 T H H 58.63 5.58 21.72 27.39 91.56 49.33 -64.46 -42.42 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 43 V H H 25.26 15.93 17.76 34.02 92.00 49.07 -64.13 -42.53 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 44 R H H 104.99 8.57 20.56 29.62 91.49 51.30 -62.94 -41.80 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 45 K H H 113.15 2.10 23.85 24.20 91.46 49.33 -64.66 -41.63 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 46 A H H 30.56 9.24 19.98 30.40 91.79 49.95 -64.62 -41.51 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 47 L H H 23.65 17.12 16.74 34.06 91.57 50.83 -64.02 -41.57 0.19 0.00 99.81 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 48 E H H 99.19 3.89 22.58 26.35 91.58 50.95 -63.31 -41.79 0.29 0.00 99.71 0.02 0.01 0.19 99.77 0.02 0.00 0.00 0.00 49 K H H 107.70 2.43 22.75 23.83 91.68 49.35 -64.58 -41.27 0.40 0.00 99.60 0.02 0.01 0.28 99.65 0.03 0.00 0.00 0.00 50 C H H 13.17 13.39 14.80 30.08 91.64 50.48 -63.41 -42.19 0.26 0.00 99.74 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 51 Y H H 82.06 10.72 14.99 26.58 92.01 50.74 -64.10 -40.81 0.15 0.00 99.85 0.01 0.01 0.09 99.83 0.05 0.00 0.00 0.00 52 E H H 141.95 1.19 17.55 17.63 92.53 48.47 -66.53 -39.18 0.30 0.00 99.70 0.01 0.01 0.24 99.64 0.09 0.00 0.00 0.00 53 E H H 127.04 2.34 16.20 18.64 97.50 37.74 -80.21 -37.13 1.48 0.00 98.52 0.02 0.05 1.44 98.33 0.16 0.00 0.00 0.00 54 S H H 49.72 7.77 11.69 20.91 101.94 28.23 -105.74 -13.40 9.75 0.01 90.23 0.31 0.96 8.28 90.15 0.28 0.01 0.00 0.01 55 G C C 29.32 3.85 15.25 20.74 125.86 -133.45 84.17 -169.73 81.45 0.35 18.21 53.52 12.42 13.31 2.21 18.12 0.00 0.14 0.29 56 P C T 110.13 2.34 13.94 17.22 94.04 -30.79 -67.96 -21.43 75.10 0.17 24.73 1.51 9.25 64.46 1.74 22.81 0.00 0.08 0.15 57 N C T 94.26 3.37 15.09 19.47 96.77 52.13 -93.35 16.83 70.73 0.12 29.14 9.36 6.02 54.16 4.77 25.52 0.00 0.06 0.12 58 H H H 39.78 14.24 10.85 25.96 93.96 127.02 -59.04 -39.24 10.91 0.05 89.04 3.41 1.88 5.67 79.18 9.80 0.01 0.01 0.03 59 F H H 102.72 9.19 15.05 24.99 92.13 51.04 -64.79 -36.38 5.34 0.01 94.65 0.44 0.50 4.11 84.66 10.25 0.01 0.01 0.01 60 E H H 131.80 1.38 18.96 18.83 93.33 47.10 -70.49 -38.86 3.25 0.01 96.74 0.19 0.24 2.63 86.98 9.94 0.00 0.00 0.00 61 D H H 80.39 5.40 16.96 23.18 97.01 39.65 -85.73 -27.94 7.89 0.01 92.10 0.27 0.54 7.04 84.57 7.57 0.01 0.00 0.01 62 C C T 12.78 19.18 10.64 29.84 101.22 34.99 -113.06 10.77 55.78 0.17 44.05 7.06 4.65 43.36 37.58 7.08 0.04 0.06 0.19 63 K H H 101.07 7.62 16.16 25.52 92.43 112.72 -58.46 -41.93 1.95 0.00 98.05 0.47 0.23 1.01 97.52 0.77 0.00 0.00 0.00 64 N H H 106.28 1.46 22.04 21.48 91.79 50.52 -64.39 -39.84 0.62 0.00 99.38 0.04 0.03 0.47 98.91 0.54 0.00 0.00 0.00 65 L H H 30.37 13.79 17.73 32.27 92.11 49.13 -65.58 -41.54 0.24 0.00 99.76 0.02 0.01 0.15 99.46 0.35 0.00 0.00 0.00 66 A H H 14.67 16.84 15.76 33.10 91.52 52.02 -62.55 -42.55 0.14 0.00 99.86 0.02 0.01 0.07 99.83 0.07 0.00 0.00 0.00 67 E H H 103.31 2.59 22.82 24.30 91.50 50.26 -63.84 -41.20 0.15 0.00 99.85 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 68 Q H H 81.39 4.97 20.99 26.25 91.72 49.92 -64.40 -41.83 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.06 0.00 0.00 0.00 69 Y H H 24.82 19.07 15.50 34.53 92.24 49.86 -64.37 -42.45 0.23 0.00 99.77 0.01 0.01 0.16 99.68 0.14 0.00 0.00 0.00 70 L H H 66.03 10.12 18.37 29.11 91.56 50.51 -64.14 -38.85 1.01 0.00 98.99 0.03 0.03 0.93 98.53 0.48 0.00 0.00 0.00 71 D H H 100.12 1.41 21.56 20.80 92.09 51.14 -67.32 -35.12 13.36 0.00 86.64 0.12 0.20 14.04 84.81 0.82 0.00 0.00 0.00 72 M H H 47.55 9.83 15.61 27.04 94.66 48.71 -76.07 -28.13 25.50 0.01 74.49 0.58 1.16 23.89 72.68 1.66 0.01 0.00 0.01 73 L H H 29.55 17.40 11.05 28.08 92.89 67.60 -63.03 -40.31 17.35 0.15 82.49 4.01 2.59 9.28 52.37 31.58 0.02 0.07 0.08 74 P H H 93.90 2.86 16.13 19.66 92.52 52.36 -66.91 -32.96 16.32 0.10 83.58 2.57 1.52 10.19 51.17 34.44 0.01 0.06 0.04 75 T H H 103.62 1.32 16.30 16.66 94.90 47.23 -78.71 -25.94 17.63 0.17 82.20 2.63 2.22 10.89 51.21 32.85 0.03 0.09 0.08 76 H C H 76.78 11.06 11.67 23.29 103.06 42.16 -103.75 7.69 52.19 1.17 46.63 21.85 16.48 15.75 32.65 11.97 0.05 0.45 0.79 77 R C C 154.47 4.41 17.07 22.83 101.93 -148.11 5.22 72.21 84.63 3.08 12.29 65.31 8.68 10.01 8.76 3.74 0.00 1.42 2.07 78 L C C 49.84 16.87 10.00 26.05 113.53 -167.79 -86.21 128.43 87.11 4.22 8.67 76.77 5.88 4.23 6.17 2.53 0.00 2.13 2.29 79 Q C C 117.92 3.46 17.23 21.97 121.04 -174.79 -120.37 141.47 83.89 4.76 11.35 60.95 11.08 11.29 8.49 3.32 0.01 2.53 2.34 80 G C C 33.64 6.08 16.36 23.53 123.25 18.31 91.03 -168.57 75.77 3.35 20.88 32.00 22.75 21.96 13.02 7.08 0.04 1.60 1.54 81 Y C H 114.86 8.83 13.94 23.55 97.91 -48.06 -72.16 -26.30 53.91 3.28 42.81 26.01 13.39 15.92 27.96 13.33 0.14 1.52 1.73 82 L H H 94.40 6.78 13.96 21.96 94.80 60.22 -66.79 -29.69 40.17 1.38 58.44 9.78 8.12 21.59 37.44 21.37 0.25 0.73 0.73 83 G H H 40.49 5.22 14.64 21.06 95.94 51.86 -63.25 -30.56 40.51 1.45 58.05 11.96 7.98 20.15 37.58 20.66 0.20 0.77 0.70 84 Y H H 119.20 6.95 13.48 21.54 97.90 52.14 -79.33 -23.92 41.03 3.10 55.87 21.51 8.96 11.82 39.10 15.60 0.11 1.73 1.17 85 Q C C 81.21 10.06 11.63 22.43 102.56 73.01 -77.51 -6.01 52.67 4.24 43.09 32.78 9.75 11.34 32.38 9.71 0.05 2.33 1.65 86 R C C 150.00 3.89 13.84 19.09 103.49 61.06 -80.87 26.11 67.87 3.63 28.50 40.73 11.27 16.01 21.58 6.89 0.03 1.89 1.61 87 N C C 96.71 5.63 11.39 18.50 104.93 63.19 -92.03 37.31 82.13 2.47 15.40 50.52 14.17 17.45 9.92 5.28 0.00 1.14 1.52 88 D C C 78.43 6.57 9.19 17.37 113.74 118.66 -93.05 122.14 95.81 1.26 2.93 70.81 21.33 3.60 1.57 1.32 0.00 0.53 0.83 89 P C C 101.12 3.14 9.44 14.36 100.61 -129.70 -70.69 -15.09 92.82 0.59 6.60 47.53 11.49 34.09 1.56 4.73 0.00 0.31 0.29 90 S C C 87.62 1.97 8.67 12.08 103.48 66.40 -82.86 24.41 93.46 0.61 5.93 63.11 3.38 28.06 1.51 3.29 0.00 0.33 0.33 91 K C C 146.20 3.07 10.22 15.02 105.58 81.36 -84.56 51.11 99.89 0.05 0.05 99.63 0.19 0.11 0.02 0.01 0.00 0.02 0.01