# 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 G C C 34.27 8.38 15.57 24.77 110.98 39.62 80.69 -131.11 99.89 0.03 0.08 99.71 0.10 0.12 0.04 0.00 0.00 0.01 0.01 1 G C C 36.24 7.96 12.52 21.46 103.03 33.78 -68.16 -8.30 71.57 0.35 28.08 61.57 1.25 6.50 29.41 0.95 0.00 0.12 0.20 2 Q H H 119.20 2.33 13.21 16.16 95.82 69.45 -68.88 -33.51 23.33 0.30 76.37 12.64 4.27 7.28 73.65 1.89 0.01 0.11 0.14 3 W H H 121.68 4.31 12.52 18.35 93.86 59.57 -65.94 -39.32 8.51 0.19 91.30 3.81 1.55 3.80 87.50 3.15 0.02 0.11 0.06 4 R H H 72.70 9.50 10.52 21.36 93.40 52.39 -66.19 -39.73 4.80 0.24 94.96 2.24 0.78 2.17 90.45 4.11 0.01 0.17 0.05 5 L H H 99.81 3.94 12.40 17.72 93.23 51.11 -66.19 -39.78 4.06 0.21 95.74 1.52 0.58 2.14 90.84 4.71 0.01 0.16 0.04 6 Q H H 141.11 1.09 13.23 14.06 92.40 52.97 -67.43 -28.42 11.96 0.21 87.83 1.73 1.15 9.20 83.23 4.42 0.06 0.12 0.08 7 Q C T 109.64 3.78 11.30 16.66 95.08 49.86 -90.93 3.44 76.05 0.08 23.87 0.91 1.85 73.33 21.47 2.34 0.00 0.03 0.08 8 G C T 59.58 1.36 14.63 15.94 97.22 -105.42 82.10 10.86 99.46 0.02 0.52 2.48 2.27 94.86 0.26 0.11 0.00 0.01 0.01 9 L C C 60.72 10.52 8.62 20.21 119.44 135.11 -93.60 142.94 96.93 2.48 0.59 85.39 10.32 0.82 0.29 0.26 0.00 0.79 2.13 10 A C C 54.86 4.93 13.69 20.19 115.79 -106.57 -68.44 151.02 97.90 1.59 0.51 92.49 4.24 1.28 0.16 0.29 0.00 0.68 0.86 11 A C S 82.28 4.38 12.78 18.94 95.60 -118.99 -68.03 -25.95 98.30 1.28 0.42 32.56 63.28 2.61 0.10 0.27 0.00 0.54 0.64 12 N C S 86.63 4.24 13.60 19.29 115.64 40.67 -122.93 109.46 97.46 2.21 0.33 40.25 55.28 1.89 0.09 0.22 0.00 0.75 1.53 13 P C T 86.59 8.18 10.97 20.65 93.62 -149.97 -67.68 -15.28 95.50 0.51 3.99 13.28 14.52 66.75 0.33 4.58 0.00 0.29 0.26 14 S C T 82.94 2.71 14.38 17.69 95.21 62.38 -88.11 -3.40 94.57 0.88 4.55 12.11 14.85 66.88 0.51 4.70 0.00 0.49 0.46 15 G C C 32.73 7.07 12.08 20.75 118.27 97.73 -85.76 156.05 93.16 2.66 4.17 48.32 35.43 8.64 0.62 4.06 0.00 1.09 1.83 16 Y C C 145.00 5.48 13.37 20.76 125.09 -149.01 -121.15 145.83 94.31 4.22 1.47 69.46 20.90 3.04 0.51 0.97 0.00 1.33 3.78 17 G C C 23.63 8.74 13.43 23.49 134.06 155.34 -136.47 174.96 96.03 1.39 2.58 63.55 30.53 1.79 1.71 0.77 0.00 0.39 1.26 18 P H G 81.59 5.55 15.88 22.58 91.76 -80.90 -63.71 -27.63 42.66 0.22 57.12 2.73 3.89 34.42 16.22 42.43 0.02 0.11 0.18 19 L H G 60.35 11.94 12.79 25.40 92.78 59.58 -74.85 -19.81 37.59 0.20 62.21 2.03 2.91 31.25 14.67 48.86 0.01 0.11 0.16 20 T H G 52.04 11.46 12.72 24.90 92.78 65.26 -70.34 -23.12 32.77 0.38 66.85 3.26 4.23 23.87 14.95 53.22 0.03 0.20 0.24 21 E H G 131.95 2.74 15.84 19.12 98.28 49.72 -95.87 1.65 48.99 0.72 50.29 7.17 9.16 31.88 10.25 40.54 0.05 0.33 0.62 22 L C S 62.99 8.36 9.24 19.39 118.14 107.01 -80.91 144.31 97.96 1.13 0.92 39.18 57.07 1.52 0.41 0.39 0.00 0.30 1.12 23 P C T 104.06 2.45 13.13 16.53 96.41 -112.17 -62.23 -25.29 87.10 0.47 12.43 12.31 11.12 61.70 1.06 13.27 0.00 0.24 0.31 24 D C T 103.21 3.52 12.94 17.30 96.80 55.41 -78.25 0.37 86.40 0.80 12.81 10.08 11.82 62.73 1.10 13.43 0.00 0.47 0.39 25 W C C 97.26 10.09 10.38 21.40 108.53 82.58 -97.22 86.85 78.61 6.31 15.08 47.78 18.28 11.59 1.80 14.55 0.00 3.63 2.36 26 S C C 49.70 5.81 12.13 19.82 126.42 142.51 -114.48 156.13 52.97 45.33 1.69 42.42 6.49 1.17 0.93 0.78 0.00 13.84 34.36 27 Y C C 97.06 6.66 9.87 18.24 123.65 -127.60 -89.60 166.84 77.27 21.94 0.80 71.71 4.03 0.76 0.41 0.39 0.00 10.95 11.76 28 A C T 95.59 1.54 10.24 12.84 91.45 -97.27 -63.22 -24.43 95.09 2.46 2.44 2.11 7.60 85.59 0.18 2.20 0.00 1.72 0.59 29 D C T 119.51 0.82 10.62 11.06 94.45 54.40 -88.72 1.66 97.26 0.33 2.42 0.82 6.51 89.93 0.11 2.31 0.00 0.18 0.14 30 G C S 54.61 2.33 10.20 14.09 95.78 -103.35 82.00 6.61 97.54 0.99 1.47 10.01 82.28 5.46 0.14 1.15 0.00 0.43 0.53 31 R C C 141.85 2.34 10.83 14.89 118.59 129.05 -90.45 142.35 95.63 4.30 0.06 74.22 21.48 0.36 0.02 0.05 0.00 2.54 1.33 32 P E B 89.79 4.32 11.25 17.45 114.49 -103.79 -64.54 147.11 22.98 76.82 0.20 17.43 1.37 0.05 0.16 0.03 0.00 10.06 70.90 33 A C C 57.05 7.27 9.90 18.84 117.48 -112.25 -80.83 146.97 96.61 3.32 0.07 89.70 7.03 0.19 0.02 0.04 0.00 2.02 1.00 34 P C C 92.61 3.44 12.84 17.75 115.09 -99.85 -67.57 149.16 99.41 0.45 0.14 88.57 10.45 0.45 0.06 0.05 0.00 0.18 0.24 35 P C C 78.92 6.87 9.92 18.49 114.42 -104.71 -67.17 148.58 98.79 0.46 0.75 94.68 3.35 0.83 0.46 0.18 0.00 0.15 0.35 36 M C C 104.51 3.80 10.98 16.40 115.52 -112.59 -76.04 154.88 96.66 1.41 1.93 91.77 3.87 0.87 1.55 0.28 0.00 0.34 1.32 37 K H H 162.01 1.09 12.41 13.58 93.63 -106.59 -60.57 -37.63 8.28 0.04 91.68 2.12 1.90 4.47 89.91 1.55 0.01 0.01 0.02 38 G H H 43.28 1.92 12.94 15.21 93.02 50.90 -62.82 -39.51 6.56 0.02 93.42 1.24 0.93 4.21 91.80 1.79 0.01 0.01 0.01 39 Q H H 75.65 5.47 11.76 19.02 92.87 52.23 -66.63 -39.05 2.52 0.02 97.46 0.97 0.33 1.22 96.01 1.45 0.00 0.01 0.00 40 L H H 82.94 3.87 13.72 18.93 92.05 52.24 -63.48 -41.64 1.04 0.01 98.95 0.39 0.12 0.45 98.62 0.42 0.00 0.00 0.00 41 R H H 147.65 1.31 16.31 16.57 91.80 50.06 -64.55 -41.03 0.88 0.00 99.12 0.27 0.08 0.41 99.03 0.20 0.00 0.00 0.00 42 R H H 119.42 2.72 15.37 18.58 92.06 50.10 -64.55 -41.35 0.87 0.00 99.13 0.24 0.07 0.43 99.10 0.16 0.00 0.00 0.00 43 K H H 98.99 4.20 15.40 20.66 91.87 50.49 -64.27 -41.50 0.65 0.00 99.34 0.15 0.05 0.33 99.36 0.11 0.00 0.00 0.00 44 A H H 56.69 2.35 16.31 18.70 91.66 50.30 -63.84 -41.15 0.62 0.00 99.37 0.12 0.04 0.33 99.42 0.09 0.00 0.00 0.00 45 E H H 108.28 1.99 16.58 18.14 91.77 49.88 -64.51 -40.89 0.65 0.00 99.35 0.09 0.04 0.37 99.42 0.08 0.00 0.00 0.00 46 R H H 127.17 2.89 15.69 19.15 91.98 49.97 -64.80 -40.47 0.48 0.00 99.52 0.06 0.03 0.28 99.57 0.06 0.00 0.00 0.00 47 E H H 100.30 2.64 15.99 18.94 91.83 50.42 -64.31 -41.17 0.26 0.00 99.74 0.03 0.01 0.14 99.76 0.05 0.00 0.00 0.00 48 T H H 73.98 1.99 16.84 18.27 91.86 50.02 -64.11 -41.59 0.37 0.00 99.63 0.04 0.02 0.23 99.64 0.08 0.00 0.00 0.00 49 F H H 107.22 2.54 16.16 18.83 92.00 49.60 -64.39 -41.69 0.64 0.00 99.36 0.06 0.03 0.44 99.37 0.09 0.00 0.00 0.00 50 A H H 51.42 3.41 14.95 19.44 91.77 50.72 -63.97 -40.96 0.37 0.00 99.63 0.05 0.02 0.21 99.68 0.04 0.00 0.00 0.00 51 R H H 140.39 1.81 16.64 18.00 91.81 50.53 -64.70 -41.11 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 52 R H H 136.15 1.92 16.59 18.12 91.90 50.01 -64.71 -41.35 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 53 V H H 78.41 3.04 16.08 19.46 92.05 49.52 -64.63 -42.19 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 V H H 79.33 2.62 16.36 19.10 91.90 49.16 -64.02 -42.17 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 L H H 90.49 2.18 16.61 18.56 91.76 49.84 -63.93 -41.63 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 56 L H H 87.43 2.64 16.08 18.90 91.82 49.91 -64.20 -41.23 0.29 0.00 99.71 0.02 0.01 0.18 99.75 0.03 0.00 0.00 0.00 57 S H H 56.30 2.86 15.67 19.02 91.73 50.52 -64.82 -40.55 0.45 0.00 99.55 0.05 0.02 0.28 99.61 0.04 0.00 0.00 0.00 58 Q H H 105.13 1.91 16.74 18.09 91.92 50.40 -64.48 -40.90 0.73 0.00 99.27 0.06 0.04 0.49 99.35 0.05 0.00 0.00 0.00 59 E H H 108.08 2.12 16.49 18.33 91.99 49.95 -64.83 -41.48 0.44 0.00 99.56 0.06 0.03 0.27 99.59 0.05 0.00 0.00 0.00 60 M H H 96.60 3.05 15.87 19.17 91.92 49.30 -64.41 -41.59 0.21 0.00 99.79 0.03 0.01 0.11 99.81 0.03 0.00 0.00 0.00 61 D H H 82.33 2.24 16.87 18.89 91.64 50.07 -64.35 -41.26 0.24 0.00 99.76 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 62 A H H 59.16 2.10 16.84 18.54 91.81 50.33 -64.12 -40.96 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 63 G H H 32.44 3.31 15.52 19.67 91.66 50.79 -63.67 -41.20 0.28 0.00 99.72 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 64 L H H 88.78 2.56 16.18 18.88 91.80 50.18 -64.68 -41.15 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.03 0.00 0.00 0.00 65 Q H H 104.95 1.66 17.15 17.85 92.01 50.04 -64.20 -41.40 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 66 A H H 56.55 2.24 16.01 18.27 91.68 49.92 -63.63 -41.62 0.28 0.00 99.72 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 67 W H H 130.93 2.59 15.41 18.32 91.93 49.57 -64.43 -41.54 0.30 0.00 99.70 0.04 0.01 0.18 99.71 0.06 0.00 0.00 0.00 68 Q H H 99.47 1.94 15.75 17.48 91.74 50.69 -63.86 -41.05 0.37 0.00 99.63 0.05 0.02 0.21 99.65 0.06 0.00 0.00 0.00 69 L H H 92.86 1.73 15.67 16.87 91.83 50.06 -63.96 -41.31 0.62 0.00 99.38 0.11 0.04 0.36 99.41 0.08 0.00 0.00 0.00 70 R H H 132.39 1.85 15.56 17.17 91.81 49.91 -64.25 -40.58 0.92 0.00 99.08 0.19 0.07 0.51 99.12 0.11 0.00 0.00 0.00 71 Q H H 97.43 2.16 14.93 17.27 91.84 50.14 -64.65 -40.47 1.15 0.00 98.85 0.30 0.10 0.57 98.90 0.13 0.00 0.00 0.00 72 Q H H 101.04 1.68 15.44 16.62 91.59 50.48 -64.53 -40.81 1.45 0.00 98.55 0.46 0.12 0.66 98.61 0.16 0.00 0.00 0.00 73 K H H 117.03 1.58 15.47 16.45 91.77 50.25 -64.48 -40.57 1.66 0.00 98.34 0.50 0.13 0.75 98.44 0.17 0.00 0.00 0.00 74 L H H 86.42 2.08 14.63 16.90 91.65 50.12 -64.55 -40.90 1.39 0.00 98.61 0.47 0.11 0.59 98.67 0.16 0.00 0.00 0.00 75 Q H H 99.07 1.73 14.90 16.34 91.71 50.20 -64.27 -41.32 1.25 0.00 98.74 0.42 0.10 0.53 98.81 0.14 0.00 0.00 0.00 76 E H H 105.25 1.56 14.72 15.76 91.76 49.84 -64.52 -40.80 1.25 0.00 98.75 0.41 0.10 0.54 98.81 0.13 0.00 0.00 0.00 77 E H H 103.83 1.64 14.03 15.51 91.70 50.33 -64.45 -40.87 1.21 0.00 98.79 0.36 0.10 0.55 98.84 0.15 0.00 0.00 0.00 78 Q H H 101.54 1.63 13.15 14.84 91.62 50.64 -64.62 -40.12 1.56 0.00 98.44 0.46 0.13 0.73 98.48 0.20 0.00 0.00 0.00 79 R H H 139.01 1.31 12.71 13.77 91.86 50.74 -64.66 -40.41 2.13 0.01 97.86 0.71 0.21 0.99 97.77 0.32 0.00 0.00 0.00 80 K H H 128.96 1.25 11.86 13.01 92.25 50.87 -65.61 -39.75 3.22 0.02 96.76 1.09 0.34 1.54 96.47 0.54 0.00 0.01 0.01 81 Q H H 124.12 1.24 10.76 12.29 92.64 50.77 -66.61 -37.60 5.61 0.02 94.37 1.55 0.60 3.07 93.87 0.90 0.00 0.01 0.01 82 E H H 142.89 1.05 10.07 11.40 93.17 51.46 -68.90 -32.24 14.58 0.03 85.38 2.60 1.20 9.94 85.23 1.00 0.01 0.01 0.02 83 N H H 126.64 0.95 9.64 10.76 96.44 50.80 -82.41 -9.10 44.49 0.07 55.44 13.99 1.01 26.65 57.35 0.91 0.00 0.02 0.06 84 A C C 74.45 3.09 9.97 14.61 102.33 90.54 -77.37 15.40 99.84 0.01 0.15 99.26 0.19 0.38 0.15 0.01 0.00 0.01 0.00