# 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 72.43 4.67 10.07 16.42 114.81 -146.63 -87.83 138.27 99.95 0.03 0.02 99.87 0.07 0.04 0.01 0.00 0.00 0.01 0.01 1 N C C 127.02 1.72 8.90 11.84 108.70 -136.89 -88.22 106.03 88.53 0.87 10.60 81.08 1.47 7.40 4.97 4.15 0.00 0.42 0.51 2 H C C 141.60 2.68 6.77 11.11 111.34 -133.82 -95.86 118.42 76.43 1.83 21.75 50.30 12.01 13.98 8.46 13.37 0.00 0.93 0.95 3 L C C 120.65 2.79 7.93 12.39 110.82 -150.26 -83.31 124.38 65.25 2.04 32.71 44.08 9.35 11.33 10.44 22.85 0.00 1.16 0.79 4 K C C 154.10 1.98 8.87 12.26 109.26 -148.82 -90.45 111.03 62.68 2.89 34.44 36.42 12.32 14.01 12.25 22.27 0.02 1.64 1.07 5 F C C 142.47 4.08 7.97 13.72 112.16 57.23 -95.92 116.78 64.41 7.45 28.14 40.63 12.29 11.77 11.68 16.56 0.03 4.83 2.22 6 I C C 122.46 3.28 9.60 14.40 110.73 94.98 -95.32 115.94 70.97 11.95 17.08 46.51 14.69 9.95 10.05 7.11 0.06 8.73 2.90 7 A C C 77.05 4.15 9.97 15.85 118.70 -71.29 -103.62 136.52 76.49 13.95 9.56 51.17 14.28 10.91 4.48 4.67 0.02 13.23 1.25 8 R C C 141.79 5.47 11.21 18.42 120.79 -161.67 -111.71 135.87 63.31 32.53 4.17 48.48 10.42 3.36 1.49 2.24 0.01 33.08 0.94 9 T E E 87.37 5.58 12.20 19.67 121.92 -155.60 -112.97 137.03 25.31 73.92 0.77 23.45 1.49 0.36 0.45 0.28 0.00 72.87 1.09 10 V E E 63.99 9.92 11.46 22.81 122.53 -165.97 -120.88 133.60 14.03 85.74 0.23 13.75 0.53 0.10 0.15 0.07 0.00 84.78 0.62 11 M E E 121.19 3.34 16.06 20.40 114.54 -139.17 -91.09 128.77 17.34 82.45 0.21 17.11 0.52 0.12 0.13 0.07 0.00 81.35 0.69 12 V E E 50.04 12.95 8.39 21.80 120.75 -166.32 -113.82 134.75 48.44 51.26 0.30 47.20 1.00 0.17 0.16 0.10 0.00 50.29 1.08 13 Q C C 124.92 2.44 12.91 16.41 117.53 -160.16 -106.54 133.80 65.32 31.40 3.28 49.31 9.55 5.88 0.99 2.42 0.00 29.16 2.69 14 E C T 165.48 0.88 13.28 13.75 98.06 -20.27 35.09 56.70 93.49 0.92 5.60 2.43 11.72 79.29 0.65 5.00 0.00 0.60 0.32 15 G C T 56.94 2.68 12.74 16.41 96.41 -34.70 81.15 0.75 93.69 0.69 5.63 5.60 14.17 73.49 0.71 5.33 0.00 0.43 0.26 16 N C C 80.27 4.53 13.84 19.90 106.04 121.97 -98.40 84.71 93.21 2.87 3.92 88.95 3.30 1.54 2.23 1.25 0.00 1.19 1.54 17 V H H 58.23 12.41 10.94 23.94 94.91 166.19 -67.16 -37.13 9.39 0.14 90.47 6.95 1.08 1.97 89.01 0.88 0.00 0.06 0.05 18 E H H 123.60 2.39 17.98 20.51 91.81 54.71 -63.22 -41.00 2.19 0.02 97.79 0.57 0.22 1.25 96.96 0.98 0.00 0.01 0.00 19 G H H 31.12 2.89 18.31 21.39 91.47 49.80 -64.01 -40.89 1.18 0.01 98.81 0.29 0.10 0.66 97.75 1.19 0.00 0.01 0.00 20 A H H 20.48 12.25 14.01 27.81 91.95 51.84 -63.63 -42.41 0.79 0.01 99.20 0.21 0.07 0.40 98.56 0.74 0.00 0.00 0.00 21 Y H H 92.25 9.63 17.35 27.51 91.77 50.47 -63.79 -41.41 0.60 0.01 99.39 0.13 0.05 0.30 99.34 0.17 0.00 0.00 0.00 22 R H H 144.15 1.73 20.66 21.15 91.62 50.55 -64.20 -41.57 0.47 0.00 99.53 0.09 0.04 0.23 99.59 0.05 0.00 0.00 0.00 23 T H H 58.23 5.12 18.87 24.72 91.86 49.36 -64.93 -42.09 0.33 0.00 99.67 0.05 0.02 0.16 99.73 0.03 0.00 0.00 0.00 24 L H H 38.02 14.16 15.77 30.57 91.73 49.97 -64.10 -41.78 0.22 0.00 99.78 0.03 0.01 0.11 99.82 0.02 0.00 0.00 0.00 25 N H H 69.48 7.30 17.80 26.06 91.48 51.20 -63.40 -40.68 0.26 0.00 99.74 0.03 0.01 0.14 99.80 0.02 0.00 0.00 0.00 26 R H H 134.10 1.77 20.17 20.50 91.90 50.44 -64.46 -41.55 0.41 0.00 99.59 0.06 0.03 0.22 99.67 0.03 0.00 0.00 0.00 27 I H H 57.52 7.12 17.13 25.63 91.95 49.09 -64.53 -42.41 0.42 0.00 99.58 0.06 0.04 0.22 99.63 0.04 0.00 0.00 0.00 28 L H H 36.17 12.14 13.02 26.43 92.39 49.12 -64.73 -41.05 0.88 0.01 99.10 0.17 0.09 0.49 99.13 0.11 0.00 0.00 0.00 29 T H H 81.96 3.31 15.47 19.61 92.58 49.70 -65.61 -40.21 2.32 0.01 97.66 0.33 0.16 1.64 97.54 0.31 0.00 0.01 0.00 30 M H H 136.26 1.29 15.51 16.18 92.36 51.16 -67.01 -34.06 7.00 0.01 92.98 0.25 0.33 6.40 92.69 0.31 0.01 0.00 0.01 31 D C T 81.00 4.98 12.88 19.26 94.89 47.40 -87.89 -2.98 72.78 0.03 27.18 0.50 2.17 67.80 28.94 0.55 0.00 0.01 0.03 32 G C T 41.99 4.08 15.05 20.56 96.00 -114.14 78.37 11.41 97.15 0.03 2.82 3.94 3.91 88.81 3.10 0.21 0.00 0.01 0.02 33 L H H 53.72 8.25 13.69 24.01 94.66 126.14 -69.82 -35.34 8.19 0.05 91.76 5.52 0.90 1.57 91.38 0.58 0.00 0.02 0.02 34 I H H 56.68 10.66 14.12 25.76 92.66 54.23 -64.13 -41.59 1.81 0.02 98.17 0.58 0.23 0.86 97.71 0.60 0.00 0.01 0.00 35 E H H 104.93 2.89 17.76 20.78 92.08 50.66 -65.01 -40.45 0.98 0.02 99.00 0.32 0.11 0.48 98.49 0.58 0.00 0.01 0.00 36 D H H 73.02 2.99 16.96 20.20 92.17 50.16 -65.71 -40.84 0.92 0.01 99.07 0.23 0.11 0.49 98.65 0.50 0.00 0.01 0.00 37 I H H 48.81 7.71 13.69 23.37 92.51 49.92 -65.09 -42.20 1.10 0.02 98.88 0.23 0.13 0.64 98.65 0.34 0.00 0.01 0.00 38 K H H 90.01 6.25 13.20 20.94 92.44 51.04 -64.78 -40.22 1.69 0.02 98.29 0.32 0.17 1.06 97.85 0.58 0.00 0.01 0.00 39 R H H 143.18 2.42 13.68 16.86 92.69 51.11 -66.47 -37.21 3.67 0.02 96.31 0.35 0.26 2.87 95.37 1.13 0.01 0.01 0.00 40 R H H 156.88 1.87 13.64 15.64 95.97 44.48 -76.24 -35.32 9.22 0.03 90.74 0.44 0.58 8.18 89.55 1.19 0.03 0.01 0.02 41 R H H 145.35 2.94 13.04 16.64 101.54 31.75 -93.02 -30.07 40.04 0.14 59.82 1.27 2.80 35.40 58.63 1.69 0.07 0.05 0.10 42 Y C T 127.62 4.57 12.34 18.12 109.22 16.86 -116.77 -0.91 67.09 1.06 31.85 7.98 10.58 47.11 30.43 2.72 0.10 0.46 0.62 43 Y C C 127.21 5.66 10.66 18.04 115.78 83.37 -100.86 126.69 89.86 5.06 5.07 68.23 11.78 9.38 3.33 1.76 0.00 2.74 2.78 44 E C C 82.57 7.69 9.92 19.43 117.53 -159.34 -97.85 139.09 92.61 4.65 2.73 79.54 10.09 2.20 2.22 0.71 0.00 1.87 3.37 45 K C C 118.55 3.17 12.99 17.38 114.55 -111.93 -70.98 150.40 93.46 0.43 6.11 82.71 6.72 3.88 4.99 1.27 0.00 0.19 0.24 46 P C T 91.67 3.09 12.11 16.36 96.00 -94.34 -61.96 -32.52 65.39 0.23 34.37 9.07 7.64 47.56 29.90 5.53 0.01 0.10 0.18 47 C C T 73.71 3.48 11.56 15.76 96.19 51.98 -71.74 -27.76 56.84 0.26 42.89 11.40 6.14 38.42 38.28 5.44 0.02 0.11 0.19 48 R H H 123.02 3.45 12.51 17.26 94.44 65.62 -67.16 -37.85 10.76 0.13 89.11 6.26 2.14 3.08 86.39 2.02 0.00 0.05 0.04 49 R H H 130.96 2.89 13.34 17.33 92.73 52.73 -64.38 -41.47 2.08 0.02 97.90 0.83 0.31 0.85 97.45 0.55 0.00 0.01 0.00 50 R H H 137.23 1.83 14.54 16.28 92.28 50.12 -64.98 -40.19 1.10 0.01 98.90 0.38 0.14 0.50 98.59 0.39 0.00 0.00 0.00 51 Q H H 97.89 2.82 14.88 18.15 92.22 49.91 -65.19 -40.67 0.60 0.00 99.39 0.18 0.07 0.28 99.27 0.20 0.00 0.00 0.00 52 R H H 121.09 3.13 15.19 19.09 92.08 50.31 -64.65 -41.09 0.39 0.00 99.61 0.08 0.04 0.20 99.58 0.10 0.00 0.00 0.00 53 E H H 100.77 2.26 16.30 18.48 91.84 50.10 -64.20 -41.46 0.30 0.00 99.70 0.05 0.02 0.17 99.69 0.07 0.00 0.00 0.00 54 S H H 54.96 2.75 15.96 19.02 92.03 50.12 -64.26 -41.06 0.40 0.00 99.60 0.05 0.02 0.23 99.62 0.07 0.00 0.00 0.00 55 Y H H 114.24 3.42 15.73 19.73 92.07 50.11 -64.79 -41.41 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 56 E H H 93.87 2.60 16.24 19.06 91.71 50.42 -64.06 -41.67 0.25 0.00 99.75 0.03 0.02 0.15 99.76 0.05 0.00 0.00 0.00 57 T H H 73.25 2.06 16.68 18.32 91.95 49.78 -64.52 -41.55 0.34 0.00 99.66 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 58 C H H 63.13 3.41 15.17 19.31 92.04 50.18 -64.21 -41.12 0.41 0.00 99.59 0.05 0.02 0.27 99.61 0.06 0.00 0.00 0.00 59 R H H 129.79 3.00 15.86 19.08 91.87 50.66 -64.40 -40.62 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 60 R H H 134.06 1.80 16.44 17.74 91.83 50.68 -64.12 -41.42 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 61 I H H 89.74 2.42 16.13 18.49 91.82 49.20 -64.34 -42.37 0.12 0.00 99.88 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 62 Y H H 114.08 3.73 15.34 19.54 91.88 49.35 -64.21 -41.98 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 63 N H H 85.79 2.53 16.05 18.72 91.71 49.88 -64.26 -40.78 0.18 0.00 99.82 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 64 M H H 101.20 1.87 16.50 17.79 91.84 50.21 -64.28 -41.13 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 65 E H H 93.13 3.19 15.73 19.43 91.93 50.22 -64.51 -41.23 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 66 M H H 88.86 3.56 15.21 19.35 91.96 50.14 -64.84 -40.51 0.49 0.00 99.51 0.05 0.03 0.32 99.55 0.04 0.00 0.00 0.00 67 A H H 57.56 2.23 15.77 18.10 91.58 51.14 -63.35 -41.07 0.29 0.00 99.71 0.05 0.02 0.16 99.74 0.03 0.00 0.00 0.00 68 R H H 133.53 1.95 15.82 17.60 92.06 50.38 -64.80 -40.36 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 69 K H H 109.92 3.03 15.40 18.76 91.92 50.69 -64.59 -41.42 0.21 0.00 99.79 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 70 I H H 89.30 2.58 14.99 17.80 91.90 49.62 -64.41 -41.43 0.19 0.00 99.81 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 71 N H H 86.50 1.99 15.07 17.04 91.88 50.52 -64.24 -40.68 0.49 0.00 99.51 0.05 0.02 0.32 99.45 0.16 0.00 0.00 0.00 72 F H H 104.92 2.58 13.71 17.00 92.15 50.83 -64.57 -41.14 1.32 0.00 98.68 0.12 0.08 0.95 98.39 0.44 0.00 0.00 0.00 73 L H H 87.52 2.62 13.06 16.35 92.21 49.96 -65.06 -40.55 3.02 0.01 96.96 0.43 0.29 2.07 96.34 0.86 0.00 0.01 0.00 74 M H H 111.38 2.10 12.47 15.09 92.35 51.34 -66.12 -36.39 12.33 0.10 87.58 2.62 1.52 8.10 85.90 1.75 0.02 0.04 0.05 75 R H H 150.16 2.07 11.10 14.17 94.03 52.78 -72.86 -27.57 27.73 0.39 71.87 8.30 3.63 16.66 68.53 2.45 0.03 0.15 0.23 76 K H H 140.21 2.22 10.80 14.07 95.76 62.02 -73.09 -26.22 42.88 0.53 56.59 13.16 8.97 21.57 53.28 2.47 0.04 0.19 0.32 77 N C C 126.07 1.30 10.77 12.39 100.50 43.63 -94.91 13.17 68.72 0.62 30.67 28.83 12.85 26.54 28.67 2.49 0.01 0.21 0.41 78 R C C 136.02 4.09 7.91 14.17 115.65 122.92 -88.29 134.16 93.64 0.78 5.58 75.30 11.62 6.52 4.38 1.27 0.00 0.31 0.62 79 A C C 85.53 1.85 10.66 13.74 114.49 -118.48 -76.56 148.08 96.31 1.10 2.59 78.21 14.20 3.72 1.59 0.90 0.00 0.38 1.01 80 D C C 83.69 5.20 8.76 15.83 110.84 -106.93 -82.93 120.70 99.06 0.43 0.51 89.73 8.39 0.89 0.20 0.27 0.00 0.15 0.38 81 P C T 94.31 3.67 9.83 15.47 93.94 -150.26 -65.35 -19.82 88.61 0.35 11.04 12.18 9.98 65.79 1.72 9.91 0.00 0.18 0.24 82 W C T 165.56 3.56 8.78 13.87 99.38 58.56 -90.16 6.89 86.68 0.64 12.68 11.30 9.71 65.04 2.13 11.06 0.00 0.32 0.43 83 Q C T 129.88 2.52 8.48 12.93 108.31 109.92 -72.19 123.79 87.42 0.97 11.61 17.43 11.70 57.82 1.57 10.35 0.00 0.46 0.67 84 G C T 63.97 0.92 10.84 11.83 98.89 13.91 82.07 1.92 96.06 0.33 3.61 39.14 5.13 52.19 0.74 2.43 0.00 0.18 0.18 85 C C C 75.77 6.30 9.67 17.37 105.52 105.29 -89.75 49.17 99.82 0.14 0.04 99.25 0.49 0.12 0.01 0.01 0.00 0.05 0.06