# 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 107.51 6.37 12.73 20.30 116.84 -168.45 -94.78 137.48 99.89 0.06 0.05 99.82 0.07 0.05 0.03 0.00 0.00 0.02 0.01 1 A C C 61.75 6.24 9.83 17.65 111.94 -115.04 -75.95 143.81 88.18 2.09 9.73 85.15 0.93 2.50 8.75 0.80 0.00 1.03 0.84 2 K C C 133.75 3.20 10.85 15.57 105.67 -117.35 -76.44 122.04 75.27 2.90 21.82 62.09 6.50 4.94 21.85 2.01 0.00 1.61 1.00 3 K H H 139.36 2.89 11.57 15.77 97.25 -109.41 -70.53 -31.16 48.31 1.78 49.92 35.19 7.10 6.50 46.56 3.12 0.01 1.00 0.52 4 S H H 57.52 5.14 11.57 18.32 98.58 56.62 -73.35 -32.89 34.94 0.96 64.10 25.02 5.14 5.85 59.63 3.53 0.00 0.54 0.28 5 K H H 112.14 5.57 13.76 20.53 94.36 55.95 -67.65 -36.85 20.94 0.79 78.27 13.67 3.68 4.79 73.89 3.26 0.01 0.50 0.21 6 I H H 82.95 5.36 14.69 21.16 93.44 52.23 -66.68 -40.95 17.15 1.02 81.83 11.19 2.96 4.19 77.99 2.73 0.01 0.69 0.24 7 V H H 69.93 4.34 16.43 21.79 93.08 50.13 -65.73 -41.55 18.21 0.69 81.09 12.33 2.80 3.77 78.68 1.83 0.00 0.39 0.19 8 K H H 88.21 7.10 17.10 25.16 92.90 50.62 -65.96 -40.72 19.14 0.32 80.54 12.21 2.53 4.13 79.75 1.12 0.00 0.14 0.11 9 N H H 54.07 9.84 16.18 26.98 92.74 52.37 -65.49 -40.45 12.40 0.12 87.48 7.96 1.63 2.80 86.81 0.71 0.00 0.04 0.05 10 E H H 102.17 3.08 20.32 23.05 92.14 50.78 -64.46 -41.12 3.52 0.02 96.46 1.67 0.46 1.28 96.16 0.41 0.00 0.01 0.01 11 Q H H 85.20 5.52 20.12 26.06 91.95 50.23 -64.81 -41.11 2.18 0.01 97.81 0.92 0.26 0.93 97.51 0.35 0.00 0.00 0.01 12 R H H 56.37 16.00 17.22 32.94 91.81 50.56 -63.97 -41.77 1.27 0.01 98.72 0.52 0.15 0.56 98.55 0.21 0.00 0.00 0.00 13 R H H 105.37 8.80 20.24 29.36 91.41 50.99 -63.63 -41.22 0.66 0.00 99.34 0.24 0.07 0.30 99.27 0.11 0.00 0.00 0.00 14 E H H 100.36 2.62 23.46 24.74 91.64 49.99 -64.21 -41.98 0.51 0.00 99.48 0.16 0.06 0.26 99.44 0.08 0.00 0.00 0.00 15 L H H 31.98 12.07 19.54 32.69 91.87 49.55 -64.24 -42.60 0.51 0.00 99.48 0.13 0.05 0.29 99.44 0.09 0.00 0.00 0.00 16 V H H 19.04 17.97 16.89 35.13 91.80 49.96 -63.49 -41.96 0.45 0.00 99.55 0.09 0.04 0.26 99.48 0.12 0.00 0.00 0.00 17 Q H H 95.75 3.77 22.33 25.81 91.47 50.65 -64.09 -40.72 0.88 0.00 99.11 0.10 0.05 0.63 98.94 0.27 0.00 0.00 0.00 18 R H H 125.74 3.70 22.22 25.66 92.10 49.94 -65.91 -39.77 3.53 0.00 96.46 0.16 0.16 3.13 96.12 0.42 0.00 0.00 0.00 19 Y H H 34.24 17.45 16.13 33.54 93.73 46.74 -75.30 -28.83 6.75 0.00 93.24 0.60 0.38 5.45 93.04 0.51 0.00 0.00 0.01 20 A H H 37.52 10.99 17.97 29.83 92.00 65.47 -61.18 -41.63 1.14 0.00 98.85 0.33 0.09 0.52 98.88 0.19 0.00 0.00 0.00 21 E H H 121.99 1.68 23.43 23.26 91.71 50.15 -64.15 -41.11 0.76 0.00 99.24 0.17 0.06 0.43 99.17 0.17 0.00 0.00 0.00 22 R H H 77.70 11.66 19.93 31.75 91.81 49.42 -65.26 -40.94 0.49 0.00 99.51 0.12 0.04 0.27 99.45 0.12 0.00 0.00 0.00 23 R H H 52.58 17.57 17.40 34.31 91.59 51.86 -62.76 -41.70 0.25 0.00 99.75 0.06 0.02 0.12 99.76 0.03 0.00 0.00 0.00 24 A H H 50.74 3.51 23.04 26.20 91.13 50.80 -63.31 -41.10 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 25 E H H 83.66 4.93 22.96 27.98 91.55 50.10 -64.69 -41.03 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 26 L H H 9.07 21.55 16.11 37.85 91.52 50.85 -63.64 -42.22 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 27 K H H 87.37 11.09 20.98 31.96 91.29 52.10 -62.29 -40.92 0.20 0.00 99.80 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 28 R H H 141.08 1.74 24.12 24.04 91.79 50.26 -64.40 -41.41 0.46 0.00 99.54 0.02 0.02 0.38 99.33 0.24 0.00 0.00 0.00 29 T H H 25.37 12.76 17.96 31.82 91.96 49.23 -65.40 -40.25 1.19 0.00 98.81 0.06 0.06 1.01 98.24 0.63 0.00 0.00 0.00 30 I H H 26.16 19.14 14.73 33.60 91.77 53.01 -67.34 -31.87 10.24 0.01 89.75 0.27 0.37 9.65 88.90 0.80 0.01 0.00 0.00 31 R H H 153.55 3.24 19.65 23.36 94.01 54.64 -83.18 -9.20 45.75 0.04 54.20 1.46 2.95 39.46 54.80 1.27 0.02 0.01 0.04 32 D C C 59.68 8.10 11.78 21.90 109.16 105.39 -81.36 114.57 99.79 0.11 0.09 81.62 17.90 0.22 0.05 0.02 0.00 0.02 0.16 33 P C T 109.11 3.22 12.13 17.61 92.65 -158.96 -65.38 -18.62 99.49 0.03 0.47 1.98 6.37 91.17 0.05 0.40 0.00 0.02 0.02 34 A C T 94.51 0.94 14.70 14.73 93.13 61.93 -83.26 -6.31 99.51 0.06 0.43 2.19 5.98 91.34 0.04 0.39 0.00 0.03 0.02 35 S C S 26.34 14.09 6.64 20.52 119.77 103.12 -79.53 149.47 99.54 0.27 0.19 26.79 72.34 0.41 0.06 0.07 0.00 0.06 0.27 36 S C C 60.87 2.24 16.71 18.50 117.09 -101.52 -68.14 155.02 99.91 0.05 0.04 99.13 0.76 0.04 0.02 0.00 0.00 0.01 0.03 37 P H H 100.84 3.65 12.04 17.70 91.18 -107.45 -57.49 -37.72 1.36 0.00 98.64 0.19 0.15 0.80 98.40 0.45 0.00 0.00 0.00 38 E H H 142.55 0.97 16.45 16.09 91.39 52.68 -64.42 -40.17 0.68 0.00 99.32 0.06 0.04 0.47 98.94 0.49 0.00 0.00 0.00 39 R H H 108.57 6.22 15.84 23.29 92.18 47.75 -66.31 -39.61 0.28 0.00 99.72 0.04 0.02 0.16 99.36 0.43 0.00 0.00 0.00 40 R H H 60.73 15.81 13.10 28.72 91.50 52.33 -62.40 -41.99 0.18 0.00 99.82 0.03 0.01 0.09 99.78 0.09 0.00 0.00 0.00 41 A H H 59.73 2.91 21.69 23.90 91.51 50.42 -63.64 -41.22 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 42 A H H 57.54 2.83 22.87 24.74 91.64 49.90 -64.21 -41.21 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 43 A H H 6.32 19.51 15.70 35.87 91.42 50.51 -64.09 -42.34 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 44 V H H 49.13 13.78 19.85 33.37 91.66 51.79 -62.53 -42.24 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 45 S H H 60.49 1.98 24.06 23.92 91.52 50.33 -63.57 -42.48 0.17 0.00 99.83 0.01 0.00 0.11 99.75 0.12 0.00 0.00 0.00 46 A H H 31.35 9.36 19.79 30.40 91.74 49.64 -64.88 -41.17 0.35 0.00 99.65 0.02 0.01 0.27 99.25 0.45 0.00 0.00 0.00 47 L H H 9.47 23.52 13.64 36.91 91.35 51.26 -65.23 -38.99 1.01 0.00 98.99 0.04 0.03 0.89 97.26 1.78 0.00 0.00 0.00 48 Q H H 113.95 5.59 19.52 26.36 90.60 57.00 -66.68 -23.97 23.23 0.01 76.76 0.23 0.37 23.99 73.37 2.03 0.00 0.00 0.01 49 R C T 166.44 1.79 20.25 21.36 94.04 55.27 -86.89 -6.16 66.61 0.03 33.37 0.86 1.59 63.88 31.57 2.06 0.00 0.00 0.02 50 L C S 26.85 20.65 8.77 28.23 117.46 107.93 -72.22 143.80 99.78 0.12 0.10 18.01 81.59 0.22 0.07 0.01 0.00 0.03 0.08 51 P C C 64.08 5.56 18.02 24.60 113.69 -103.44 -63.94 148.19 98.93 0.70 0.37 97.99 0.65 0.39 0.11 0.13 0.00 0.19 0.53 52 R C T 151.85 7.48 14.26 23.24 92.42 -116.91 -62.32 -28.06 95.81 0.25 3.94 4.58 13.11 77.68 0.38 3.91 0.00 0.12 0.21 53 D C T 100.59 3.96 18.73 23.18 96.94 57.16 -90.35 14.16 96.27 0.28 3.45 8.42 8.99 78.49 0.45 3.33 0.00 0.15 0.18 54 S C C 24.41 17.29 11.90 29.13 115.17 127.95 -73.47 141.00 93.83 1.08 5.10 71.94 18.26 3.06 1.43 3.75 0.00 0.33 1.23 55 S C C 33.12 10.32 19.09 30.26 124.09 -142.42 -99.05 157.53 94.86 0.67 4.47 82.31 11.11 1.25 3.75 0.59 0.00 0.13 0.87 56 P H H 60.01 11.48 18.15 30.23 92.16 -115.60 -62.08 -30.00 38.53 0.16 61.32 3.41 4.44 29.23 46.68 15.96 0.07 0.07 0.14 57 V H H 49.06 13.13 18.70 31.97 92.00 62.82 -68.35 -28.68 33.87 0.31 65.82 2.95 3.44 25.69 50.37 17.11 0.11 0.16 0.18 58 R H H 74.24 15.31 18.50 33.27 92.63 63.88 -66.55 -32.21 21.21 0.74 78.05 5.88 3.74 10.80 55.94 22.88 0.08 0.41 0.27 59 L H H 49.66 15.90 18.89 34.43 93.68 55.73 -74.29 -24.67 25.46 1.53 73.01 7.63 4.53 12.79 51.00 22.34 0.23 0.82 0.67 60 R C H 99.66 11.78 21.91 32.98 99.40 60.16 -81.88 -5.95 49.54 2.05 48.41 9.63 9.02 30.49 33.10 15.24 0.26 1.11 1.16 61 N C T 48.97 14.68 19.80 34.05 99.18 55.69 -95.01 12.16 76.45 2.43 21.12 23.29 10.81 42.68 11.98 8.60 0.03 1.62 0.98 62 R E B 83.39 10.73 20.97 32.22 125.77 107.46 -103.61 147.36 33.68 65.60 0.72 23.01 3.48 0.18 0.55 0.09 0.00 5.92 66.78 63 D C C 13.69 18.97 13.61 33.45 110.35 -109.92 -70.93 132.11 95.02 4.90 0.08 95.31 0.53 0.08 0.04 0.02 0.00 1.45 2.57 64 V C T 81.50 7.33 19.09 27.61 92.79 -143.99 -68.65 -25.00 99.79 0.07 0.15 0.49 4.90 94.45 0.01 0.09 0.00 0.03 0.03 65 V C T 72.05 9.24 16.80 26.58 98.69 44.95 -79.74 -41.44 99.78 0.06 0.16 0.07 2.27 97.51 0.00 0.09 0.00 0.02 0.03 66 D C T 71.54 6.00 15.38 22.72 100.72 20.36 -105.89 -13.35 99.83 0.03 0.14 0.22 2.89 96.76 0.00 0.10 0.00 0.01 0.01 67 G C C 46.75 4.99 14.81 21.35 94.63 -120.24 80.10 7.25 99.62 0.29 0.09 66.82 25.65 7.10 0.02 0.08 0.00 0.11 0.22 68 R C C 108.71 6.17 15.52 23.45 119.29 132.00 -82.70 144.61 96.27 3.66 0.06 68.01 28.48 0.24 0.01 0.03 0.00 1.60 1.61 69 P E B 74.56 7.18 18.12 26.05 112.63 -101.77 -65.56 146.91 30.68 68.94 0.38 21.36 3.32 0.21 0.27 0.09 0.00 9.79 64.95 70 R C C 93.78 14.18 16.31 29.82 116.30 -136.82 -98.32 137.22 94.54 4.93 0.53 78.73 13.38 2.24 0.12 0.45 0.00 2.59 2.49 71 G C C 18.90 13.51 17.88 31.42 126.78 165.70 -122.65 -138.62 92.99 5.40 1.60 48.18 39.99 4.82 0.43 1.24 0.00 2.82 2.53 72 H C S 82.79 10.41 20.01 30.58 101.33 -70.02 -88.80 -0.17 80.26 17.70 2.04 22.37 52.81 5.69 0.81 1.17 0.02 12.38 4.76 73 L E B 28.00 18.12 13.14 31.16 102.21 78.46 -92.42 47.24 28.65 65.81 5.53 17.84 7.19 1.82 3.68 1.32 0.19 24.27 43.69 74 R H G 139.47 6.18 16.12 24.07 94.66 125.56 -64.83 -38.20 19.45 0.44 80.11 1.95 1.91 14.57 5.01 76.16 0.01 0.32 0.07 75 K H G 140.86 2.99 17.89 21.63 92.94 48.61 -69.03 -34.70 19.10 0.18 80.72 0.38 1.08 17.12 6.01 75.22 0.01 0.11 0.06 76 F H G 61.21 13.62 15.03 29.06 97.04 34.81 -99.02 -9.30 17.57 0.06 82.37 0.27 0.96 16.00 8.66 74.03 0.01 0.03 0.03 77 G C T 34.12 7.15 21.88 30.03 94.92 -116.02 76.95 13.63 98.52 0.80 0.68 8.41 14.21 76.00 0.17 0.46 0.00 0.44 0.31 78 L C C 16.27 19.80 16.57 36.56 128.77 113.64 -116.68 151.16 55.00 44.57 0.43 39.94 14.11 0.46 0.33 0.17 0.00 19.19 25.81 79 S C C 18.44 11.91 22.81 35.68 121.06 -117.62 -78.48 160.77 75.21 24.50 0.29 75.07 1.24 0.10 0.28 0.05 0.00 13.39 9.87 80 R H H 63.77 18.00 18.90 36.36 91.59 -110.50 -59.12 -37.95 2.86 0.01 97.13 0.43 0.56 1.42 97.45 0.14 0.00 0.00 0.00 81 V H H 65.75 7.38 24.28 31.88 91.96 53.59 -64.42 -41.76 0.98 0.00 99.02 0.10 0.08 0.67 99.02 0.13 0.00 0.00 0.00 82 R H H 77.08 10.82 23.92 34.77 92.05 47.93 -65.68 -41.12 0.37 0.00 99.63 0.05 0.02 0.23 99.58 0.12 0.00 0.00 0.00 83 V H H 2.71 25.68 17.21 43.33 91.41 50.36 -63.26 -43.44 0.16 0.00 99.84 0.03 0.01 0.08 99.85 0.04 0.00 0.00 0.00 84 R H H 83.56 13.09 22.17 34.63 91.66 51.06 -62.96 -42.12 0.19 0.00 99.81 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 85 E H H 88.17 3.90 23.80 27.25 91.66 49.74 -64.18 -42.43 0.21 0.00 99.79 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 86 M H H 26.82 12.02 18.55 32.13 91.95 48.85 -64.39 -41.69 0.31 0.00 99.69 0.04 0.02 0.17 99.69 0.08 0.00 0.00 0.00 87 A H H 13.41 18.16 13.92 32.24 91.94 51.03 -63.74 -42.20 0.56 0.00 99.44 0.06 0.03 0.38 99.21 0.33 0.00 0.00 0.00 88 H H H 121.15 4.94 17.57 23.67 91.22 50.73 -65.91 -30.31 3.21 0.00 96.79 0.07 0.09 3.18 96.26 0.41 0.00 0.00 0.00 89 R C T 150.64 2.24 17.24 19.33 92.52 51.80 -86.45 -2.46 68.47 0.01 31.52 0.14 0.77 68.61 29.87 0.59 0.00 0.00 0.02 90 G C T 45.28 7.32 14.07 22.71 94.52 -112.18 78.94 12.96 99.48 0.01 0.51 0.55 2.27 96.81 0.31 0.05 0.00 0.00 0.00 91 E C S 103.28 6.07 18.05 25.34 94.67 127.19 -77.64 -19.35 99.69 0.24 0.08 26.28 72.25 1.17 0.02 0.04 0.00 0.07 0.17 92 L C S 14.90 21.78 12.03 33.33 114.58 37.53 -126.47 98.66 99.27 0.58 0.15 33.92 64.44 0.84 0.03 0.10 0.00 0.16 0.52 93 P C T 70.82 6.93 21.70 29.27 111.14 -138.84 -66.18 136.81 99.22 0.30 0.48 6.22 11.32 81.55 0.05 0.49 0.00 0.16 0.21 94 G C T 35.46 8.44 20.83 29.88 95.33 21.45 84.67 -1.57 98.60 0.80 0.60 6.98 10.35 81.20 0.07 0.61 0.00 0.57 0.21 95 V C C 18.48 22.72 11.71 33.76 115.04 130.10 -81.08 130.59 92.55 6.64 0.81 82.17 8.96 0.96 0.30 0.48 0.00 2.68 4.44 96 R C C 128.87 4.75 21.45 27.16 128.03 -173.36 -125.05 150.60 89.22 8.80 1.98 83.64 4.09 1.29 0.70 1.23 0.00 4.60 4.46 97 K C C 100.88 12.11 14.26 26.42 110.37 -104.48 -70.93 141.41 67.95 6.22 25.83 45.47 12.14 9.44 2.40 24.92 0.00 4.30 1.33 98 A C C 63.18 8.20 12.30 21.51 101.67 -121.09 -77.29 -9.44 71.32 2.43 26.24 35.75 15.82 17.20 1.29 27.89 0.00 1.49 0.56 99 S C C 75.78 4.19 11.98 17.56 104.36 76.75 -88.34 9.76 75.54 2.05 22.40 57.93 3.72 12.69 1.70 22.12 0.00 1.26 0.58 100 W C C 129.39 9.91 11.40 21.84 103.89 75.95 -86.10 15.95 99.82 0.11 0.06 99.65 0.16 0.09 0.02 0.01 0.00 0.06 0.02