# 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 57.47 6.97 12.62 20.85 110.62 -115.89 -74.67 141.39 99.89 0.03 0.08 99.80 0.07 0.06 0.04 0.00 0.00 0.01 0.01 1 K C C 132.57 3.34 10.95 15.74 102.56 -120.19 -74.05 -21.42 63.11 1.04 35.85 57.71 1.10 4.31 34.58 1.41 0.00 0.38 0.52 2 K H H 145.21 1.89 10.75 13.58 96.27 60.03 -70.68 -33.04 33.94 0.72 65.34 22.08 5.44 7.27 61.82 2.76 0.01 0.34 0.28 3 S H H 64.53 3.21 11.04 15.63 96.21 55.49 -71.16 -33.72 26.11 0.58 73.32 16.99 3.95 6.09 69.15 3.31 0.01 0.30 0.20 4 K H H 112.28 4.44 12.66 18.30 94.80 56.35 -67.69 -37.69 17.45 0.52 82.03 11.67 2.84 4.08 77.99 2.96 0.00 0.30 0.15 5 I H H 87.81 3.95 13.98 18.99 93.32 52.24 -66.28 -40.80 13.57 0.53 85.90 9.03 2.23 3.30 83.12 1.87 0.00 0.30 0.14 6 V H H 75.40 2.98 15.94 19.45 92.49 50.41 -65.45 -41.41 11.57 0.31 88.12 7.82 1.65 2.67 86.51 1.10 0.00 0.16 0.08 7 K H H 94.33 5.46 16.50 22.96 92.36 50.50 -65.10 -40.86 7.49 0.10 92.42 4.43 1.05 2.18 91.59 0.68 0.00 0.04 0.03 8 N H H 55.67 8.50 15.77 25.46 92.33 51.67 -65.23 -40.50 4.96 0.04 95.00 2.80 0.69 1.58 94.42 0.48 0.00 0.01 0.01 9 E H H 99.93 2.87 19.65 22.21 91.80 51.09 -64.53 -40.97 1.78 0.01 98.21 0.70 0.20 0.76 98.07 0.27 0.00 0.00 0.00 10 Q H H 88.36 4.60 19.55 24.45 92.00 50.25 -64.61 -41.31 1.23 0.00 98.76 0.42 0.13 0.58 98.66 0.19 0.00 0.00 0.00 11 R H H 68.22 13.49 17.10 30.73 91.92 50.51 -64.12 -41.49 0.79 0.00 99.21 0.24 0.08 0.39 99.16 0.12 0.00 0.00 0.00 12 R H H 114.45 6.89 19.79 27.11 91.54 50.86 -63.73 -41.12 0.50 0.00 99.49 0.14 0.05 0.26 99.47 0.08 0.00 0.00 0.00 13 E H H 100.95 2.49 22.45 23.58 91.60 49.92 -64.23 -41.90 0.35 0.00 99.65 0.08 0.03 0.19 99.64 0.05 0.00 0.00 0.00 14 L H H 41.17 10.42 19.19 30.68 91.93 49.59 -64.29 -42.46 0.33 0.00 99.67 0.07 0.03 0.19 99.66 0.05 0.00 0.00 0.00 15 V H H 29.89 14.66 17.06 32.41 91.76 49.83 -64.01 -41.85 0.28 0.00 99.72 0.05 0.02 0.17 99.70 0.06 0.00 0.00 0.00 16 Q H H 95.83 3.18 21.94 24.55 91.42 50.55 -63.91 -41.27 0.40 0.00 99.60 0.05 0.02 0.27 99.56 0.10 0.00 0.00 0.00 17 R H H 121.81 3.62 22.05 25.23 91.97 49.01 -65.02 -41.28 1.47 0.00 98.53 0.09 0.06 1.23 98.46 0.17 0.00 0.00 0.00 18 Y H H 39.62 15.60 16.95 32.89 92.31 48.39 -65.77 -39.93 1.96 0.00 98.04 0.16 0.11 1.45 98.13 0.15 0.00 0.00 0.00 19 A H H 39.38 9.22 18.79 29.00 91.70 53.12 -62.64 -41.60 0.39 0.00 99.61 0.07 0.02 0.21 99.63 0.07 0.00 0.00 0.00 20 E H H 115.97 1.86 23.40 23.48 91.64 49.90 -64.36 -41.28 0.30 0.00 99.70 0.03 0.01 0.19 99.70 0.06 0.00 0.00 0.00 21 R H H 81.76 11.03 20.15 31.38 91.81 49.47 -64.86 -41.04 0.24 0.00 99.76 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 22 R H H 56.22 16.70 17.70 33.89 91.49 51.62 -62.99 -41.61 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 23 A H H 51.15 3.42 23.03 26.04 91.17 50.80 -63.51 -41.03 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 24 E H H 81.07 5.09 22.76 28.00 91.49 50.26 -64.47 -41.09 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 25 L H H 11.34 20.54 16.36 37.11 91.52 50.93 -63.49 -41.82 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 26 K H H 87.44 10.39 20.85 31.33 91.27 52.14 -62.48 -40.69 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 27 R H H 137.22 1.91 23.70 23.96 91.74 50.42 -64.59 -41.18 0.33 0.00 99.67 0.02 0.01 0.28 99.53 0.17 0.00 0.00 0.00 28 T H H 26.12 12.72 17.50 31.32 92.02 49.66 -65.50 -40.37 0.92 0.00 99.08 0.05 0.04 0.78 98.70 0.43 0.00 0.00 0.00 29 I H H 32.11 18.05 14.75 32.50 92.12 52.01 -67.19 -32.80 7.16 0.00 92.83 0.19 0.25 6.68 92.30 0.57 0.00 0.00 0.00 30 R H H 157.79 2.86 19.25 22.44 93.60 56.03 -77.79 -16.08 28.17 0.03 71.80 0.76 2.10 24.44 71.91 0.73 0.02 0.01 0.02 31 D C C 64.82 6.94 12.80 21.62 108.28 89.08 -93.36 106.04 99.77 0.11 0.12 79.81 19.64 0.28 0.07 0.03 0.00 0.02 0.15 32 P C T 100.85 4.92 11.49 18.83 92.86 -167.99 -66.60 -17.07 99.37 0.05 0.58 3.65 6.07 89.65 0.07 0.50 0.00 0.03 0.03 33 A C T 95.66 0.84 15.07 14.72 93.20 62.96 -83.01 -5.78 99.43 0.07 0.50 2.87 6.61 89.92 0.05 0.47 0.00 0.04 0.02 34 S C S 27.27 13.29 6.82 20.28 120.00 103.50 -77.09 150.88 99.60 0.24 0.15 26.59 72.66 0.37 0.05 0.05 0.00 0.05 0.23 35 S C C 60.54 2.25 16.35 18.29 117.22 -100.68 -67.65 154.83 99.92 0.05 0.03 99.24 0.66 0.03 0.02 0.00 0.00 0.01 0.03 36 P H H 100.73 3.65 11.88 17.56 91.18 -108.17 -57.57 -38.13 1.29 0.00 98.71 0.17 0.15 0.75 98.56 0.37 0.00 0.00 0.00 37 E H H 142.79 0.93 16.21 15.78 91.47 52.89 -64.19 -40.14 0.63 0.00 99.37 0.05 0.04 0.43 99.09 0.38 0.00 0.00 0.00 38 R H H 112.42 5.50 15.77 22.50 92.22 47.95 -66.29 -39.48 0.30 0.00 99.70 0.05 0.02 0.16 99.42 0.35 0.00 0.00 0.00 39 R H H 61.28 15.54 12.83 28.24 91.53 52.18 -62.71 -41.92 0.20 0.00 99.80 0.03 0.01 0.09 99.79 0.07 0.00 0.00 0.00 40 A H H 59.94 2.95 21.05 23.46 91.45 50.59 -63.54 -41.40 0.22 0.00 99.78 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 41 A H H 59.49 2.46 22.56 23.77 91.71 49.82 -64.33 -41.04 0.28 0.00 99.72 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 42 A H H 7.76 18.22 15.64 34.65 91.65 50.32 -64.24 -42.19 0.24 0.00 99.76 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 43 V H H 48.14 13.72 19.24 32.84 91.69 51.86 -62.50 -42.21 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 44 S H H 60.36 1.98 23.56 23.46 91.51 50.24 -63.56 -42.23 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.07 0.00 0.00 0.00 45 A H H 35.59 8.08 19.78 29.11 91.81 49.71 -64.87 -41.12 0.27 0.00 99.73 0.01 0.01 0.20 99.51 0.26 0.00 0.00 0.00 46 L H H 9.86 23.07 13.23 36.02 91.41 51.23 -65.18 -39.29 0.91 0.00 99.09 0.04 0.03 0.78 97.76 1.39 0.00 0.00 0.00 47 Q H H 112.66 5.89 18.80 25.99 90.55 56.76 -66.42 -24.92 20.84 0.00 79.16 0.20 0.32 21.80 75.87 1.81 0.00 0.00 0.00 48 R C T 170.56 1.48 19.73 20.19 94.08 54.66 -86.85 -7.22 63.35 0.02 36.62 0.80 1.55 60.69 35.01 1.91 0.00 0.01 0.02 49 L C S 32.74 18.75 8.79 26.66 117.03 107.51 -72.01 143.46 99.75 0.11 0.14 20.47 79.05 0.26 0.10 0.02 0.00 0.02 0.07 50 P C C 71.59 4.37 18.36 23.31 113.18 -103.64 -64.61 148.31 97.89 0.94 1.18 96.38 1.00 0.69 0.37 0.54 0.00 0.26 0.77 51 R C T 136.07 10.27 13.27 24.21 94.55 -116.83 -64.19 -29.02 74.20 0.62 25.18 10.46 13.18 48.38 1.67 25.55 0.00 0.30 0.45 52 D C T 97.51 4.61 17.42 22.83 99.31 59.61 -86.81 16.90 76.15 0.68 23.17 12.44 10.31 51.13 1.62 23.76 0.00 0.36 0.39 53 S C C 41.79 12.56 13.31 26.44 100.69 124.11 -82.41 22.87 77.44 1.21 21.34 47.30 17.31 9.76 2.14 22.09 0.00 0.53 0.87 54 S C C 31.70 11.53 14.92 27.63 123.08 96.16 -102.62 149.77 93.12 1.40 5.48 59.31 31.31 2.20 3.78 1.39 0.00 0.29 1.72 55 P C T 74.24 8.42 17.62 27.04 92.51 -121.26 -62.87 -24.10 65.53 0.33 34.14 6.72 10.78 47.50 19.89 14.56 0.03 0.14 0.38 56 V C T 54.45 13.01 16.97 30.14 93.61 63.26 -75.22 -17.83 63.57 0.80 35.63 7.43 8.69 46.29 21.57 14.86 0.08 0.40 0.67 57 R C H 81.33 14.65 17.12 31.34 94.91 76.10 -65.96 -26.33 53.86 2.64 43.51 20.57 13.39 20.81 23.31 18.87 0.09 1.10 1.86 58 L C C 63.30 13.21 18.67 31.64 96.05 60.23 -78.71 -17.12 53.82 4.76 41.43 24.82 10.49 18.86 20.49 20.09 0.10 2.31 2.84 59 R C T 100.24 11.61 21.03 32.13 101.24 72.32 -82.44 -8.76 66.99 4.39 28.63 19.57 14.62 33.61 12.83 14.71 0.10 2.32 2.24 60 N C T 49.10 15.62 19.45 34.30 99.23 51.06 -96.00 10.02 82.22 4.23 13.55 30.64 15.38 36.41 5.04 8.42 0.01 2.78 1.32 61 R E B 85.53 10.53 21.82 32.84 126.88 104.92 -111.30 145.91 30.44 69.03 0.53 21.56 2.43 0.12 0.40 0.07 0.00 7.51 67.90 62 D C C 11.20 20.20 13.99 34.99 110.86 -109.79 -70.58 131.47 94.02 5.91 0.07 94.59 0.52 0.06 0.03 0.01 0.00 1.74 3.03 63 V C T 73.88 8.50 19.93 29.55 92.70 -142.38 -68.21 -25.02 99.79 0.06 0.15 0.37 3.96 95.51 0.01 0.09 0.00 0.03 0.02 64 V C T 67.25 10.23 17.56 28.16 99.17 44.06 -82.93 -41.22 99.80 0.04 0.15 0.06 2.00 97.82 0.00 0.08 0.00 0.01 0.02 65 D C T 69.47 6.43 16.55 24.14 101.68 19.76 -107.49 -13.75 99.84 0.03 0.13 0.22 2.65 97.01 0.01 0.09 0.00 0.01 0.01 66 G C C 41.97 6.94 15.11 23.39 94.50 -119.60 80.59 7.34 99.59 0.33 0.08 73.37 20.41 5.73 0.02 0.07 0.00 0.12 0.27 67 R C C 107.27 6.32 17.01 24.86 118.84 133.40 -83.00 143.06 96.34 3.61 0.05 71.60 24.98 0.23 0.01 0.03 0.00 1.66 1.47 68 P E B 69.24 8.74 18.24 27.59 112.94 -102.29 -65.69 146.00 23.63 76.01 0.36 16.52 2.10 0.16 0.27 0.07 0.00 11.63 69.25 69 R C C 86.71 14.63 16.69 30.65 117.02 -137.85 -101.69 139.16 93.09 5.95 0.96 80.44 10.22 2.15 0.25 0.77 0.00 3.11 3.06 70 G C C 19.68 13.31 17.71 31.09 124.37 166.75 -109.16 -150.08 88.72 4.44 6.83 39.42 38.63 10.42 1.41 5.47 0.00 2.11 2.53 71 H C S 82.40 10.90 19.55 30.55 95.76 -72.64 -76.04 -16.33 84.66 7.35 7.99 17.45 49.38 18.63 2.20 5.29 0.04 4.06 2.94 72 L E B 30.32 17.91 13.48 31.29 98.51 65.30 -90.58 17.57 40.77 41.41 17.82 19.61 13.31 9.05 8.49 6.99 0.87 12.33 29.35 73 R H G 133.33 7.53 15.77 24.88 93.77 111.99 -62.44 -39.26 14.24 0.43 85.32 2.08 1.73 10.01 8.23 77.55 0.01 0.32 0.07 74 K H G 144.00 2.71 18.28 21.58 92.30 50.49 -68.34 -31.70 12.92 0.19 86.89 0.53 1.00 11.01 8.73 78.53 0.02 0.13 0.05 75 F H G 59.64 13.97 15.22 29.51 96.37 39.51 -96.84 -8.04 13.08 0.07 86.85 0.37 0.92 11.31 10.73 76.58 0.01 0.04 0.03 76 G C T 32.19 7.42 22.08 30.62 95.23 -115.11 77.32 14.26 98.57 0.65 0.78 9.13 13.72 75.78 0.18 0.56 0.00 0.34 0.30 77 L C C 14.28 20.36 16.55 37.17 128.15 119.25 -112.65 150.16 65.45 34.13 0.42 47.00 17.40 0.49 0.32 0.16 0.00 10.61 24.02 78 S C C 18.27 12.29 23.01 36.21 121.19 -117.62 -76.99 160.33 85.59 14.14 0.27 84.70 1.46 0.11 0.24 0.04 0.00 6.63 6.82 79 R H H 64.81 17.94 19.38 36.76 91.77 -110.43 -59.33 -37.40 4.57 0.01 95.42 0.58 1.19 2.26 95.78 0.17 0.00 0.00 0.01 80 V H H 65.35 7.59 24.37 32.20 91.98 53.65 -64.44 -42.04 1.84 0.01 98.16 0.18 0.24 1.26 98.17 0.15 0.00 0.00 0.00 81 R H H 73.43 11.28 23.90 35.14 92.09 48.01 -65.61 -41.00 0.50 0.00 99.49 0.08 0.03 0.31 99.44 0.13 0.00 0.00 0.00 82 V H H 2.90 25.60 17.60 43.57 91.53 50.35 -63.37 -43.65 0.16 0.00 99.83 0.02 0.01 0.08 99.84 0.04 0.00 0.00 0.00 83 R H H 79.65 13.21 22.27 34.91 91.70 50.84 -63.07 -42.30 0.21 0.00 99.79 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 84 E H H 86.90 4.20 23.90 27.80 91.76 49.80 -64.39 -42.40 0.27 0.00 99.73 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 85 M H H 25.79 12.29 18.56 32.38 91.86 48.96 -64.16 -41.92 0.43 0.00 99.57 0.05 0.04 0.26 99.54 0.12 0.00 0.00 0.00 86 A H H 13.89 17.99 14.19 32.34 91.93 50.96 -63.68 -42.45 0.80 0.00 99.20 0.08 0.04 0.56 98.76 0.55 0.00 0.00 0.00 87 H H H 118.63 5.21 17.64 23.97 91.31 50.83 -66.11 -30.17 3.54 0.01 96.45 0.09 0.11 3.53 95.65 0.61 0.01 0.00 0.00 88 R C T 150.03 2.31 17.21 19.41 92.54 51.32 -86.71 -2.22 67.88 0.02 32.11 0.17 0.89 67.69 30.44 0.77 0.00 0.00 0.02 89 G C T 45.05 7.23 14.05 22.62 94.55 -112.14 79.12 12.61 99.42 0.01 0.57 0.63 2.51 96.45 0.34 0.06 0.00 0.00 0.01 90 E C S 102.48 6.04 17.60 24.87 94.77 127.70 -76.81 -21.18 99.56 0.32 0.11 27.37 70.30 1.90 0.04 0.06 0.00 0.11 0.23 91 L C S 16.85 21.34 11.52 32.22 112.70 37.97 -124.35 98.03 99.21 0.62 0.17 37.30 60.90 0.96 0.04 0.12 0.00 0.19 0.50 92 P C T 75.97 6.12 20.85 27.66 110.88 -142.30 -65.87 136.90 99.21 0.35 0.44 8.68 12.82 77.60 0.05 0.46 0.00 0.20 0.19 93 G C T 38.73 7.24 19.89 27.93 96.46 21.23 85.62 -2.68 97.56 1.82 0.61 8.95 11.51 77.06 0.07 0.65 0.00 1.40 0.36 94 V C C 24.04 21.70 11.00 31.88 114.92 124.17 -82.71 130.13 87.14 12.34 0.53 79.86 6.50 0.72 0.21 0.31 0.00 6.86 5.55 95 R C C 134.61 4.15 20.62 25.82 128.06 -174.33 -126.52 148.22 80.61 18.48 0.92 76.23 3.24 0.90 0.36 0.53 0.00 13.07 5.67 96 K C C 108.43 10.75 14.06 25.32 112.67 -105.91 -71.99 141.08 74.42 14.56 11.02 54.57 11.93 7.26 1.94 9.95 0.00 11.66 2.69 97 A C C 57.83 9.28 10.85 21.00 108.46 -127.03 -80.99 91.38 83.78 3.66 12.55 46.06 19.45 16.77 1.03 13.47 0.00 2.49 0.74 98 S C C 83.89 2.82 11.69 15.81 104.27 75.46 -90.41 10.70 88.28 2.38 9.35 70.73 3.73 13.57 1.13 8.58 0.00 1.57 0.69 99 W C C 147.98 7.36 11.37 19.82 103.42 74.14 -85.36 11.62 99.85 0.10 0.05 99.70 0.13 0.08 0.01 0.01 0.00 0.05 0.01