# 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 105.46 7.70 12.54 21.37 114.55 -153.49 -90.22 131.23 99.92 0.06 0.02 99.81 0.09 0.06 0.01 0.00 0.00 0.02 0.01 1 S C C 75.95 4.91 10.69 17.34 110.65 -137.52 -86.22 122.34 97.46 1.30 1.24 91.62 1.94 4.14 0.41 0.54 0.00 0.58 0.78 2 H C C 126.80 4.40 10.95 17.21 116.93 -142.72 -96.14 135.95 97.39 1.60 1.01 62.41 30.34 4.71 0.28 0.70 0.00 0.72 0.84 3 P C C 88.17 6.65 11.76 19.93 112.33 -110.98 -73.72 138.73 97.35 1.42 1.23 72.22 20.43 4.69 0.35 0.85 0.00 0.73 0.72 4 V C C 78.80 8.31 12.60 22.31 118.59 -143.06 -101.36 133.54 96.46 2.43 1.11 72.70 21.76 2.04 0.50 0.56 0.00 1.10 1.34 5 P C C 84.34 6.33 16.37 23.88 111.68 -110.94 -70.44 144.14 95.44 1.87 2.68 72.62 17.12 5.80 1.28 1.25 0.00 0.94 0.99 6 F C C 57.81 18.65 10.40 27.75 116.48 -113.90 -86.76 138.29 93.70 2.15 4.14 68.52 21.07 3.74 2.99 1.15 0.00 0.76 1.78 7 S C C 50.32 4.93 17.78 23.42 121.63 -126.51 -81.20 164.38 93.84 1.45 4.71 84.18 7.68 1.67 4.20 0.72 0.00 0.49 1.07 8 A H H 76.13 3.89 15.08 20.39 91.29 -103.73 -58.65 -37.27 6.51 0.03 93.45 2.18 1.56 2.91 92.19 1.11 0.00 0.01 0.02 9 A H H 60.65 3.57 18.42 22.29 91.64 52.65 -64.32 -40.17 4.24 0.02 95.74 0.92 0.56 2.57 94.60 1.32 0.01 0.01 0.01 10 N H H 21.08 17.88 15.07 33.08 91.91 49.23 -66.18 -39.98 2.60 0.02 97.37 0.96 0.33 1.30 96.20 1.19 0.00 0.01 0.01 11 K H H 70.03 15.56 18.19 32.97 91.05 52.87 -61.97 -41.75 0.72 0.00 99.28 0.24 0.07 0.31 99.16 0.21 0.00 0.00 0.00 12 K H H 123.68 2.72 24.34 26.55 91.52 50.03 -64.03 -40.81 0.42 0.00 99.58 0.10 0.03 0.22 99.55 0.10 0.00 0.00 0.00 13 L H H 51.71 10.91 22.62 33.77 91.64 48.90 -64.66 -42.39 0.33 0.00 99.66 0.06 0.02 0.20 99.66 0.07 0.00 0.00 0.00 14 V H H 2.64 25.64 18.83 44.79 91.39 49.20 -63.59 -43.56 0.33 0.00 99.67 0.06 0.02 0.18 99.69 0.04 0.00 0.00 0.00 15 T H H 37.78 14.53 23.48 37.50 91.18 50.56 -62.61 -42.08 0.26 0.00 99.74 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 16 S H H 49.26 4.38 26.65 31.20 91.35 50.34 -64.01 -41.67 0.28 0.00 99.72 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 17 M H H 13.68 19.43 22.51 41.71 91.42 49.98 -64.19 -43.30 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.03 0.00 0.00 0.00 18 Y H H 9.27 24.43 22.22 46.02 91.15 50.29 -62.76 -43.16 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 19 R H H 96.56 10.17 26.39 36.66 91.40 50.63 -63.13 -42.19 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 20 Q H H 62.17 8.50 26.86 36.26 91.55 49.52 -64.47 -41.39 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.05 0.00 0.00 0.00 21 S H H 2.79 24.23 21.53 45.65 91.35 50.34 -63.82 -43.06 0.29 0.00 99.71 0.02 0.01 0.21 99.66 0.11 0.00 0.00 0.00 22 L H H 13.17 21.24 22.84 43.35 91.11 50.35 -63.50 -41.28 0.48 0.00 99.52 0.03 0.02 0.36 99.11 0.48 0.00 0.00 0.00 23 K H H 100.14 5.32 27.55 33.30 91.48 51.02 -63.64 -41.86 1.33 0.00 98.66 0.05 0.04 1.18 97.41 1.31 0.00 0.00 0.00 24 L H H 29.17 13.98 23.32 37.62 91.70 49.61 -65.48 -40.17 3.25 0.00 96.74 0.13 0.13 2.86 93.19 3.69 0.00 0.00 0.00 25 A H H 2.89 24.82 16.80 42.07 91.20 54.31 -64.07 -37.88 5.32 0.02 94.66 0.43 0.33 3.99 78.69 16.53 0.01 0.01 0.01 26 R H H 103.41 11.92 21.02 32.72 90.75 57.96 -66.36 -25.41 26.16 0.05 73.79 0.73 0.92 23.92 52.78 21.55 0.03 0.02 0.04 27 N C T 96.18 4.56 22.09 27.21 93.38 55.21 -86.65 -5.64 50.17 0.10 49.73 2.23 2.50 45.03 31.22 18.86 0.02 0.05 0.10 28 W C C 41.31 19.80 11.07 30.37 112.32 99.32 -79.45 125.79 81.06 3.50 15.45 56.41 14.60 9.25 9.59 5.92 0.01 1.25 2.97 29 I C C 98.26 6.85 17.44 25.21 101.37 -161.36 -86.88 -24.73 81.76 4.86 13.38 45.77 20.24 15.79 6.29 6.44 0.02 1.79 3.66 30 S C S 64.70 6.09 16.05 22.95 99.97 49.71 -83.90 -26.86 88.36 1.18 10.46 8.63 41.75 39.21 3.11 5.96 0.01 0.53 0.80 31 N C C 63.48 10.23 14.91 25.94 105.54 24.76 -119.51 60.41 91.48 0.86 7.67 53.22 11.41 27.15 2.95 4.29 0.00 0.38 0.61 32 R H H 95.26 13.82 12.59 26.46 93.86 153.50 -62.63 -37.05 10.50 0.09 89.41 4.04 1.93 5.04 82.08 6.80 0.01 0.05 0.04 33 Q H H 126.49 1.94 19.19 20.75 91.93 55.55 -65.00 -37.12 5.22 0.02 94.76 0.52 0.43 3.95 86.37 8.71 0.01 0.01 0.01 34 L H H 66.44 7.11 18.50 26.63 92.81 48.81 -68.46 -37.72 4.10 0.02 95.88 0.43 0.31 3.06 87.39 8.79 0.00 0.02 0.01 35 F H H 13.70 21.61 13.41 34.79 94.16 49.66 -74.10 -30.35 5.18 0.03 94.79 1.06 0.49 3.38 91.21 3.83 0.00 0.02 0.01 36 R H H 97.62 11.89 19.26 30.98 92.05 60.47 -61.47 -42.94 0.96 0.00 99.04 0.24 0.07 0.47 99.04 0.18 0.00 0.00 0.00 37 Q H H 108.70 2.06 24.70 25.18 91.71 49.15 -64.62 -41.39 0.37 0.00 99.63 0.04 0.02 0.22 99.60 0.12 0.00 0.00 0.00 38 K H H 51.80 13.87 21.56 35.18 91.91 48.98 -65.50 -41.18 0.22 0.00 99.78 0.02 0.01 0.13 99.73 0.10 0.00 0.00 0.00 39 A H H 3.84 23.22 17.04 40.58 91.28 51.49 -63.08 -42.67 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 40 V H H 64.82 5.58 24.40 30.22 91.28 50.63 -63.84 -41.59 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 41 E H H 86.22 4.63 24.87 29.51 91.49 50.61 -63.81 -42.27 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 I H H 4.47 23.70 18.47 42.43 91.48 49.29 -63.74 -43.32 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 43 R H H 70.02 16.12 21.12 36.14 91.37 51.66 -61.90 -42.09 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 44 H H H 108.49 2.10 24.89 25.14 91.45 50.27 -63.88 -41.81 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 45 K H H 62.31 10.90 21.10 32.39 91.94 49.24 -64.90 -41.29 0.16 0.00 99.84 0.01 0.00 0.11 99.80 0.08 0.00 0.00 0.00 46 F H H 6.30 24.60 14.08 38.81 91.50 50.04 -64.52 -41.85 0.37 0.00 99.63 0.02 0.01 0.27 99.44 0.26 0.00 0.00 0.00 47 D H H 81.21 6.26 20.50 27.57 91.37 52.41 -63.49 -38.34 1.87 0.00 98.13 0.08 0.07 1.59 97.18 1.07 0.00 0.00 0.00 48 Q H H 122.49 2.05 21.19 22.51 91.27 53.75 -68.34 -26.89 14.44 0.01 85.56 0.24 0.40 14.51 82.92 1.92 0.01 0.00 0.00 49 N C T 27.48 16.75 13.19 30.45 99.01 46.41 -103.14 8.93 54.41 0.06 45.53 4.07 2.14 47.58 42.58 3.53 0.01 0.02 0.06 50 A C T 48.64 14.01 14.22 28.36 93.09 114.67 -61.58 -28.45 95.47 0.21 4.32 4.86 4.16 86.88 2.26 1.58 0.00 0.10 0.15 51 Q C T 137.72 1.53 20.53 21.08 95.02 50.53 -92.33 8.42 98.12 0.10 1.78 6.58 5.29 86.39 0.52 1.10 0.00 0.05 0.06 52 I C C 30.48 18.14 8.99 26.84 111.47 122.47 -78.13 123.05 99.36 0.29 0.35 96.61 2.11 0.68 0.16 0.10 0.00 0.08 0.25 53 S C C 87.06 2.24 18.02 20.96 101.14 173.33 -106.63 -7.39 99.76 0.14 0.10 90.19 8.97 0.59 0.05 0.03 0.00 0.04 0.13 54 N C S 78.16 4.87 16.90 23.18 110.46 93.44 -87.30 118.96 99.50 0.24 0.27 44.74 54.52 0.17 0.26 0.02 0.00 0.04 0.24 55 P H H 60.38 12.50 12.37 25.85 92.30 -152.41 -60.09 -34.98 1.86 0.00 98.14 0.13 0.17 1.42 97.45 0.82 0.00 0.00 0.00 56 R H H 155.12 2.06 19.39 21.11 91.60 54.97 -63.80 -40.09 0.75 0.00 99.25 0.04 0.04 0.59 98.42 0.90 0.00 0.00 0.00 57 L H H 59.20 6.61 18.74 26.56 91.74 48.66 -65.64 -40.83 0.17 0.00 99.83 0.02 0.01 0.11 99.28 0.58 0.00 0.00 0.00 58 L H H 12.42 20.80 14.80 35.73 91.42 51.94 -63.06 -42.86 0.07 0.00 99.93 0.01 0.00 0.04 99.87 0.08 0.00 0.00 0.00 59 A H H 37.08 9.69 20.95 31.21 91.28 51.55 -63.01 -41.47 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 60 R H H 130.43 2.25 25.47 26.33 91.67 50.11 -64.46 -41.68 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 61 T H H 14.00 16.27 20.14 37.02 91.64 50.03 -63.74 -43.01 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 62 L H H 13.00 21.96 18.78 40.49 91.41 50.10 -63.18 -42.57 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 63 D H H 80.67 4.21 24.65 28.64 91.51 50.35 -63.78 -41.45 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 64 E H H 94.48 3.96 24.71 28.29 91.53 49.25 -64.77 -41.37 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 65 T H H 5.32 21.47 16.92 38.95 91.47 49.86 -63.92 -43.11 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 66 R H H 78.96 14.13 20.89 34.37 91.44 51.16 -62.39 -41.80 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 67 A H H 55.53 2.23 23.63 24.22 91.26 50.32 -63.18 -42.30 0.11 0.00 99.89 0.00 0.00 0.08 99.88 0.03 0.00 0.00 0.00 68 H H H 66.93 8.86 20.39 30.04 91.95 48.86 -65.26 -41.03 0.24 0.00 99.76 0.01 0.01 0.18 99.71 0.08 0.00 0.00 0.00 69 L H H 8.50 22.66 13.32 35.98 91.74 50.81 -63.97 -42.07 0.32 0.00 99.68 0.02 0.01 0.24 99.24 0.49 0.00 0.00 0.00 70 Y H H 130.38 6.01 18.55 25.55 91.75 50.97 -64.39 -38.11 1.39 0.00 98.61 0.05 0.04 1.22 97.26 1.42 0.00 0.00 0.00 71 E H H 133.02 1.73 19.74 20.58 92.16 51.55 -68.41 -30.72 8.24 0.00 91.76 0.15 0.25 8.26 90.00 1.34 0.00 0.00 0.00 72 F H H 68.18 13.43 14.56 28.21 98.32 43.03 -93.18 -3.97 34.01 0.13 65.86 2.35 3.26 27.89 64.71 1.62 0.04 0.04 0.09 73 R C C 117.77 11.09 17.20 28.54 105.90 144.36 -65.34 96.36 85.42 4.01 10.57 50.52 20.89 13.20 8.87 1.80 0.01 1.13 3.56 74 H C C 60.48 15.27 13.45 28.63 117.83 -141.42 -101.33 130.82 96.93 2.56 0.50 79.40 15.70 1.60 0.23 0.24 0.00 0.99 1.82 75 P C S 70.43 8.46 17.43 26.82 100.74 -120.08 -69.01 1.73 98.87 0.91 0.22 45.75 49.26 3.97 0.05 0.17 0.00 0.41 0.38 76 D C C 61.61 11.70 15.10 27.28 112.76 21.22 -92.01 120.03 97.67 2.12 0.20 61.69 34.26 1.66 0.06 0.14 0.00 0.67 1.52 77 P C S 62.82 10.75 15.85 27.57 99.80 -142.83 -70.52 -6.46 98.68 0.94 0.37 36.64 46.03 15.96 0.05 0.43 0.00 0.47 0.43 78 I C S 72.40 12.33 14.72 27.33 116.80 74.02 -100.11 131.08 90.45 8.82 0.74 36.97 42.07 11.59 0.17 0.63 0.00 3.67 4.88 79 V C C 76.53 7.70 17.21 26.12 117.71 -156.60 -111.35 123.37 93.51 6.33 0.16 58.79 34.64 0.73 0.05 0.11 0.00 2.33 3.36 80 P C C 61.20 10.61 14.78 26.33 115.45 -118.35 -68.89 147.02 98.71 0.92 0.37 89.99 6.83 1.77 0.06 0.38 0.00 0.46 0.50 81 P C T 56.79 12.25 12.71 25.37 106.92 -106.77 -67.14 137.18 97.23 0.56 2.21 38.51 16.45 41.39 0.16 2.92 0.00 0.30 0.27 82 S C T 79.02 4.40 15.25 20.84 103.83 111.40 -97.87 5.72 93.51 3.04 3.45 32.87 23.47 36.39 0.32 3.96 0.00 1.44 1.56 83 F C S 102.51 6.15 12.62 20.44 126.71 87.52 -112.98 151.67 95.35 3.70 0.96 25.52 66.37 2.78 0.23 0.61 0.00 1.29 3.21 84 P C T 102.29 3.48 13.10 18.15 110.31 -77.99 -60.16 136.94 97.68 0.39 1.94 2.64 6.65 88.27 0.21 1.77 0.00 0.20 0.27 85 G C T 61.76 1.41 14.80 15.75 96.77 18.14 85.68 -2.43 97.87 0.24 1.88 3.19 6.45 88.16 0.23 1.70 0.00 0.14 0.12 86 G C C 21.76 11.60 9.28 21.59 125.00 123.00 -86.06 169.89 92.72 4.65 2.63 57.77 29.31 4.64 0.81 1.74 0.00 1.44 4.28 87 T C C 56.20 5.89 16.40 23.60 128.39 -123.63 -113.37 163.82 90.01 6.02 3.96 71.77 12.71 4.21 1.84 2.09 0.00 2.14 5.23 88 K C T 113.53 8.88 14.63 24.45 92.74 -111.27 -63.60 -28.09 61.04 2.50 36.46 15.90 18.53 27.75 15.49 19.36 0.18 1.17 1.61 89 Y C T 122.19 7.00 16.03 24.17 92.16 64.10 -71.46 -21.09 56.39 2.99 40.62 15.00 13.18 28.85 17.25 22.26 0.30 1.55 1.60 90 E C C 76.82 10.36 14.97 26.18 93.60 60.24 -76.78 -19.41 53.26 5.34 41.40 27.76 10.66 15.77 17.52 22.96 0.12 2.95 2.26 91 R C C 90.17 12.84 14.23 27.12 98.30 65.99 -83.06 -9.93 63.41 6.95 29.64 34.07 13.76 16.23 15.32 13.52 0.17 3.46 3.47 92 N C C 81.87 8.51 15.40 24.83 106.52 69.44 -95.68 64.46 80.64 5.88 13.48 50.64 16.86 13.03 6.74 6.24 0.03 2.55 3.93 93 V C C 73.73 7.83 13.31 22.73 117.57 142.89 -95.53 131.63 97.51 1.91 0.59 69.97 27.04 0.64 0.40 0.17 0.00 0.69 1.10 94 P C C 76.54 6.33 13.10 21.04 114.95 -107.40 -67.60 148.56 98.34 0.32 1.35 93.74 3.66 1.17 0.78 0.33 0.00 0.13 0.18 95 P C C 73.14 7.55 10.73 19.80 111.72 -104.73 -68.85 148.07 87.77 0.61 11.61 77.97 4.73 5.85 6.35 4.42 0.00 0.28 0.41 96 R C C 156.33 3.05 11.74 16.23 107.91 -107.86 -75.51 120.99 78.49 2.05 19.46 60.14 9.61 8.76 11.41 7.78 0.00 0.94 1.35 97 M C C 116.09 5.23 8.97 15.81 101.50 -152.33 -82.66 -8.66 64.74 2.00 33.26 40.69 13.74 10.95 20.86 11.69 0.01 0.90 1.17 98 E C C 140.77 2.29 10.86 14.14 100.21 78.38 -77.29 -14.82 59.34 1.35 39.31 32.77 15.65 11.74 26.13 12.37 0.02 0.63 0.69 99 K C C 140.12 2.45 11.39 14.97 104.89 55.70 -86.19 53.39 58.89 1.83 39.28 40.58 9.49 8.98 27.80 11.41 0.01 0.98 0.75 100 I C C 96.90 5.98 9.52 17.11 108.74 63.84 -83.83 106.14 59.30 3.01 37.69 46.00 6.81 6.59 29.40 8.38 0.01 1.70 1.12 101 M C C 102.52 5.71 9.96 17.30 112.04 -139.34 -91.11 129.50 64.92 3.08 32.00 50.97 7.30 6.54 25.83 6.46 0.00 1.72 1.17 102 Q C C 117.02 3.35 11.43 16.23 109.46 -136.54 -87.88 117.36 66.91 3.03 30.05 49.59 8.18 8.68 23.26 7.35 0.01 1.72 1.21 103 H C C 112.58 5.79 9.02 16.31 108.12 -162.80 -88.30 82.09 63.46 2.69 33.85 39.87 11.00 12.31 20.31 13.85 0.01 1.44 1.21 104 N C C 105.00 3.36 10.29 15.18 104.66 61.18 -83.00 40.60 57.92 2.77 39.31 35.01 9.64 13.67 13.58 25.44 0.01 1.57 1.07 105 L C C 114.42 3.22 9.56 14.39 99.67 64.37 -78.23 -14.08 59.27 3.56 37.16 27.70 11.93 21.07 9.41 26.47 0.03 2.02 1.37 106 Y C C 149.91 4.09 8.49 14.14 103.68 59.84 -94.10 15.41 66.50 4.32 29.18 35.63 11.98 20.10 6.51 21.49 0.02 2.20 2.06 107 E C C 124.10 3.53 8.54 14.06 115.41 106.03 -94.32 130.56 99.21 0.69 0.11 94.82 4.27 0.27 0.04 0.04 0.00 0.32 0.24 108 P C C 98.84 3.27 11.52 16.52 108.85 -102.54 -67.24 143.79 99.94 0.05 0.01 99.80 0.12 0.04 0.00 0.00 0.00 0.02 0.01