# 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 102.62 7.71 12.62 21.54 115.11 -147.65 -89.17 133.48 99.94 0.05 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.02 0.01 1 R C C 160.10 3.67 11.42 16.96 112.29 -138.64 -87.63 135.29 92.70 4.14 3.16 88.46 1.13 3.82 1.49 0.97 0.00 2.47 1.66 2 G C C 48.94 4.36 10.98 16.96 114.46 -119.04 -102.26 163.86 88.14 5.90 5.96 61.12 16.99 10.12 2.64 3.29 0.00 3.47 2.36 3 K C C 137.59 4.00 11.79 17.44 111.43 -102.11 -89.09 128.23 82.68 6.51 10.81 57.57 15.14 9.91 4.75 6.15 0.00 4.06 2.41 4 S C C 67.43 6.98 11.00 19.23 111.63 -145.58 -89.95 132.46 83.34 3.91 12.75 54.56 16.17 12.75 5.87 6.83 0.00 2.30 1.51 5 N C C 96.43 6.35 12.24 19.97 108.54 -138.09 -89.01 97.69 83.78 2.90 13.32 55.27 15.84 12.53 7.12 6.30 0.00 1.56 1.37 6 K C C 129.34 5.64 13.25 20.40 105.69 -142.89 -82.84 57.68 80.53 1.94 17.53 48.15 15.90 16.48 12.28 5.24 0.00 0.92 1.03 7 G C C 41.96 7.49 14.76 22.90 107.28 37.07 8.21 -34.64 79.48 1.09 19.43 45.55 16.67 17.03 14.97 4.67 0.00 0.48 0.63 8 D C C 83.59 7.55 15.47 23.84 104.42 70.87 -83.78 17.23 69.30 1.03 29.67 45.46 13.29 9.59 26.80 3.90 0.00 0.43 0.54 9 N C H 76.05 8.77 18.67 27.78 105.15 57.36 -85.30 55.99 53.63 1.08 45.29 36.01 9.59 7.83 42.90 2.73 0.01 0.43 0.50 10 V H H 18.70 22.00 16.57 37.44 94.72 80.75 -66.40 -38.33 21.76 0.44 77.80 11.37 4.69 6.74 74.90 1.90 0.02 0.19 0.19 11 T H H 42.02 15.84 20.04 34.87 92.63 53.24 -64.64 -40.52 14.91 0.24 84.85 7.27 2.72 5.38 82.97 1.44 0.01 0.11 0.10 12 S H H 55.22 4.21 24.39 28.20 92.39 50.99 -65.38 -40.61 9.31 0.14 90.55 4.35 1.72 3.71 88.92 1.16 0.01 0.06 0.06 13 S H H 21.71 15.51 21.49 36.66 92.24 50.59 -65.44 -41.96 3.84 0.05 96.11 1.53 0.60 1.78 95.48 0.55 0.01 0.02 0.02 14 L H H 3.01 26.28 18.32 44.86 91.55 50.41 -63.97 -42.49 1.38 0.02 98.60 0.48 0.17 0.67 98.40 0.25 0.01 0.01 0.00 15 L H H 65.51 9.77 23.40 33.32 91.22 51.95 -62.64 -41.79 0.87 0.02 99.11 0.30 0.09 0.42 98.97 0.20 0.00 0.01 0.00 16 L H H 68.64 5.14 24.33 29.71 91.59 50.07 -64.14 -42.00 0.83 0.03 99.15 0.22 0.08 0.46 98.99 0.22 0.00 0.01 0.00 17 A H H 5.46 21.01 16.71 38.14 91.84 50.40 -64.34 -42.18 1.13 0.05 98.82 0.30 0.12 0.66 98.53 0.36 0.01 0.02 0.01 18 M H H 51.76 17.90 16.64 33.54 92.09 51.06 -64.46 -39.07 2.44 0.07 97.49 0.49 0.21 1.65 96.61 0.97 0.01 0.04 0.01 19 R H H 168.24 2.01 20.69 22.54 91.61 51.77 -67.37 -31.78 7.49 0.06 92.45 0.59 0.49 6.30 91.70 0.84 0.03 0.03 0.02 20 T H H 72.69 6.11 17.74 24.70 96.35 40.70 -91.61 -11.53 34.01 0.10 65.89 1.19 2.59 29.59 65.54 0.95 0.04 0.03 0.07 21 G C T 28.62 12.25 17.09 29.26 111.00 -95.38 83.36 10.01 99.02 0.58 0.41 8.93 29.63 60.58 0.10 0.22 0.00 0.44 0.09 22 K C C 92.75 10.74 21.97 32.44 110.58 104.51 -96.39 54.99 68.54 31.00 0.46 51.67 13.69 1.41 0.08 0.38 0.00 32.25 0.52 23 Y E E 31.17 21.85 18.12 39.21 126.68 80.08 -119.49 138.49 12.29 87.43 0.28 10.56 1.73 0.27 0.12 0.17 0.00 86.09 1.06 24 I E E 25.52 16.83 23.83 40.60 120.99 -161.19 -116.34 130.95 7.72 92.21 0.07 7.89 0.23 0.03 0.04 0.02 0.00 90.75 1.03 25 V E E 33.82 18.27 22.95 40.16 123.42 -164.97 -118.01 132.33 23.49 76.47 0.05 21.27 1.62 0.08 0.02 0.02 0.00 76.21 0.76 26 G C S 14.17 11.36 25.54 37.96 123.01 20.33 94.03 157.02 93.73 3.41 2.86 21.98 69.95 1.92 3.32 0.27 0.00 1.69 0.87 27 F H H 37.36 21.79 16.94 37.79 92.11 -90.81 -60.98 -39.42 1.90 0.01 98.09 0.17 0.37 1.22 97.98 0.25 0.00 0.00 0.00 28 K H H 128.17 4.27 23.69 28.80 91.42 52.12 -63.13 -41.65 0.90 0.00 99.10 0.06 0.07 0.68 98.94 0.25 0.00 0.00 0.00 29 R H H 106.50 7.01 23.96 31.16 91.92 47.38 -67.00 -39.77 0.29 0.00 99.71 0.03 0.02 0.19 99.56 0.20 0.00 0.00 0.00 30 A H H 1.31 26.61 16.83 44.17 91.25 51.10 -63.54 -43.57 0.13 0.00 99.87 0.01 0.01 0.07 99.86 0.05 0.00 0.00 0.00 31 I H H 26.06 18.87 21.95 39.96 91.26 49.73 -63.34 -42.72 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 32 K H H 108.34 3.02 26.45 28.73 91.57 50.22 -63.95 -41.80 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 33 S H H 12.35 13.79 19.94 35.01 91.65 50.13 -64.23 -41.98 0.23 0.00 99.77 0.02 0.01 0.17 99.70 0.10 0.00 0.00 0.00 34 V H H 3.53 25.38 15.51 41.17 91.58 49.52 -64.36 -42.82 0.55 0.00 99.45 0.03 0.02 0.47 99.22 0.26 0.00 0.00 0.00 35 I H H 77.87 11.17 19.57 30.79 91.66 49.79 -65.54 -35.41 2.95 0.00 97.05 0.05 0.07 2.90 96.73 0.24 0.00 0.00 0.00 36 M C T 112.04 3.12 20.21 23.12 93.20 51.47 -85.38 -2.89 79.86 0.02 20.13 0.30 1.43 76.97 20.77 0.51 0.00 0.00 0.02 37 K C T 119.31 10.89 16.01 27.28 94.12 -119.85 62.92 28.29 98.75 0.01 1.24 0.69 2.60 95.71 0.86 0.13 0.00 0.00 0.01 38 K C C 110.42 6.11 22.06 28.79 95.76 128.33 -84.58 -13.77 99.47 0.38 0.15 48.50 48.23 2.79 0.04 0.11 0.00 0.16 0.17 39 A C C 5.27 24.73 13.53 38.08 123.31 61.79 -109.18 141.83 90.13 9.78 0.09 81.03 8.02 0.59 0.01 0.12 0.00 9.80 0.43 40 K C S 83.55 10.64 26.60 38.14 99.60 -173.60 -95.32 -25.12 87.53 12.46 0.01 17.31 69.67 0.30 0.00 0.01 0.00 12.59 0.12 41 C E E 5.82 21.89 26.49 47.81 138.53 10.50 -148.50 148.91 1.84 98.15 0.01 1.38 0.35 0.02 0.00 0.00 0.00 98.20 0.04 42 L E E 1.18 27.18 27.40 54.43 121.84 -158.11 -119.39 129.70 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 43 V E E 1.62 26.03 29.22 54.80 116.62 -160.63 -108.18 124.25 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 44 I E E 4.55 24.41 26.70 50.11 130.48 -175.57 -123.67 145.87 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 45 S E E 5.47 21.75 21.15 43.19 115.44 -115.80 -74.29 143.70 18.62 81.36 0.01 17.95 0.44 0.03 0.00 0.01 0.00 81.34 0.23 46 S C T 47.89 11.78 21.56 33.79 93.24 -128.60 -68.48 -22.28 92.77 6.91 0.32 3.14 23.17 66.87 0.01 0.35 0.00 6.17 0.29 47 N C T 96.84 5.06 22.19 28.08 94.41 60.60 -90.57 7.06 98.40 1.39 0.21 6.86 27.50 64.09 0.01 0.28 0.00 1.11 0.15 48 F C S 20.39 22.95 9.01 30.81 117.94 114.50 -77.29 142.35 98.49 1.41 0.10 38.05 60.49 0.20 0.04 0.03 0.00 0.47 0.72 49 P C C 63.42 4.09 18.33 23.06 114.10 -102.88 -63.27 149.24 99.81 0.08 0.11 99.46 0.35 0.06 0.06 0.01 0.00 0.02 0.04 50 S H H 78.53 3.82 13.94 19.58 91.79 -111.25 -57.87 -37.87 5.13 0.01 94.86 0.91 0.74 3.25 93.33 1.76 0.00 0.00 0.00 51 T H H 89.09 2.23 17.48 19.48 91.81 54.18 -64.28 -39.13 2.86 0.01 97.14 0.41 0.30 1.99 95.33 1.96 0.00 0.00 0.00 52 K H H 54.52 14.94 15.40 30.23 92.32 49.28 -67.13 -38.66 1.39 0.01 98.60 0.37 0.17 0.76 96.81 1.88 0.00 0.01 0.00 53 R H H 75.23 15.97 16.12 31.44 91.32 53.83 -61.90 -41.94 0.82 0.01 99.18 0.22 0.09 0.40 98.84 0.45 0.00 0.00 0.00 54 K H H 121.46 2.13 23.56 24.41 91.68 51.07 -63.91 -40.90 1.31 0.00 98.69 0.14 0.07 0.96 98.50 0.34 0.00 0.00 0.00 55 L H H 56.71 9.16 21.71 31.48 91.55 49.63 -64.67 -41.69 1.71 0.00 98.29 0.13 0.07 1.42 98.10 0.27 0.00 0.00 0.00 56 L H H 3.28 25.96 16.48 42.89 91.23 50.37 -63.84 -42.32 0.34 0.00 99.65 0.05 0.02 0.19 99.65 0.09 0.00 0.00 0.00 57 E H H 81.36 11.63 22.45 33.63 91.21 51.83 -62.46 -41.78 0.23 0.00 99.77 0.04 0.01 0.12 99.76 0.06 0.00 0.00 0.00 58 Y H H 120.71 3.08 25.17 27.27 91.64 50.05 -64.13 -42.31 0.22 0.00 99.78 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 59 Y H H 39.81 15.30 20.83 36.19 92.33 49.36 -64.80 -42.43 0.23 0.00 99.77 0.02 0.01 0.15 99.72 0.09 0.00 0.00 0.00 60 S H H 7.09 21.10 15.36 36.67 91.70 51.11 -63.61 -41.99 0.63 0.00 99.37 0.07 0.04 0.45 99.20 0.24 0.00 0.00 0.00 61 V H H 92.28 4.45 20.62 25.55 92.26 49.36 -64.81 -40.75 1.80 0.01 98.19 0.15 0.12 1.42 97.91 0.39 0.00 0.00 0.00 62 L H H 100.57 4.88 19.31 24.81 92.60 49.24 -67.22 -34.68 5.16 0.02 94.82 0.33 0.38 4.19 94.67 0.41 0.00 0.01 0.01 63 A H H 29.43 15.49 13.67 29.11 94.41 49.43 -81.19 -12.43 39.94 0.16 59.90 3.22 4.88 29.95 60.88 0.89 0.03 0.04 0.11 64 G C T 49.97 5.08 19.47 25.12 97.88 -104.33 70.64 15.32 92.38 0.16 7.46 18.06 11.65 62.36 6.46 1.29 0.00 0.07 0.11 65 G C C 47.86 5.64 19.16 25.45 100.12 -92.57 80.90 8.28 98.88 0.44 0.68 51.58 23.21 24.13 0.14 0.56 0.00 0.25 0.13 66 L C C 26.78 20.28 13.48 33.32 116.68 151.33 -87.90 133.84 95.18 4.76 0.06 73.69 21.16 0.41 0.01 0.05 0.00 4.40 0.29 67 P C C 57.76 7.84 24.82 33.22 113.43 -112.55 -69.65 142.08 75.23 24.72 0.06 72.52 2.26 0.16 0.01 0.04 0.00 24.67 0.33 68 I E E 31.33 23.17 15.05 37.57 122.31 -155.05 -115.35 130.80 6.83 93.16 0.01 6.49 0.36 0.02 0.00 0.01 0.00 92.63 0.50 69 I E E 45.44 12.61 23.68 36.65 119.91 -164.09 -113.42 127.57 0.72 99.28 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.24 0.04 70 F E E 90.96 14.23 20.98 34.55 117.26 -152.07 -100.32 127.00 2.25 97.75 0.00 2.19 0.06 0.00 0.00 0.00 0.00 97.63 0.12 71 H E E 33.97 18.53 14.77 32.98 124.01 -171.77 -116.90 140.45 46.19 53.72 0.09 43.73 1.33 0.16 0.02 0.06 0.00 54.09 0.62 72 S C C 83.68 3.06 21.60 24.75 99.68 -147.55 -93.22 10.34 88.03 11.72 0.26 47.44 36.88 3.28 0.04 0.25 0.00 11.63 0.47 73 A C S 34.27 14.32 14.75 29.15 120.26 99.48 -95.59 147.53 95.32 3.86 0.82 22.88 68.55 4.40 0.22 0.49 0.00 2.65 0.80 74 N C C 73.96 5.89 23.18 28.89 123.67 -116.02 -95.16 159.93 96.57 1.93 1.50 86.10 9.33 1.11 1.16 0.34 0.00 0.79 1.17 75 N H H 44.63 19.81 14.72 33.59 92.66 -107.22 -60.44 -36.40 6.28 0.04 93.68 1.31 1.79 3.30 92.29 1.26 0.01 0.01 0.02 76 E H H 112.94 5.04 21.38 27.03 92.22 54.21 -64.92 -40.97 3.08 0.02 96.90 0.41 0.42 2.21 95.49 1.44 0.01 0.01 0.00 77 E H H 84.57 6.09 22.62 28.95 92.42 48.78 -66.17 -40.85 1.88 0.04 98.08 0.40 0.25 1.26 96.05 1.99 0.01 0.03 0.01 78 L H H 4.89 23.45 15.94 39.69 91.87 50.49 -64.12 -42.87 1.13 0.01 98.86 0.16 0.13 0.79 97.16 1.75 0.00 0.01 0.00 79 G H H 8.85 15.19 17.06 33.35 91.70 51.27 -63.04 -41.27 3.51 0.04 96.46 0.38 0.30 2.74 94.20 2.34 0.01 0.02 0.01 80 S H H 68.17 2.64 22.06 23.89 92.46 51.04 -65.92 -39.97 9.33 0.08 90.59 0.79 0.90 7.66 87.69 2.83 0.05 0.05 0.03 81 I H H 58.79 12.05 18.16 30.46 93.07 48.18 -69.71 -37.93 15.85 0.14 84.02 0.94 1.96 13.31 81.63 1.91 0.11 0.06 0.08 82 T C H 19.07 18.96 13.66 32.39 98.69 40.33 -94.70 -8.61 57.12 0.83 42.04 5.12 11.74 39.27 40.27 2.55 0.15 0.27 0.62 83 E C T 148.23 2.46 18.07 21.09 95.16 -122.16 60.32 31.99 89.68 0.37 9.96 8.21 15.39 66.22 5.34 4.37 0.00 0.17 0.30 84 R C T 119.77 7.46 14.98 23.44 102.94 102.58 -98.87 5.60 91.78 0.65 7.57 10.58 32.15 49.52 2.21 4.79 0.00 0.31 0.44 85 G C S 50.81 4.24 18.16 23.24 97.18 -113.97 76.58 10.05 95.52 1.26 3.22 30.15 40.10 25.09 0.56 2.89 0.00 0.74 0.47 86 H C C 68.10 12.70 17.48 30.51 128.94 103.21 -117.40 148.68 90.90 7.99 1.10 65.07 24.03 2.04 0.36 0.88 0.00 5.00 2.63 87 R C C 104.63 11.32 23.50 34.59 113.39 -112.40 -79.87 131.78 85.29 13.97 0.74 77.16 6.98 1.20 0.27 0.54 0.00 9.58 4.28 88 L C C 10.61 24.55 18.73 43.03 121.94 -160.49 -111.22 136.88 70.81 28.77 0.42 67.10 3.30 0.38 0.16 0.27 0.00 25.84 2.96 89 G C S 11.90 17.10 26.16 43.15 99.80 -174.26 -90.98 -32.93 74.62 25.06 0.31 25.18 48.62 0.92 0.05 0.19 0.00 24.67 0.37 90 C E E 7.24 22.13 27.20 48.72 137.55 7.83 -148.94 145.63 5.94 93.81 0.24 4.67 1.03 0.16 0.06 0.09 0.00 93.82 0.17 91 I E E 3.69 26.34 26.37 52.19 123.79 -161.51 -123.33 133.20 0.73 99.19 0.08 0.63 0.05 0.01 0.04 0.01 0.00 99.24 0.02 92 S E E 8.57 21.10 28.23 48.25 123.21 -164.67 -116.31 133.41 0.56 99.37 0.07 0.48 0.02 0.01 0.05 0.01 0.00 99.42 0.01 93 I E E 8.40 23.40 21.81 45.13 116.13 -154.20 -105.11 122.66 2.78 97.15 0.07 2.73 0.08 0.01 0.06 0.01 0.00 96.95 0.15 94 I C E 57.81 13.06 22.84 35.71 100.39 -169.33 -89.65 -25.08 51.52 47.85 0.63 28.15 22.39 1.65 0.24 0.34 0.00 46.65 0.58 95 D C S 68.22 7.97 21.73 30.06 118.52 39.80 -122.17 114.10 83.65 13.01 3.35 33.03 43.86 7.12 1.63 1.55 0.01 11.37 1.44 96 Q C T 81.92 14.13 15.80 29.50 96.03 -152.12 -68.58 -19.27 58.44 2.69 38.87 17.38 12.48 28.72 24.33 14.18 0.16 1.71 1.05 97 G C H 32.42 7.06 19.58 27.33 95.11 62.15 -47.66 -41.68 52.61 1.14 46.25 13.93 9.57 28.79 30.06 16.34 0.09 0.63 0.60 98 E H H 67.53 13.47 17.47 30.70 94.06 52.33 -72.13 -26.70 32.73 0.91 66.36 14.32 5.74 11.94 43.14 23.95 0.03 0.50 0.37 99 A H H 22.26 18.72 13.91 32.12 93.13 69.06 -65.43 -31.92 23.85 0.62 75.53 7.40 3.98 11.26 48.02 28.71 0.05 0.35 0.23 100 E H H 129.24 2.97 21.96 25.05 92.84 57.31 -70.11 -22.80 29.03 0.71 70.26 7.86 4.70 14.84 44.82 27.01 0.08 0.40 0.29 101 L H H 65.76 9.60 18.23 28.53 94.53 61.55 -74.26 -28.08 34.21 1.34 64.46 11.60 7.45 15.61 45.28 18.61 0.14 0.74 0.57 102 I H H 24.12 20.75 13.14 32.88 98.97 64.65 -71.56 -37.98 39.46 2.45 58.09 20.42 12.53 9.16 45.26 10.40 0.08 1.36 0.80 103 P H H 69.40 7.93 17.40 26.01 97.95 52.34 -67.84 -30.61 42.22 2.75 55.03 25.22 5.76 11.55 41.44 13.33 0.03 1.97 0.70 104 A H H 67.87 5.57 14.41 20.93 97.83 57.69 -75.02 -22.06 43.71 3.52 52.77 20.07 8.21 16.61 36.74 14.88 0.12 2.24 1.13 105 K C H 118.55 6.78 11.64 19.73 101.27 64.02 -82.06 -4.52 61.18 3.15 35.67 23.68 17.39 21.75 26.37 7.74 0.11 1.70 1.25 106 G C C 49.81 4.55 11.99 18.15 109.31 -50.04 75.41 25.71 86.58 1.16 12.26 58.68 3.12 25.49 8.66 2.80 0.00 0.67 0.59 107 E C C 135.66 3.75 12.88 18.21 107.72 -119.01 -84.88 105.73 99.91 0.05 0.04 99.75 0.11 0.08 0.02 0.00 0.00 0.02 0.01