# 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 94.40 10.70 15.66 26.54 108.65 -161.09 -94.70 88.15 99.95 0.05 0.00 99.91 0.04 0.02 0.00 0.00 0.00 0.02 0.00 1 G C C 45.34 6.22 16.92 24.29 116.82 -148.19 -100.35 145.98 92.43 7.45 0.12 90.76 1.40 1.09 0.02 0.07 0.00 5.17 1.49 2 I C C 40.85 19.05 12.09 30.27 117.31 -143.28 -104.84 125.20 79.78 20.18 0.04 65.09 14.20 0.28 0.01 0.03 0.00 19.44 0.96 3 P C C 57.64 7.18 21.73 29.52 114.56 -122.75 -69.96 146.11 74.77 25.19 0.03 70.68 2.49 0.13 0.00 0.02 0.00 26.39 0.28 4 I E E 51.42 19.76 14.29 32.86 121.47 -148.12 -111.09 132.98 19.51 80.46 0.03 18.64 0.70 0.04 0.00 0.02 0.00 80.31 0.28 5 L E E 52.99 10.85 19.50 31.32 124.18 -170.00 -119.45 137.14 1.14 98.86 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.83 0.04 6 K E E 120.41 7.90 17.19 26.61 114.75 -137.62 -95.55 127.32 1.30 98.69 0.01 1.17 0.06 0.01 0.00 0.00 0.00 98.71 0.05 7 L E E 51.06 13.78 13.35 27.50 113.41 -177.00 -124.93 102.39 14.04 85.92 0.04 11.98 1.23 0.19 0.01 0.03 0.00 86.27 0.28 8 G C T 50.88 2.12 17.95 20.26 110.15 -58.06 63.12 -129.28 99.32 0.54 0.13 1.07 16.54 81.74 0.00 0.15 0.00 0.47 0.04 9 E C T 110.94 8.89 17.07 26.74 96.39 -15.24 -94.19 3.32 99.70 0.21 0.09 0.65 16.24 82.82 0.00 0.10 0.00 0.17 0.02 10 C E E 14.67 19.23 16.34 35.74 128.78 82.90 -116.70 146.88 4.28 95.71 0.01 2.93 0.87 0.07 0.00 0.00 0.00 96.03 0.09 11 L E E 11.48 19.50 20.83 40.81 118.37 -144.37 -106.76 129.34 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 12 L E E 20.88 16.35 25.34 41.99 117.07 -157.84 -108.14 125.06 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 13 I E E 4.73 24.35 21.50 46.01 120.58 -168.45 -115.75 128.20 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 14 S E E 23.17 12.60 26.90 40.17 117.55 -157.10 -105.31 128.58 4.60 95.39 0.01 4.24 0.19 0.01 0.00 0.00 0.00 95.49 0.06 15 I E E 6.36 24.69 16.38 41.61 117.62 -161.00 -106.73 126.97 34.71 65.22 0.07 34.10 0.70 0.08 0.02 0.04 0.00 64.40 0.67 16 Q C C 94.72 7.25 23.84 31.31 105.19 -162.42 -100.70 18.77 69.50 30.24 0.26 53.64 14.03 1.03 0.05 0.21 0.00 30.22 0.82 17 S C S 37.33 9.61 20.29 30.59 136.02 62.93 -140.50 166.76 75.44 23.60 0.96 25.58 46.71 4.09 0.12 0.82 0.00 21.58 1.10 18 E C C 110.83 5.83 22.87 29.15 114.98 -82.13 -77.26 138.41 77.25 21.66 1.10 69.70 5.28 1.97 0.22 0.95 0.00 19.87 2.00 19 L C C 15.77 23.84 11.60 35.31 109.18 -123.15 -83.63 117.47 80.32 18.77 0.91 74.59 4.77 0.80 0.40 0.53 0.00 10.74 8.18 20 D C C 65.89 4.47 22.33 26.76 131.66 165.91 -122.83 169.95 97.53 1.77 0.71 86.72 10.38 0.52 0.59 0.14 0.00 0.79 0.86 21 D H H 96.15 6.46 15.03 23.03 91.89 -95.67 -60.63 -36.55 9.45 0.02 90.53 0.55 1.74 7.03 89.76 0.88 0.02 0.00 0.01 22 H H H 135.51 1.50 19.62 19.88 92.32 51.23 -65.58 -40.55 8.34 0.01 91.65 0.34 0.70 7.24 90.55 1.14 0.02 0.00 0.01 23 T H H 24.01 13.76 16.30 30.92 92.46 48.35 -66.31 -40.76 5.72 0.03 94.25 0.71 0.57 4.18 93.09 1.40 0.02 0.01 0.01 24 A H H 8.95 20.54 14.50 35.06 91.64 52.95 -62.57 -42.75 0.80 0.00 99.19 0.22 0.08 0.39 98.99 0.32 0.00 0.00 0.00 25 V H H 75.12 4.03 22.14 26.09 91.71 50.19 -63.99 -41.03 0.35 0.00 99.65 0.06 0.02 0.21 99.55 0.17 0.00 0.00 0.00 26 E H H 97.04 3.56 22.93 26.05 91.86 50.00 -64.77 -41.65 0.35 0.00 99.65 0.04 0.02 0.23 99.59 0.13 0.00 0.00 0.00 27 F H H 13.24 21.41 17.50 38.81 92.19 49.65 -64.78 -42.28 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.07 0.00 0.00 0.00 28 Q H H 51.57 17.58 19.33 35.71 91.65 52.96 -61.77 -42.49 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 29 E H H 118.32 2.25 23.91 25.16 91.98 49.84 -64.77 -41.33 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 30 D H H 61.01 7.53 22.40 30.27 92.02 48.69 -66.37 -40.94 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.06 0.00 0.00 0.00 31 L H H 4.41 24.73 16.99 41.88 91.86 49.50 -65.27 -42.99 0.39 0.00 99.61 0.03 0.02 0.26 99.61 0.08 0.00 0.00 0.00 32 L H H 44.66 14.96 20.29 34.92 91.54 51.42 -62.86 -41.83 0.51 0.00 99.49 0.04 0.02 0.34 99.46 0.14 0.00 0.00 0.00 33 A H H 57.05 2.45 23.95 24.96 91.46 50.86 -64.05 -41.45 1.72 0.00 98.28 0.11 0.07 1.33 98.17 0.32 0.00 0.00 0.00 34 K H H 58.69 11.32 19.85 31.70 92.27 50.05 -65.99 -40.96 2.63 0.01 97.36 0.32 0.23 1.86 96.98 0.60 0.00 0.00 0.00 35 I H H 7.70 23.96 13.24 37.01 92.21 50.66 -64.72 -41.60 4.13 0.06 95.82 1.02 0.55 2.61 94.46 1.30 0.01 0.03 0.02 36 H H H 119.23 5.20 18.55 24.85 93.15 48.80 -67.55 -37.39 8.32 0.06 91.63 1.58 0.76 5.74 90.21 1.64 0.01 0.03 0.03 37 E H H 140.03 1.55 18.80 19.49 94.65 47.58 -73.60 -29.62 16.80 0.07 83.13 1.75 1.76 12.96 82.08 1.36 0.02 0.02 0.04 38 T C H 49.63 12.09 13.72 26.16 101.58 41.50 -97.15 -6.67 53.51 0.30 46.20 6.21 13.15 32.78 45.79 1.71 0.04 0.08 0.23 39 S C T 81.96 3.44 21.29 25.24 96.53 -124.57 58.21 31.92 98.73 0.19 1.08 41.08 5.47 52.42 0.47 0.37 0.00 0.12 0.07 40 A C C 11.96 22.68 11.84 34.13 116.28 167.12 -73.20 142.90 96.99 2.48 0.53 94.23 2.01 0.97 0.11 0.31 0.00 2.03 0.33 41 R C S 124.63 7.01 25.42 33.31 98.90 -157.29 -94.57 -12.59 94.27 5.48 0.25 36.63 54.74 3.02 0.04 0.25 0.00 4.93 0.39 42 G E E 5.38 18.79 25.13 43.02 148.68 -25.49 -167.90 172.98 36.91 62.82 0.27 20.19 14.83 2.39 0.02 0.26 0.00 61.90 0.40 43 V E E 2.06 26.52 24.09 51.00 127.41 -113.22 -129.44 139.98 1.66 98.33 0.00 1.48 0.08 0.00 0.00 0.00 0.00 98.39 0.05 44 V E E 11.86 21.06 28.65 49.07 116.25 -155.91 -107.97 122.37 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 45 I E E 2.74 26.07 24.60 50.63 116.42 -164.52 -110.00 121.45 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 46 D E E 35.21 13.70 27.30 41.27 109.38 -151.32 -97.33 111.06 3.29 96.70 0.00 3.12 0.11 0.01 0.00 0.00 0.00 96.70 0.06 47 I C C 5.24 24.78 17.37 43.47 99.75 174.17 -105.15 16.67 64.00 29.42 6.58 57.48 3.52 2.02 0.48 6.15 0.00 29.80 0.55 48 T C T 64.84 10.69 21.03 32.60 91.66 112.44 -65.60 -23.08 66.65 20.32 13.03 15.44 16.05 35.83 0.45 13.81 0.01 17.30 1.11 49 S C T 58.74 7.07 21.70 29.66 94.24 56.40 -89.55 -5.05 70.71 16.77 12.52 18.01 14.41 37.89 0.36 14.17 0.00 14.20 0.96 50 I C C 16.02 23.31 10.29 33.05 116.13 97.17 -89.26 129.28 70.41 28.56 1.03 66.12 3.62 0.66 0.25 0.82 0.00 25.49 3.03 51 D C S 103.15 3.26 21.33 25.45 98.26 -173.80 -92.30 -25.86 77.05 22.62 0.33 35.00 39.93 3.11 0.04 0.32 0.00 20.61 0.99 52 F E E 100.64 5.87 23.18 29.85 135.40 19.60 -146.22 147.67 46.35 53.25 0.40 21.93 22.63 3.27 0.07 0.37 0.00 49.25 2.47 53 I E E 27.37 23.43 12.61 35.46 118.20 -147.93 -110.32 123.76 40.56 59.24 0.20 37.29 3.15 0.18 0.13 0.10 0.00 43.10 16.05 54 D C C 54.49 7.96 20.58 29.05 128.59 -160.28 -100.43 168.78 91.55 8.17 0.28 91.10 1.01 0.11 0.24 0.04 0.00 6.81 0.70 55 S H H 73.36 5.05 18.47 24.64 91.59 -99.45 -60.66 -34.76 6.97 0.01 93.02 0.28 0.73 5.87 92.52 0.58 0.01 0.00 0.00 56 F H H 90.68 7.93 20.62 29.00 91.97 54.31 -64.61 -40.23 2.36 0.00 97.64 0.07 0.14 2.07 97.40 0.32 0.00 0.00 0.00 57 I H H 6.19 24.12 16.64 40.76 91.73 49.36 -64.68 -42.00 0.51 0.00 99.49 0.04 0.02 0.35 99.30 0.27 0.00 0.00 0.00 58 A H H 21.95 16.58 19.74 36.19 91.42 52.72 -62.24 -40.81 0.12 0.00 99.88 0.01 0.00 0.06 99.84 0.08 0.00 0.00 0.00 59 K H H 118.66 3.07 25.64 28.47 91.73 51.10 -64.51 -41.02 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.06 0.00 0.00 0.00 60 I H H 20.27 18.09 21.73 39.48 91.63 49.66 -64.55 -42.94 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 61 L H H 4.42 26.20 20.13 46.29 91.11 50.81 -63.10 -42.78 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 62 G H H 27.22 9.07 24.33 33.73 91.44 51.54 -62.92 -41.72 0.27 0.00 99.73 0.01 0.01 0.20 99.75 0.03 0.00 0.00 0.00 63 D H H 68.42 6.13 26.29 32.75 91.75 49.41 -65.61 -40.97 0.35 0.00 99.65 0.03 0.02 0.24 99.68 0.04 0.00 0.00 0.00 64 V H H 3.54 24.88 20.61 45.28 91.88 49.49 -63.99 -43.46 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 65 V H H 22.30 19.16 21.45 39.83 91.34 50.08 -62.77 -42.71 0.13 0.00 99.87 0.01 0.01 0.08 99.85 0.04 0.00 0.00 0.00 66 S H H 59.85 2.81 26.20 27.94 91.73 50.11 -63.94 -42.01 0.34 0.00 99.66 0.03 0.01 0.24 99.64 0.08 0.00 0.00 0.00 67 M H H 43.90 11.44 21.56 33.69 91.80 49.49 -64.91 -41.70 0.41 0.00 99.59 0.03 0.02 0.30 99.49 0.16 0.00 0.00 0.00 68 S H H 4.30 23.66 13.99 37.78 91.26 51.76 -63.31 -42.36 0.81 0.00 99.19 0.09 0.05 0.58 98.76 0.52 0.00 0.00 0.00 69 K H H 132.32 4.52 19.55 25.58 91.45 51.14 -63.38 -40.18 1.52 0.00 98.48 0.09 0.06 1.30 97.41 1.14 0.00 0.00 0.00 70 L H H 117.56 2.30 19.20 21.39 91.25 52.05 -66.20 -32.91 5.62 0.01 94.37 0.16 0.20 5.33 93.38 0.93 0.00 0.00 0.00 71 M C T 69.18 12.35 15.16 27.99 93.88 47.71 -88.36 -1.55 53.30 0.06 46.65 0.79 1.66 50.57 45.46 1.44 0.01 0.02 0.05 72 G C T 51.21 2.72 22.69 25.25 95.78 -111.71 77.42 18.52 99.84 0.02 0.14 2.70 1.08 96.13 0.05 0.02 0.00 0.01 0.00 73 A C C 9.53 22.61 12.62 35.01 123.43 144.96 -89.53 154.22 97.93 2.06 0.01 97.20 0.80 0.03 0.00 0.00 0.00 1.91 0.05 74 K E E 88.44 8.44 27.29 36.67 118.31 -125.19 -94.45 136.84 10.07 89.91 0.01 9.66 0.28 0.02 0.00 0.01 0.00 89.83 0.20 75 V E E 3.88 26.58 19.29 46.68 120.96 -152.66 -114.10 129.85 0.86 99.14 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.01 76 V E E 16.02 17.61 28.63 46.17 118.65 -166.53 -116.15 125.67 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 77 V E E 5.03 25.23 24.19 49.10 116.83 -161.11 -106.40 124.15 0.31 99.69 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.66 0.02 78 T E E 19.97 18.45 24.33 42.16 129.07 -174.89 -126.89 147.36 9.64 90.33 0.03 6.92 2.06 0.27 0.00 0.03 0.00 90.53 0.18 79 G C S 29.84 8.90 25.48 35.78 94.60 18.95 71.23 29.88 91.08 8.89 0.03 19.96 66.94 3.28 0.00 0.04 0.00 9.57 0.20 80 I C C 16.11 24.36 12.33 36.23 115.98 163.79 -83.42 134.61 96.15 3.75 0.11 90.27 6.15 0.16 0.05 0.05 0.00 2.28 1.04 81 Q C C 83.06 7.21 20.78 28.36 117.07 -119.02 -73.82 151.28 99.79 0.11 0.11 99.35 0.44 0.04 0.08 0.01 0.00 0.03 0.05 82 P H H 94.85 4.26 17.26 22.95 91.59 -109.66 -57.24 -38.10 3.46 0.00 96.54 0.25 0.28 2.72 95.58 1.17 0.00 0.00 0.00 83 A H H 59.64 4.61 19.79 24.77 91.56 53.36 -64.23 -37.61 2.29 0.00 97.70 0.17 0.14 1.82 96.50 1.36 0.00 0.00 0.00 84 V H H 12.09 21.31 15.80 36.74 92.52 48.32 -67.32 -40.47 1.00 0.01 99.00 0.22 0.10 0.57 97.91 1.20 0.00 0.01 0.00 85 A H H 23.32 17.21 16.92 33.84 91.43 54.05 -61.61 -42.81 0.67 0.01 99.32 0.26 0.06 0.25 99.28 0.13 0.00 0.00 0.00 86 I H H 96.48 2.15 23.63 24.05 91.56 50.01 -63.83 -42.11 0.39 0.00 99.60 0.10 0.03 0.18 99.64 0.05 0.00 0.00 0.00 87 T H H 33.57 10.59 19.40 31.14 91.55 49.89 -64.69 -42.44 0.29 0.00 99.70 0.06 0.03 0.15 99.71 0.06 0.00 0.00 0.00 88 L H H 4.15 25.04 13.31 38.56 91.42 50.33 -64.07 -42.65 0.36 0.01 99.63 0.07 0.03 0.19 99.57 0.13 0.00 0.00 0.00 89 I H H 89.39 8.16 17.91 26.87 91.64 50.22 -63.61 -40.87 0.56 0.01 99.43 0.07 0.03 0.37 99.21 0.30 0.00 0.00 0.00 90 E H H 140.89 1.62 18.67 19.85 90.45 53.84 -65.12 -29.59 4.22 0.01 95.78 0.10 0.12 4.04 95.34 0.38 0.00 0.00 0.00 91 L C T 53.66 13.49 13.63 27.78 93.17 53.96 -86.27 -2.11 66.51 0.03 33.46 0.29 0.92 65.28 32.59 0.89 0.00 0.01 0.02 92 G C T 51.88 2.51 21.23 23.48 96.17 -106.87 85.61 13.35 99.31 0.01 0.68 1.59 1.05 96.85 0.45 0.06 0.00 0.00 0.00 93 I C C 19.72 21.94 10.00 31.26 115.06 141.56 -90.71 129.95 98.00 0.85 1.14 94.69 2.78 0.79 0.53 0.38 0.00 0.37 0.45 94 T C C 80.14 4.50 23.54 28.26 115.72 -156.62 -105.08 122.94 95.49 1.94 2.57 90.54 2.88 2.39 0.93 1.34 0.00 1.08 0.83 95 F C C 33.61 22.55 10.95 32.37 99.31 -169.33 -93.68 4.33 87.58 2.98 9.44 73.74 6.10 6.48 1.59 9.01 0.00 1.66 1.41 96 S C T 88.50 2.30 18.70 21.87 96.65 100.05 -67.10 -12.17 90.49 1.21 8.30 10.57 13.66 65.49 0.84 8.18 0.00 0.78 0.49 97 G C T 52.07 3.72 18.75 23.24 95.88 42.21 -87.14 1.20 93.21 1.17 5.63 10.83 14.90 66.60 0.38 6.18 0.00 0.87 0.25 98 V C C 15.01 23.55 10.80 33.67 118.20 101.56 -95.23 131.74 79.12 20.26 0.62 65.91 11.90 0.99 0.13 0.57 0.00 18.86 1.65 99 L E E 70.27 9.07 25.23 34.51 114.71 -130.87 -82.87 135.62 32.32 67.42 0.26 30.56 1.65 0.29 0.08 0.16 0.00 66.12 1.13 100 S E E 33.06 21.00 17.83 37.20 130.98 -166.48 -124.34 147.26 8.94 90.88 0.18 8.47 0.57 0.11 0.11 0.09 0.00 85.86 4.79 101 A E E 14.31 15.99 18.46 35.20 131.79 -173.26 -128.40 152.43 23.37 76.48 0.15 23.44 0.54 0.09 0.09 0.07 0.00 72.07 3.71 102 M C S 107.86 7.64 21.13 29.37 94.99 -135.75 -79.29 -22.07 98.75 1.19 0.06 7.76 90.25 0.89 0.01 0.03 0.00 1.00 0.07 103 D C S 64.65 4.94 24.39 29.48 137.73 11.48 -149.10 158.00 98.50 1.03 0.47 24.48 73.48 0.74 0.37 0.08 0.00 0.32 0.54 104 L H H 35.12 20.94 13.81 34.14 91.54 -110.11 -60.40 -37.56 2.78 0.01 97.21 0.36 0.50 1.78 96.31 1.04 0.00 0.00 0.00 105 E H H 121.17 3.61 21.88 26.27 91.39 53.68 -63.03 -41.42 1.74 0.00 98.25 0.20 0.15 1.26 97.09 1.29 0.00 0.00 0.00 106 S H H 47.67 4.04 22.29 26.28 91.72 47.99 -65.20 -40.37 0.96 0.00 99.04 0.15 0.08 0.61 97.58 1.57 0.00 0.00 0.00 107 G H H 2.66 21.25 15.55 37.55 91.35 51.78 -62.94 -43.77 0.82 0.00 99.18 0.18 0.07 0.43 98.82 0.50 0.00 0.00 0.00 108 L H H 30.92 16.93 19.81 36.40 91.73 49.81 -64.15 -41.50 0.53 0.00 99.46 0.11 0.04 0.27 99.46 0.12 0.00 0.00 0.00 109 E H H 106.99 2.21 24.55 25.16 91.51 50.61 -63.65 -42.08 0.25 0.00 99.75 0.04 0.01 0.12 99.76 0.06 0.00 0.00 0.00 110 K H H 73.14 7.58 21.03 29.34 91.86 49.31 -64.80 -41.43 0.21 0.00 99.79 0.03 0.01 0.11 99.79 0.06 0.00 0.00 0.00 111 L H H 7.40 22.47 14.22 36.94 91.51 49.89 -63.74 -42.47 0.24 0.00 99.76 0.03 0.01 0.13 99.74 0.08 0.00 0.00 0.00 112 K H H 95.97 8.86 17.59 27.16 91.35 51.00 -63.02 -40.75 0.46 0.00 99.54 0.06 0.03 0.29 99.49 0.14 0.00 0.00 0.00 113 Q H H 125.30 1.21 18.49 18.03 92.56 49.33 -65.45 -40.08 1.45 0.00 98.55 0.14 0.09 1.05 98.43 0.30 0.00 0.00 0.00 114 E H H 95.51 6.94 15.15 23.23 93.29 46.90 -69.65 -35.70 5.41 0.01 94.58 0.32 0.34 4.35 94.60 0.38 0.00 0.00 0.00 115 L H H 50.26 13.84 10.32 24.16 96.35 44.42 -83.67 -18.10 29.79 0.07 70.15 2.10 2.69 23.62 70.83 0.68 0.02 0.02 0.05 116 G C T 53.90 2.63 14.24 17.86 103.42 -113.67 74.65 7.28 89.17 0.19 10.64 34.20 1.74 51.61 11.59 0.67 0.00 0.07 0.12 117 E C C 133.87 3.49 13.10 18.13 108.64 81.72 -83.43 105.42 99.96 0.02 0.02 99.89 0.05 0.04 0.01 0.00 0.00 0.01 0.00