# 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 111.04 7.01 12.03 20.48 114.53 -155.36 -91.29 133.72 99.90 0.07 0.03 99.84 0.06 0.05 0.01 0.00 0.00 0.03 0.01 1 S C C 74.05 4.73 11.08 17.69 116.26 -157.51 -95.56 137.73 86.54 5.90 7.56 81.77 1.40 4.34 4.09 2.42 0.00 4.32 1.67 2 Q C C 129.50 3.75 11.54 17.06 108.92 -146.47 -91.92 91.82 71.76 13.67 14.57 48.66 14.06 9.40 7.88 6.43 0.03 11.21 2.33 3 A C C 59.34 9.22 10.99 21.22 116.09 -151.00 -99.08 135.99 67.61 16.58 15.81 48.61 11.24 7.63 8.57 6.90 0.02 15.35 1.68 4 S C C 65.07 6.54 15.01 23.07 122.43 -165.85 -114.66 140.58 58.85 26.45 14.71 45.84 7.19 5.10 8.80 5.56 0.02 25.61 1.86 5 L C C 75.45 13.26 11.88 25.24 120.50 -156.83 -110.19 131.88 48.34 40.53 11.13 39.92 4.73 2.76 8.22 3.10 0.03 38.82 2.43 6 R E E 138.64 5.21 16.05 22.89 119.87 -162.90 -110.41 131.73 43.24 47.31 9.45 35.27 4.28 2.87 7.41 2.62 0.03 44.48 3.03 7 E C C 119.11 7.34 12.94 21.84 115.13 -139.19 -92.20 129.36 56.39 35.05 8.57 34.58 9.73 12.03 5.56 3.00 0.06 33.14 1.90 8 G C C 47.27 5.34 15.76 22.15 111.63 34.65 92.74 -5.38 81.21 14.03 4.76 38.31 19.55 23.78 1.84 2.46 0.01 12.95 1.10 9 A C C 61.98 6.76 16.21 23.96 117.51 -6.89 -93.89 148.25 86.27 9.25 4.48 39.24 27.67 19.75 1.37 2.85 0.00 8.04 1.07 10 A C T 54.31 10.40 17.43 27.90 110.82 -98.35 -76.48 138.61 84.04 13.27 2.69 27.72 28.10 28.33 0.46 2.08 0.00 12.41 0.89 11 G C E 14.89 15.55 17.71 32.98 109.78 -10.89 96.98 13.02 56.04 42.70 1.26 24.85 18.17 12.91 0.14 1.13 0.00 42.17 0.63 12 E E E 63.51 12.00 22.89 35.09 122.50 -82.17 -110.57 136.19 14.75 84.86 0.39 12.10 2.37 0.46 0.13 0.22 0.00 84.02 0.70 13 L E E 9.59 23.78 18.10 42.00 120.89 -161.68 -113.13 129.88 3.99 95.88 0.13 3.51 0.30 0.08 0.05 0.05 0.00 95.82 0.19 14 Q E E 72.39 9.88 26.43 36.63 115.62 -158.22 -108.04 123.43 3.66 96.19 0.15 3.15 0.30 0.09 0.07 0.05 0.00 96.17 0.18 15 L E E 8.91 24.67 15.19 40.20 115.15 -159.12 -98.00 125.51 12.30 87.37 0.34 11.56 0.55 0.15 0.16 0.11 0.00 86.98 0.50 16 A E E 50.98 8.20 23.54 31.89 122.47 -169.24 -109.06 137.32 30.26 69.41 0.33 17.89 10.07 2.68 0.06 0.28 0.00 68.50 0.54 17 G C E 28.17 6.71 23.40 30.76 130.31 14.11 117.82 -167.95 53.14 46.80 0.06 6.80 41.86 2.73 0.00 0.06 0.00 48.25 0.30 18 V E E 67.61 9.94 23.91 33.94 118.80 -41.66 -94.18 132.25 44.25 55.65 0.10 40.39 2.73 0.30 0.02 0.09 0.00 55.54 0.93 19 L E E 8.14 25.34 13.41 39.27 112.15 -144.16 -89.29 124.50 26.62 73.23 0.14 25.35 0.89 0.10 0.10 0.06 0.00 57.06 16.43 20 D C C 59.70 6.65 23.92 30.67 133.44 171.35 -127.91 168.77 68.72 31.15 0.14 67.60 1.68 0.16 0.07 0.07 0.00 26.48 3.94 21 Y C T 137.11 9.63 15.52 25.89 92.03 -97.61 -61.15 -33.16 60.80 0.22 38.98 0.99 3.88 57.61 4.51 32.73 0.00 0.13 0.15 22 S C T 88.70 1.33 19.95 20.13 91.82 57.08 -69.97 -26.01 61.73 0.12 38.15 0.69 2.88 60.36 3.90 32.03 0.00 0.06 0.09 23 S C T 23.07 15.70 14.34 30.21 97.38 47.08 -95.28 -12.03 51.30 0.26 48.43 4.10 5.50 40.98 11.55 37.51 0.01 0.13 0.23 24 G H H 9.47 20.11 13.79 33.47 93.55 89.52 -58.57 -46.71 7.00 0.01 92.99 3.94 1.12 2.03 91.93 0.97 0.00 0.00 0.01 25 P H H 76.95 3.30 22.63 25.41 91.76 49.21 -63.85 -39.62 1.77 0.00 98.23 0.27 0.14 1.18 97.46 0.94 0.00 0.00 0.00 26 A H H 48.05 5.24 22.54 28.12 91.51 50.84 -64.59 -40.09 0.81 0.01 99.19 0.16 0.07 0.49 98.44 0.83 0.00 0.00 0.00 27 L H H 4.46 25.20 15.91 41.30 91.45 51.09 -64.21 -42.70 0.29 0.00 99.70 0.06 0.02 0.15 99.48 0.29 0.00 0.00 0.00 28 R H H 90.76 15.23 21.56 35.41 91.23 51.46 -61.88 -42.28 0.21 0.00 99.79 0.03 0.01 0.12 99.76 0.09 0.00 0.00 0.00 29 E H H 122.17 1.84 26.07 26.42 91.44 48.83 -64.32 -41.31 0.34 0.00 99.66 0.03 0.01 0.22 99.67 0.07 0.00 0.00 0.00 30 Q H H 55.96 11.17 23.39 34.63 91.88 48.09 -65.46 -41.25 0.51 0.00 99.49 0.04 0.02 0.36 99.50 0.08 0.00 0.00 0.00 31 G H H 1.20 26.19 17.30 43.89 91.38 51.87 -63.12 -42.83 0.87 0.00 99.13 0.08 0.04 0.58 99.17 0.13 0.00 0.00 0.00 32 G H H 21.24 11.87 22.67 34.82 91.38 52.56 -62.72 -41.54 0.94 0.00 99.06 0.07 0.04 0.67 99.03 0.19 0.00 0.00 0.00 33 R H H 128.51 2.73 26.52 28.44 91.79 50.48 -64.61 -41.30 0.98 0.00 99.01 0.10 0.06 0.68 98.86 0.29 0.00 0.00 0.00 34 L H H 16.54 18.72 19.84 38.50 91.46 50.17 -64.27 -42.71 1.10 0.01 98.89 0.20 0.11 0.67 98.55 0.47 0.00 0.00 0.00 35 I H H 10.75 23.74 16.36 39.80 91.80 49.88 -64.44 -39.23 2.36 0.02 97.62 0.41 0.21 1.61 96.74 1.00 0.00 0.01 0.00 36 R H H 159.14 3.01 21.81 25.52 91.57 51.92 -67.49 -30.36 7.69 0.02 92.29 0.55 0.51 6.33 91.72 0.87 0.01 0.01 0.01 37 A H H 64.36 5.41 18.80 24.84 94.22 53.12 -80.97 -16.44 26.62 0.09 73.29 2.28 2.99 20.76 72.81 1.05 0.03 0.03 0.06 38 S C T 23.46 19.78 10.86 29.28 121.68 83.09 -97.59 153.98 81.81 0.85 17.34 28.62 21.97 30.71 15.24 2.64 0.01 0.33 0.49 39 Q C C 144.39 1.65 21.86 22.99 96.95 -141.33 -85.87 8.44 94.09 1.06 4.84 46.18 18.56 29.79 1.90 2.55 0.00 0.63 0.39 40 A C C 15.39 20.85 11.69 32.11 117.84 126.42 -76.92 144.84 91.66 2.96 5.38 68.90 15.31 7.08 0.93 5.01 0.00 2.10 0.68 41 A C S 59.86 6.43 23.40 30.53 96.07 -145.07 -77.42 -29.14 94.70 3.36 1.95 12.97 75.97 5.84 0.17 1.55 0.00 3.27 0.24 42 E E E 57.47 11.91 24.67 36.92 135.87 9.96 -146.15 146.10 23.31 73.87 2.82 14.46 6.76 3.17 0.31 2.30 0.00 72.64 0.37 43 L E E 3.48 26.23 20.78 47.48 123.23 -162.19 -123.00 129.72 1.41 98.57 0.02 1.25 0.08 0.01 0.00 0.01 0.00 98.60 0.04 44 V E E 17.21 17.58 28.71 46.29 116.62 -161.49 -110.83 122.32 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.80 0.00 45 V E E 2.07 26.40 24.06 50.62 116.37 -164.04 -110.12 122.44 0.19 99.81 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.81 0.01 46 D E E 32.20 13.45 27.81 41.80 108.91 -151.19 -98.81 109.22 4.03 95.91 0.06 3.67 0.17 0.03 0.02 0.02 0.00 96.01 0.07 47 C C C 2.77 25.74 18.14 45.36 96.85 173.85 -96.71 -0.04 60.38 26.58 13.05 44.98 7.79 5.95 0.64 13.14 0.00 27.01 0.50 48 S C T 53.73 10.22 22.52 33.85 91.26 97.56 -64.62 -21.79 64.04 21.16 14.80 7.71 15.69 41.01 0.40 15.16 0.01 18.99 1.02 49 A C T 48.16 8.83 22.67 32.67 92.97 55.60 -90.02 -5.43 64.73 19.65 15.62 13.77 13.19 37.45 0.40 16.51 0.00 17.93 0.74 50 V C C 6.83 25.64 11.05 36.86 112.78 98.82 -83.57 126.56 55.43 44.28 0.30 52.95 2.23 0.26 0.10 0.19 0.00 41.89 2.37 51 E C E 122.62 3.81 23.20 27.87 98.52 -172.82 -92.12 -28.01 53.11 46.72 0.18 34.68 18.25 1.21 0.03 0.14 0.00 44.55 1.13 52 R E E 113.70 5.56 24.56 31.04 135.99 10.45 -148.71 148.15 23.35 76.47 0.17 15.11 8.51 1.11 0.04 0.13 0.00 73.49 1.61 53 S E E 14.38 24.73 13.36 37.24 127.40 -163.46 -127.86 141.86 24.01 75.81 0.18 22.42 1.32 0.13 0.11 0.08 0.00 67.67 8.27 54 S C C 36.82 9.42 23.09 32.69 126.32 -133.61 -89.14 168.83 81.60 17.87 0.53 79.30 2.25 0.18 0.51 0.09 0.00 16.29 1.38 55 S H H 65.33 8.70 20.64 30.17 91.23 -94.59 -61.19 -35.42 4.08 0.01 95.91 0.30 0.55 2.97 95.83 0.35 0.00 0.00 0.00 56 V H H 62.55 9.62 24.10 33.78 91.88 53.27 -64.62 -40.45 0.84 0.00 99.16 0.04 0.04 0.65 99.09 0.17 0.00 0.00 0.00 57 G H H 1.60 25.41 19.26 44.90 91.27 51.08 -64.07 -42.46 0.28 0.00 99.72 0.03 0.01 0.17 99.61 0.18 0.00 0.00 0.00 58 I H H 19.76 21.36 23.28 43.58 91.36 51.12 -63.61 -42.11 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.03 0.00 0.00 0.00 59 S H H 45.10 7.39 27.90 35.96 91.41 51.93 -63.41 -41.69 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 60 L H H 18.50 19.46 24.78 43.50 91.57 50.23 -64.29 -42.91 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 61 L H H 0.97 28.42 23.19 52.10 90.89 50.16 -63.13 -43.06 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 62 L H H 47.23 13.49 26.94 40.42 91.57 50.49 -63.91 -41.68 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 63 A H H 29.03 8.76 26.21 36.17 91.30 51.13 -63.68 -42.55 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 64 F H H 6.31 23.97 22.35 45.88 91.54 49.81 -64.17 -43.25 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 65 I H H 19.13 20.42 21.90 41.51 91.29 50.38 -62.95 -42.71 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 66 R H H 116.89 4.04 26.26 30.01 91.49 50.04 -63.31 -42.43 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 67 D H H 37.64 9.82 21.70 32.56 91.73 49.21 -64.96 -41.63 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 68 A H H 4.45 21.81 13.83 36.20 91.27 51.26 -63.56 -42.39 0.37 0.00 99.63 0.04 0.02 0.25 99.59 0.11 0.00 0.00 0.00 69 R H H 137.05 5.88 18.30 25.57 91.31 50.97 -62.77 -40.93 0.75 0.00 99.25 0.05 0.03 0.59 98.98 0.35 0.00 0.00 0.00 70 K H H 153.10 1.42 18.45 19.35 90.66 52.93 -65.50 -29.43 5.06 0.00 94.93 0.12 0.13 4.93 94.40 0.41 0.00 0.00 0.00 71 A C T 46.67 10.17 13.02 24.41 93.22 52.99 -85.21 -4.71 69.83 0.02 30.15 0.26 0.75 68.66 29.67 0.63 0.00 0.00 0.02 72 G C T 61.42 1.01 19.65 18.94 94.24 -108.55 79.83 15.51 99.91 0.00 0.09 0.86 0.62 98.48 0.03 0.01 0.00 0.00 0.00 73 K C C 54.11 16.39 11.22 27.31 125.04 136.05 -101.31 153.17 99.03 0.97 0.01 98.39 0.79 0.03 0.00 0.00 0.00 0.75 0.04 74 V E E 82.05 5.21 24.54 30.02 115.99 -125.94 -93.59 132.96 34.43 65.55 0.02 33.84 0.45 0.02 0.00 0.01 0.00 65.38 0.28 75 L E E 11.61 25.40 14.49 40.10 123.68 -164.75 -115.66 135.73 4.22 95.77 0.01 3.97 0.15 0.00 0.00 0.00 0.00 95.79 0.08 76 S E E 30.02 10.44 27.32 38.59 129.49 -174.53 -126.28 147.00 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 77 V E E 14.12 24.13 17.68 41.82 118.70 -148.01 -110.05 128.14 0.64 99.35 0.01 0.60 0.01 0.00 0.00 0.00 0.00 99.34 0.04 78 R E E 88.63 10.38 22.42 32.94 128.66 -171.21 -120.05 148.89 13.84 86.07 0.09 8.93 4.28 0.65 0.01 0.08 0.00 85.82 0.24 79 A C S 66.15 5.80 23.24 29.54 94.78 9.07 61.83 41.62 85.44 14.49 0.06 25.61 56.67 2.24 0.00 0.07 0.00 15.09 0.31 80 L C C 19.88 23.62 10.49 33.18 117.19 -159.25 -78.22 141.65 98.33 1.61 0.05 90.99 7.47 0.12 0.02 0.02 0.00 1.13 0.24 81 P C C 43.01 7.92 17.17 26.88 116.02 -108.99 -65.22 153.96 99.22 0.20 0.59 98.42 0.68 0.28 0.40 0.06 0.00 0.07 0.09 82 D H H 114.04 1.97 16.93 19.52 91.29 -107.82 -58.44 -37.00 12.90 0.03 87.07 1.55 2.34 8.97 84.59 2.50 0.02 0.01 0.02 83 D H H 83.14 4.21 17.98 22.92 91.76 54.37 -64.84 -37.23 9.93 0.03 90.04 1.19 1.06 7.54 87.47 2.69 0.02 0.01 0.02 84 M H H 15.45 21.33 13.49 34.56 92.49 50.02 -66.71 -40.42 3.81 0.03 96.16 1.09 0.50 2.12 93.75 2.51 0.01 0.02 0.01 85 R H H 91.54 13.04 17.50 30.32 91.42 53.83 -61.68 -42.35 1.12 0.01 98.87 0.35 0.14 0.52 98.61 0.37 0.00 0.01 0.00 86 E H H 109.02 1.85 22.90 22.80 91.55 50.15 -63.46 -42.24 1.16 0.02 98.82 0.35 0.12 0.60 98.55 0.35 0.00 0.01 0.00 87 I H H 37.37 11.55 18.95 31.59 91.98 48.68 -64.74 -42.80 0.98 0.02 99.00 0.21 0.11 0.58 98.69 0.39 0.00 0.01 0.00 88 A H H 4.63 22.65 13.37 36.16 91.30 50.76 -64.01 -41.93 1.78 0.03 98.20 0.40 0.19 1.07 97.56 0.75 0.01 0.01 0.01 89 K H H 124.31 4.36 18.89 24.32 92.28 50.77 -64.41 -40.27 5.86 0.04 94.10 0.58 0.36 4.80 93.03 1.17 0.02 0.02 0.01 90 V H H 95.07 3.08 18.11 21.25 92.47 50.29 -67.45 -34.48 10.59 0.06 89.35 0.52 0.72 9.49 88.44 0.74 0.03 0.02 0.03 91 S C T 31.68 12.97 13.43 27.19 95.46 49.39 -88.65 -2.88 70.21 0.39 29.40 2.91 9.45 55.71 29.59 1.85 0.04 0.11 0.33 92 S C T 72.82 4.11 19.90 24.67 93.97 -119.51 64.76 29.31 93.27 0.17 6.56 8.29 6.55 78.34 4.49 2.13 0.00 0.08 0.13 93 L H G 18.95 19.43 12.96 32.70 94.79 125.08 -85.23 -12.39 47.04 0.51 52.45 33.24 3.96 10.25 13.81 38.22 0.00 0.26 0.26 94 L H G 56.96 15.96 13.13 28.76 91.40 83.49 -64.01 -24.45 23.87 0.31 75.82 3.12 2.54 17.17 13.74 63.11 0.01 0.18 0.13 95 E H G 150.73 1.26 19.27 19.59 91.21 61.77 -71.55 -21.13 29.57 0.15 70.28 1.24 2.36 24.59 13.56 58.07 0.01 0.08 0.08 96 I H T 83.21 8.68 16.06 25.46 98.73 47.72 -90.78 -18.35 48.29 0.35 51.36 1.85 5.84 39.77 16.51 35.48 0.08 0.19 0.27 97 L C S 22.41 21.12 10.23 30.33 117.18 68.17 -109.22 124.92 97.82 1.84 0.34 16.87 80.73 0.60 0.18 0.09 0.00 0.79 0.74 98 P C C 76.95 4.45 19.65 24.52 110.97 -125.71 -69.95 134.88 94.64 4.53 0.83 87.47 4.68 2.58 0.20 0.54 0.00 3.70 0.82 99 L C C 67.37 16.24 10.03 25.34 114.94 -158.34 -95.13 127.98 60.52 36.81 2.67 49.58 5.38 3.65 1.21 1.52 0.00 22.63 16.03 100 Q C C 109.95 4.90 13.09 19.72 118.72 -160.29 -102.78 138.73 70.01 28.67 1.32 66.00 1.37 2.55 0.47 0.71 0.00 23.94 4.96 101 E C C 143.34 3.19 14.04 19.00 110.01 -115.66 -78.20 123.54 99.57 0.42 0.01 99.49 0.09 0.03 0.00 0.00 0.00 0.37 0.01