# 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 115.51 5.74 13.75 20.80 112.11 -160.04 -91.27 125.31 99.90 0.09 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 A C C 61.33 7.24 11.53 20.12 114.57 -157.55 -89.01 139.14 94.43 4.28 1.29 90.45 1.13 3.31 0.32 0.60 0.00 3.47 0.71 2 K C C 131.90 4.90 14.44 20.79 112.95 -143.55 -97.05 122.23 85.90 12.63 1.47 58.80 19.38 6.83 0.20 1.49 0.00 12.47 0.83 3 Q C C 66.77 12.42 13.86 26.81 123.28 -161.60 -113.39 141.44 59.49 39.35 1.16 43.48 12.57 2.53 0.15 1.05 0.00 39.52 0.70 4 K E E 90.22 9.58 20.11 30.18 125.77 -160.24 -120.06 139.70 21.69 78.12 0.18 19.49 1.81 0.21 0.04 0.11 0.00 77.84 0.49 5 I E E 11.16 22.44 15.95 38.68 123.27 -161.77 -119.21 134.02 4.30 95.69 0.01 4.13 0.15 0.01 0.00 0.00 0.00 95.59 0.11 6 R E E 88.35 9.18 25.02 34.51 118.03 -157.75 -110.63 126.91 1.43 98.57 0.00 1.34 0.05 0.00 0.00 0.00 0.00 98.59 0.02 7 I E E 6.14 24.71 17.13 42.47 120.64 -166.91 -115.24 128.65 0.66 99.34 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.32 0.01 8 R E E 84.98 9.22 26.71 36.40 116.99 -160.87 -109.87 124.47 0.57 99.43 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 9 L E E 3.88 25.95 17.12 43.90 123.76 -170.37 -117.87 137.34 1.34 98.66 0.00 1.34 0.02 0.00 0.00 0.00 0.00 98.62 0.02 10 K E E 82.69 8.81 27.08 36.41 123.65 -165.68 -118.27 136.04 3.96 96.03 0.01 3.70 0.17 0.01 0.00 0.00 0.00 95.98 0.13 11 A E E 7.30 22.59 14.24 36.80 136.31 170.03 -143.38 157.85 28.50 71.43 0.06 27.53 0.95 0.09 0.02 0.04 0.00 70.40 0.97 12 Y C S 124.75 6.75 21.24 28.71 94.74 -135.12 -77.33 -25.60 98.74 1.23 0.04 6.26 92.10 0.62 0.01 0.01 0.00 0.92 0.08 13 D C C 62.56 7.58 19.15 27.77 115.08 53.43 -117.07 110.50 98.70 1.15 0.15 67.89 30.55 0.47 0.08 0.06 0.00 0.50 0.45 14 H H H 92.14 12.97 14.38 27.71 93.02 -161.96 -63.15 -34.73 3.09 0.01 96.90 0.49 0.51 1.92 96.28 0.78 0.00 0.00 0.00 15 R H H 159.49 1.56 21.53 22.04 91.91 55.86 -64.22 -40.46 1.65 0.01 98.35 0.17 0.16 1.23 97.70 0.73 0.00 0.00 0.00 16 I H H 39.92 11.57 18.76 31.37 92.13 47.98 -65.52 -41.63 0.73 0.00 99.27 0.13 0.07 0.44 98.63 0.72 0.00 0.00 0.00 17 L H H 5.40 24.66 14.90 39.67 91.23 51.15 -63.17 -43.26 0.33 0.00 99.67 0.07 0.03 0.16 99.61 0.14 0.00 0.00 0.00 18 D H H 66.71 8.88 23.27 32.24 91.55 50.23 -63.78 -42.02 0.33 0.00 99.67 0.05 0.02 0.18 99.71 0.05 0.00 0.00 0.00 19 Q H H 94.05 3.01 26.50 28.65 91.68 49.12 -64.56 -42.08 0.29 0.00 99.71 0.03 0.01 0.19 99.73 0.04 0.00 0.00 0.00 20 S H H 7.20 19.50 20.98 40.55 91.86 49.75 -64.29 -42.68 0.36 0.00 99.64 0.04 0.02 0.23 99.68 0.04 0.00 0.00 0.00 21 A H H 6.12 22.90 19.96 42.56 91.26 51.94 -62.69 -42.32 0.18 0.00 99.82 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 22 E H H 104.58 4.29 26.51 31.05 91.45 50.97 -63.72 -41.65 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 23 K H H 83.63 8.22 25.52 34.09 91.62 49.63 -64.59 -42.30 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 24 I H H 2.06 26.58 20.45 47.21 91.24 49.02 -63.84 -43.71 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 25 V H H 25.05 17.48 22.21 39.15 91.29 49.59 -62.93 -42.98 0.14 0.00 99.86 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 26 E H H 102.78 2.47 26.85 27.98 91.38 50.04 -63.49 -42.17 0.31 0.00 99.69 0.05 0.01 0.16 99.76 0.03 0.00 0.00 0.00 27 T H H 20.43 13.59 21.14 35.51 91.88 49.52 -64.45 -42.35 0.54 0.00 99.45 0.04 0.03 0.36 99.51 0.06 0.00 0.00 0.00 28 A H H 3.63 24.07 14.74 39.06 91.30 51.02 -63.43 -42.31 0.98 0.00 99.02 0.14 0.07 0.60 98.98 0.21 0.00 0.00 0.00 29 K H H 129.17 4.87 19.76 25.98 91.33 50.91 -62.97 -40.02 1.80 0.01 98.19 0.24 0.10 1.31 97.56 0.77 0.00 0.00 0.00 30 R H H 161.91 2.28 19.59 22.00 90.93 53.57 -65.80 -28.66 8.01 0.02 91.97 0.25 0.29 7.56 91.14 0.73 0.01 0.01 0.01 31 S C T 36.59 13.61 13.95 28.11 94.15 51.07 -88.88 -0.85 67.71 0.04 32.25 0.40 1.21 65.26 32.12 0.96 0.01 0.01 0.04 32 G C T 55.83 1.67 21.39 21.99 96.25 -104.77 86.04 12.34 99.85 0.02 0.13 2.19 1.58 96.15 0.04 0.02 0.00 0.01 0.00 33 A C C 14.07 21.88 9.53 30.38 121.00 140.17 -86.93 149.50 98.32 1.66 0.02 96.51 1.86 0.10 0.00 0.01 0.00 1.42 0.10 34 S E E 75.16 2.81 24.46 26.91 111.06 -125.31 -87.64 125.61 42.96 56.96 0.08 40.41 1.64 0.21 0.02 0.06 0.00 56.80 0.87 35 V E E 32.23 22.95 11.03 32.61 121.35 -165.66 -114.02 131.53 11.34 88.61 0.05 11.01 0.36 0.04 0.03 0.03 0.00 82.47 6.06 36 S E E 67.15 4.59 20.89 26.06 116.40 -172.90 -114.53 127.47 29.39 70.56 0.05 23.25 5.79 0.34 0.01 0.04 0.00 69.57 1.01 37 G C E 33.52 4.94 20.76 26.22 132.75 -17.26 112.07 -175.69 54.69 45.29 0.02 22.23 31.68 0.45 0.00 0.02 0.00 45.31 0.31 38 P C C 65.60 13.42 16.21 29.40 115.87 -61.27 -70.61 146.22 61.74 38.24 0.02 54.73 5.31 0.15 0.00 0.03 0.00 39.08 0.70 39 I E E 34.55 16.39 15.97 32.92 118.84 -153.19 -114.85 125.89 21.72 78.26 0.02 19.88 1.16 0.03 0.01 0.01 0.00 70.04 8.86 40 P E E 79.76 5.76 23.09 29.43 114.49 -116.43 -68.95 142.84 37.54 62.44 0.01 36.57 1.04 0.04 0.00 0.01 0.00 59.33 3.02 41 L C C 31.12 21.75 12.50 33.45 116.88 -121.64 -84.14 138.66 90.90 9.08 0.02 88.92 2.48 0.05 0.00 0.01 0.00 8.06 0.49 42 P C C 44.08 10.65 17.65 29.48 114.13 -103.54 -65.56 148.75 90.78 8.92 0.30 87.89 2.68 0.40 0.07 0.20 0.00 8.02 0.74 43 T C C 87.28 7.44 16.10 24.69 99.88 -152.87 -88.80 -15.25 72.65 25.77 1.58 37.13 34.16 2.20 0.31 1.22 0.00 23.72 1.26 44 E E E 101.86 4.90 18.16 24.16 125.20 57.19 -117.79 143.77 21.28 77.05 1.67 15.83 5.33 1.35 0.35 1.04 0.00 75.50 0.61 45 K E E 98.55 13.16 13.43 26.70 127.71 -167.07 -129.20 140.20 6.49 92.51 1.01 5.48 0.72 0.30 0.31 0.41 0.00 92.59 0.20 46 S E E 38.16 9.12 17.20 27.82 129.35 -171.53 -127.59 147.71 2.42 97.36 0.22 1.98 0.19 0.07 0.08 0.06 0.00 97.55 0.07 47 V E E 65.60 10.19 16.76 28.11 119.13 -143.40 -109.49 129.77 1.73 98.13 0.14 1.44 0.11 0.03 0.04 0.04 0.00 98.31 0.04 48 Y E E 50.62 13.73 15.29 30.21 124.50 -170.13 -118.85 138.85 1.91 97.88 0.21 1.66 0.11 0.03 0.07 0.06 0.00 98.02 0.05 49 T E E 55.68 8.72 19.07 28.95 118.72 -148.03 -106.56 131.26 3.35 96.36 0.29 3.07 0.15 0.05 0.13 0.09 0.00 96.40 0.12 50 I E E 31.16 15.13 14.93 31.04 118.28 -159.31 -109.29 127.08 11.89 86.42 1.69 10.43 0.97 0.38 1.06 0.51 0.00 86.06 0.60 51 L E E 63.04 8.77 16.29 26.59 115.83 -143.37 -92.09 132.11 32.62 61.01 6.37 25.71 5.37 2.23 3.62 2.42 0.01 59.44 1.20 52 R C E 110.83 8.30 14.38 23.85 113.88 -148.84 -95.41 130.47 49.62 39.45 10.92 33.54 11.93 5.04 6.38 4.38 0.06 36.21 2.46 53 A C C 43.74 7.19 11.65 20.73 117.33 -118.95 -93.48 140.35 67.78 19.61 12.60 48.52 11.78 7.03 7.02 5.70 0.03 17.22 2.70 54 V C T 97.51 4.49 11.11 17.11 98.48 -131.10 -72.32 -19.33 76.03 4.83 19.14 20.62 26.14 30.77 8.62 9.15 0.10 2.95 1.65 55 H C T 133.72 2.68 10.32 14.09 104.24 51.95 -87.66 22.54 79.21 2.98 17.81 16.51 27.33 36.86 6.60 9.62 0.06 1.62 1.40 56 K C T 150.42 2.18 10.87 14.07 101.04 -61.59 -73.94 -5.85 80.38 5.33 14.29 21.30 28.66 32.12 4.03 8.85 0.04 3.09 1.89 57 Y C C 118.80 5.97 8.66 16.32 110.40 66.85 -102.78 96.23 79.56 11.34 9.10 44.64 17.04 18.84 2.57 6.38 0.01 7.76 2.76 58 K C T 141.18 3.35 11.17 16.17 98.32 155.07 -73.42 -23.16 78.09 11.70 10.21 25.71 19.24 34.87 1.84 7.89 0.03 8.62 1.80 59 D C T 111.25 2.38 13.20 16.35 99.39 47.35 -89.44 10.73 78.54 12.59 8.87 25.32 20.15 34.47 1.26 7.24 0.01 10.22 1.33 60 S C C 43.20 8.90 10.42 20.97 117.88 107.83 -91.12 139.00 72.34 21.99 5.67 51.04 14.34 6.75 1.00 4.91 0.00 20.49 1.47 61 R C E 121.65 7.85 13.07 22.34 121.13 -155.29 -107.95 138.96 51.37 46.54 2.09 40.48 7.13 3.30 0.50 1.59 0.00 45.54 1.46 62 E E E 92.00 8.95 14.15 24.24 120.39 -159.08 -107.69 139.68 31.91 67.23 0.86 25.12 5.10 1.48 0.18 0.65 0.00 66.92 0.54 63 Q E E 96.24 7.47 15.62 24.41 121.41 -146.79 -110.98 136.82 12.87 86.90 0.23 10.77 1.64 0.40 0.06 0.14 0.00 86.76 0.24 64 F E E 58.85 14.02 12.66 27.34 130.00 -176.35 -128.28 150.06 3.65 96.31 0.03 3.26 0.18 0.03 0.01 0.01 0.00 96.45 0.07 65 E E E 93.60 6.63 18.40 26.22 122.89 -154.33 -114.65 138.02 1.05 98.94 0.01 0.91 0.05 0.01 0.00 0.00 0.00 99.01 0.02 66 M E E 59.31 15.04 14.34 29.52 123.91 -161.86 -114.49 137.55 0.99 99.00 0.01 0.89 0.03 0.00 0.00 0.00 0.00 99.07 0.01 67 R E E 90.84 9.30 18.89 29.13 122.55 -166.71 -116.64 134.91 1.06 98.93 0.01 0.94 0.04 0.00 0.00 0.00 0.00 99.00 0.01 68 T E E 44.69 13.54 17.37 31.45 122.20 -159.04 -112.66 134.83 2.12 97.87 0.01 1.85 0.12 0.01 0.00 0.00 0.00 97.98 0.04 69 H E E 40.21 14.08 17.94 32.93 126.30 -171.69 -123.60 140.59 3.93 96.06 0.01 3.42 0.33 0.03 0.00 0.01 0.00 96.14 0.07 70 K E E 89.03 11.22 21.14 32.36 122.85 -152.80 -112.27 137.77 7.14 92.85 0.01 6.48 0.35 0.02 0.00 0.00 0.00 93.07 0.07 71 R E E 34.00 18.95 18.10 36.73 127.31 -167.82 -123.08 140.26 4.55 95.45 0.01 4.17 0.22 0.01 0.00 0.00 0.00 95.54 0.06 72 L E E 38.83 11.60 23.88 36.38 118.50 -151.83 -108.87 128.60 0.97 99.03 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.09 0.02 73 I E E 6.09 24.16 18.35 43.12 119.67 -164.74 -113.23 128.19 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 74 D E E 44.84 10.00 26.38 37.02 116.07 -160.55 -106.92 123.45 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 75 I E E 8.96 23.22 17.02 40.71 115.39 -162.37 -107.97 122.40 2.42 97.57 0.01 2.34 0.06 0.01 0.00 0.00 0.00 97.47 0.12 76 V E E 51.75 9.37 21.31 31.45 122.82 -166.61 -110.31 142.19 27.93 72.04 0.03 11.74 15.19 0.72 0.00 0.03 0.00 71.99 0.33 77 N C S 106.94 3.55 22.58 26.46 92.28 6.46 58.41 49.33 89.65 10.33 0.01 6.96 80.99 1.06 0.00 0.01 0.00 10.86 0.13 78 P C C 17.47 22.56 10.09 31.78 118.16 -168.68 -72.97 147.11 95.38 4.60 0.03 89.83 5.92 0.13 0.01 0.01 0.00 3.46 0.64 79 T C C 58.74 5.02 21.00 26.18 120.49 -125.05 -82.12 160.00 99.76 0.19 0.04 99.14 0.67 0.03 0.03 0.00 0.00 0.06 0.08 80 P H H 86.84 6.63 15.00 23.07 91.11 -107.17 -58.18 -36.43 2.84 0.00 97.16 0.18 0.26 2.25 96.55 0.75 0.00 0.00 0.00 81 Q H H 121.77 1.81 19.43 20.47 91.67 53.51 -64.89 -39.07 1.60 0.00 98.39 0.09 0.10 1.32 97.67 0.81 0.00 0.00 0.00 82 T H H 21.72 15.94 16.01 32.25 92.67 48.25 -66.32 -41.56 0.53 0.00 99.46 0.06 0.04 0.36 98.88 0.67 0.00 0.00 0.00 83 V H H 15.51 19.68 15.37 35.04 91.44 51.45 -62.51 -43.35 0.14 0.00 99.86 0.02 0.01 0.08 99.68 0.21 0.00 0.00 0.00 84 D H H 81.40 3.18 22.21 24.84 91.41 50.71 -63.69 -40.25 0.31 0.00 99.69 0.02 0.01 0.22 99.30 0.44 0.00 0.00 0.00 85 A H H 35.58 7.39 19.26 28.01 91.64 51.59 -64.63 -40.66 0.76 0.00 99.24 0.04 0.03 0.63 98.36 0.96 0.00 0.00 0.00 86 L H H 12.05 22.70 14.46 36.84 92.29 52.29 -65.78 -37.23 2.27 0.01 97.73 0.11 0.10 1.95 96.06 1.77 0.00 0.00 0.00 87 M H H 78.91 12.65 17.01 29.67 91.39 58.38 -68.83 -23.31 29.06 0.10 70.83 1.14 1.07 26.85 68.14 2.64 0.04 0.05 0.06 88 R C T 172.54 1.49 19.64 20.18 94.83 57.86 -84.62 -8.23 64.80 0.25 34.95 3.21 2.54 56.99 34.04 2.95 0.01 0.12 0.14 89 L C C 46.79 16.39 10.08 26.16 116.90 101.53 -80.28 142.07 92.79 2.39 4.81 50.10 35.98 6.53 4.07 1.06 0.00 1.03 1.23 90 D C C 117.71 1.63 20.29 21.44 108.50 -124.01 -87.79 113.57 93.94 5.31 0.75 88.95 2.88 2.23 0.37 0.29 0.00 3.35 1.93 91 L C C 38.57 21.11 9.54 28.94 120.27 -168.22 -99.86 139.14 96.53 3.43 0.05 91.85 4.94 0.08 0.02 0.02 0.00 1.55 1.53 92 P C C 52.73 7.52 16.14 25.31 116.31 -106.94 -65.43 153.98 99.05 0.73 0.22 97.54 1.10 0.59 0.04 0.11 0.00 0.37 0.26 93 S C T 90.09 2.33 15.75 19.22 110.99 -86.34 -62.90 138.44 98.54 0.64 0.83 1.29 6.74 90.61 0.07 0.68 0.00 0.40 0.21 94 G C T 49.43 3.44 17.04 21.36 96.23 24.94 86.29 -4.44 98.26 1.16 0.57 2.61 6.15 89.51 0.03 0.57 0.00 1.03 0.10 95 V C C 24.76 19.39 9.91 28.93 119.74 115.90 -100.12 134.37 67.38 32.47 0.15 61.55 4.60 0.33 0.03 0.14 0.00 32.25 1.11 96 D E E 88.53 3.97 22.68 26.84 115.33 -151.21 -103.07 125.77 22.21 77.72 0.07 21.40 0.65 0.10 0.01 0.04 0.00 77.34 0.45 97 I E E 30.24 22.53 11.47 33.06 124.27 -169.85 -121.47 135.23 10.16 89.84 0.01 10.05 0.14 0.01 0.00 0.00 0.00 89.66 0.12 98 E E E 102.73 4.26 23.20 27.82 122.71 -168.08 -118.38 135.00 4.10 95.89 0.01 4.10 0.06 0.01 0.00 0.00 0.00 95.76 0.07 99 I E E 46.35 19.66 11.42 30.14 121.10 -162.11 -115.16 130.73 5.31 94.69 0.00 5.44 0.06 0.01 0.00 0.00 0.00 94.33 0.16 100 K E E 118.81 3.86 17.92 22.99 122.90 -169.73 -120.12 137.64 14.01 85.98 0.01 14.25 0.13 0.02 0.00 0.01 0.00 85.07 0.52 101 L C C 88.45 10.68 13.10 24.37 114.26 -134.80 -89.00 130.37 96.98 3.02 0.00 97.08 0.06 0.00 0.00 0.00 0.00 2.83 0.02