# 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 115.09 5.76 13.87 20.94 112.93 -159.56 -93.65 126.82 99.88 0.11 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 A C C 60.77 7.49 11.36 20.19 114.42 -160.24 -89.81 139.79 93.98 4.55 1.46 89.71 1.14 3.62 0.37 0.69 0.00 3.68 0.79 2 K C C 132.34 4.83 14.43 20.69 112.06 -144.59 -95.93 118.65 86.36 12.04 1.61 58.70 19.27 7.60 0.21 1.63 0.00 11.73 0.85 3 Q C C 69.71 12.18 13.81 26.51 123.01 -158.38 -112.60 140.42 64.46 34.20 1.34 47.24 13.18 2.91 0.16 1.23 0.00 34.57 0.71 4 K E E 90.21 9.56 19.99 30.02 125.65 -158.61 -118.44 140.04 25.83 73.94 0.24 23.12 2.20 0.27 0.06 0.15 0.00 73.60 0.60 5 I E E 11.40 22.47 15.84 38.56 123.25 -160.83 -119.31 133.97 5.35 94.63 0.02 5.14 0.19 0.01 0.00 0.01 0.00 94.50 0.14 6 R E E 88.28 9.25 24.99 34.54 118.05 -158.48 -111.16 126.81 1.76 98.24 0.00 1.66 0.06 0.00 0.00 0.00 0.00 98.25 0.02 7 I E E 6.30 24.71 17.12 42.44 120.11 -165.40 -114.05 128.21 0.87 99.13 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.09 0.01 8 R E E 86.39 9.15 26.65 36.25 116.96 -161.53 -109.73 124.50 0.72 99.27 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.27 0.01 9 L E E 4.03 25.88 17.06 43.75 123.98 -170.60 -117.86 136.82 1.61 98.39 0.00 1.61 0.02 0.00 0.00 0.00 0.00 98.33 0.03 10 K E E 82.18 8.88 27.00 36.39 124.24 -166.57 -120.91 136.56 4.32 95.67 0.01 4.08 0.18 0.02 0.00 0.00 0.00 95.57 0.15 11 A E E 7.40 22.40 14.28 36.69 136.49 168.58 -144.18 159.02 28.47 71.46 0.07 27.58 0.95 0.10 0.02 0.05 0.00 70.22 1.09 12 Y C S 123.41 7.03 21.13 28.86 95.23 -137.30 -79.25 -24.93 98.93 1.03 0.04 5.57 92.98 0.61 0.01 0.02 0.00 0.74 0.08 13 E C C 83.24 7.29 19.12 27.44 113.20 57.32 -113.64 108.56 98.68 1.15 0.17 64.65 33.80 0.45 0.10 0.06 0.00 0.48 0.46 14 H H H 93.37 12.65 14.35 27.43 92.90 -157.56 -62.18 -36.22 3.21 0.01 96.78 0.50 0.50 2.06 95.86 1.08 0.00 0.00 0.00 15 R H H 157.48 1.66 21.51 22.21 91.86 55.48 -64.10 -40.11 1.79 0.01 98.20 0.20 0.17 1.33 97.22 1.06 0.00 0.00 0.00 16 I H H 39.55 11.60 18.73 31.37 92.21 48.28 -65.62 -41.58 0.79 0.01 99.20 0.17 0.08 0.47 98.26 1.01 0.00 0.00 0.00 17 L H H 5.07 24.79 14.86 39.81 91.20 51.18 -63.19 -43.33 0.33 0.00 99.67 0.08 0.03 0.15 99.59 0.15 0.00 0.00 0.00 18 D H H 67.44 8.98 23.39 32.42 91.55 50.35 -63.80 -41.92 0.30 0.00 99.70 0.05 0.02 0.15 99.73 0.05 0.00 0.00 0.00 19 Q H H 95.27 3.02 26.64 28.85 91.70 49.10 -64.57 -42.06 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 20 S H H 6.74 19.86 21.06 40.94 91.82 49.57 -64.16 -42.69 0.27 0.00 99.73 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 21 A H H 5.94 22.93 20.20 42.83 91.21 51.75 -62.83 -42.12 0.17 0.00 99.83 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 22 D H H 80.28 4.37 26.74 31.30 91.47 51.04 -64.04 -41.60 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 23 K H H 80.16 8.89 25.50 34.68 91.63 49.68 -64.75 -42.15 0.11 0.00 99.89 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 24 I H H 1.77 26.90 20.52 47.71 91.16 49.26 -63.76 -43.72 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 26.93 17.10 22.48 39.02 91.26 49.91 -62.95 -43.02 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 26 E H H 102.13 2.51 26.99 28.22 91.43 50.05 -63.57 -42.13 0.29 0.00 99.71 0.04 0.01 0.15 99.78 0.02 0.00 0.00 0.00 27 T H H 17.50 14.46 21.03 36.19 91.77 49.44 -64.40 -42.50 0.55 0.00 99.45 0.04 0.03 0.36 99.51 0.05 0.00 0.00 0.00 28 A H H 3.53 24.13 14.83 39.24 91.28 51.10 -63.46 -42.05 1.03 0.00 98.97 0.14 0.07 0.64 98.94 0.20 0.00 0.00 0.00 29 K H H 131.64 4.41 20.00 25.69 91.36 50.75 -63.27 -39.87 1.98 0.01 98.01 0.26 0.11 1.46 97.34 0.81 0.00 0.01 0.00 30 R H H 156.87 2.66 19.54 22.57 90.95 53.67 -66.05 -29.34 8.11 0.02 91.86 0.27 0.32 7.56 91.07 0.75 0.01 0.01 0.01 31 T C T 44.17 13.80 14.17 28.41 94.62 48.29 -90.77 -0.45 60.62 0.05 39.33 0.50 1.43 57.90 38.97 1.13 0.01 0.02 0.04 32 G C T 54.97 1.79 21.52 22.38 96.80 -104.58 85.57 12.35 99.82 0.03 0.16 3.48 1.92 94.50 0.05 0.03 0.00 0.01 0.00 33 A C C 14.15 21.86 9.53 30.36 120.89 140.96 -87.14 148.38 97.99 1.98 0.03 96.16 1.82 0.12 0.00 0.02 0.00 1.78 0.10 34 D E E 102.38 2.52 24.25 26.31 110.10 -127.22 -88.72 120.91 36.19 63.72 0.10 34.29 1.37 0.19 0.02 0.07 0.00 63.11 0.95 35 V E E 29.44 23.13 10.85 32.68 120.59 -165.83 -112.42 131.85 11.68 88.27 0.05 11.39 0.35 0.04 0.03 0.03 0.00 82.92 5.25 36 S E E 67.23 4.66 20.96 26.14 117.81 -172.06 -113.23 135.06 30.48 69.48 0.05 23.82 6.24 0.34 0.01 0.04 0.00 68.61 0.95 37 G C E 33.00 5.06 20.80 26.39 132.32 -14.52 115.97 -176.17 54.43 45.56 0.02 21.80 31.78 0.43 0.00 0.02 0.00 45.68 0.29 38 P C C 66.73 12.89 16.77 29.49 116.03 -58.17 -70.81 146.67 61.72 38.26 0.02 55.17 4.85 0.14 0.00 0.02 0.00 39.12 0.70 39 I E E 30.42 17.50 15.63 33.60 118.02 -152.12 -112.12 126.63 21.78 78.20 0.02 20.16 1.03 0.03 0.01 0.01 0.00 69.94 8.81 40 P E E 78.06 5.87 23.52 29.93 114.47 -117.26 -69.30 142.65 35.95 64.03 0.01 34.97 1.04 0.04 0.00 0.01 0.00 60.92 3.02 41 L C C 32.39 21.60 13.05 33.88 117.18 -123.75 -85.27 137.20 91.56 8.43 0.01 88.66 3.24 0.05 0.00 0.01 0.00 7.55 0.49 42 P C C 39.70 11.88 17.36 30.32 114.13 -103.85 -65.89 148.29 91.20 8.61 0.19 88.56 2.58 0.32 0.03 0.14 0.00 7.65 0.71 43 T C S 84.98 7.40 16.83 25.33 98.81 -151.80 -89.36 -17.07 78.61 20.64 0.74 30.20 47.00 1.87 0.08 0.64 0.00 19.43 0.77 44 E E E 98.35 5.30 18.80 25.14 127.11 49.01 -122.08 144.32 17.14 81.92 0.95 12.69 4.27 0.99 0.15 0.64 0.00 80.88 0.39 45 R E E 101.64 14.61 13.92 28.18 127.95 -168.28 -129.96 139.79 4.61 94.93 0.46 3.95 0.45 0.15 0.11 0.19 0.00 95.03 0.12 46 S E E 35.21 9.82 17.76 29.02 128.15 -168.23 -125.61 145.38 1.43 98.51 0.06 1.21 0.10 0.02 0.02 0.02 0.00 98.60 0.04 47 L E E 68.99 11.03 17.14 29.08 119.87 -147.65 -110.79 131.10 1.13 98.80 0.07 0.97 0.06 0.01 0.01 0.02 0.00 98.89 0.02 48 Y E E 53.03 13.26 15.79 30.27 125.56 -170.37 -120.91 140.14 1.55 98.33 0.13 1.36 0.09 0.02 0.03 0.04 0.00 98.41 0.04 49 T E E 52.45 9.34 18.63 29.17 119.17 -147.22 -106.63 132.21 2.92 96.90 0.18 2.69 0.14 0.04 0.07 0.06 0.00 96.90 0.11 50 V E E 30.65 14.17 15.16 30.51 118.73 -158.85 -110.14 128.36 10.69 88.51 0.81 9.48 0.89 0.26 0.43 0.30 0.00 88.14 0.52 51 I E E 65.14 8.81 15.86 26.28 115.98 -146.11 -97.32 131.37 30.16 66.97 2.87 23.95 5.30 1.65 1.38 1.29 0.00 65.35 1.07 52 R C E 113.83 7.73 13.97 23.03 115.53 -147.90 -95.36 131.64 51.79 42.21 6.00 37.64 11.04 3.80 2.98 2.87 0.03 39.27 2.36 53 A C C 45.80 7.26 10.95 20.08 118.23 -120.51 -90.17 141.95 73.33 17.96 8.70 53.52 12.66 6.87 3.89 4.69 0.01 16.08 2.26 54 T C T 93.01 3.58 10.86 15.88 101.97 -126.61 -76.80 -5.97 79.68 3.87 16.45 21.68 27.39 32.08 5.96 9.19 0.04 2.29 1.37 55 H C T 136.46 2.46 9.61 13.24 106.55 55.91 -88.20 32.50 79.81 2.44 17.74 16.90 27.63 36.72 5.44 10.72 0.03 1.27 1.28 56 K C T 152.27 1.94 10.54 13.37 100.67 7.08 -77.62 -12.44 80.58 3.79 15.63 18.14 29.49 34.62 3.86 10.20 0.03 2.09 1.57 57 Y C C 126.21 5.41 8.63 15.74 110.02 56.37 -105.84 92.05 79.98 9.18 10.84 40.53 18.67 22.03 2.80 7.64 0.01 5.96 2.35 58 K C T 138.18 3.48 10.75 15.89 100.28 161.03 -75.93 -19.58 78.29 11.43 10.28 27.50 20.21 32.30 1.93 7.85 0.02 8.42 1.76 59 D C T 110.59 2.43 13.03 16.35 100.89 47.71 -89.19 12.72 77.35 14.08 8.57 28.32 19.60 30.96 1.33 6.85 0.01 11.58 1.35 60 S C C 44.44 8.94 10.04 20.55 117.99 116.28 -92.54 140.71 70.61 24.58 4.80 51.37 13.10 5.87 0.96 3.99 0.00 23.20 1.51 61 R C E 124.35 7.29 13.09 21.90 121.58 -158.17 -111.11 139.87 49.29 48.75 1.96 38.85 6.96 3.17 0.52 1.42 0.00 47.57 1.51 62 E E E 93.51 8.91 13.92 24.00 121.38 -153.50 -108.93 138.79 31.11 68.12 0.77 24.71 4.65 1.45 0.18 0.55 0.00 67.93 0.54 63 Q E E 92.54 7.84 15.39 24.50 122.69 -156.36 -114.51 138.41 14.15 85.61 0.24 11.55 2.00 0.48 0.06 0.15 0.00 85.53 0.23 64 F E E 61.57 13.71 12.79 27.22 128.03 -173.98 -123.80 146.93 3.62 96.34 0.04 3.19 0.21 0.04 0.01 0.02 0.00 96.47 0.07 65 E E E 90.98 6.96 18.21 26.40 123.62 -158.60 -118.74 137.69 0.86 99.13 0.01 0.74 0.04 0.01 0.00 0.00 0.00 99.19 0.02 66 M E E 61.83 14.69 14.45 29.34 123.84 -160.86 -115.99 136.84 0.79 99.20 0.01 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.01 67 R E E 93.56 9.09 18.66 28.72 122.59 -167.74 -117.10 134.70 1.16 98.83 0.01 1.03 0.04 0.01 0.00 0.00 0.00 98.90 0.02 68 T E E 46.97 13.11 17.04 30.73 121.37 -157.69 -110.65 133.93 3.24 96.75 0.01 2.73 0.26 0.02 0.00 0.00 0.00 96.93 0.05 69 H E E 42.51 13.96 17.58 32.41 125.73 -170.27 -123.19 140.13 5.22 94.76 0.02 4.41 0.58 0.05 0.00 0.01 0.00 94.85 0.09 70 K E E 92.33 10.92 20.70 31.73 123.52 -154.22 -112.44 137.99 7.63 92.36 0.01 6.86 0.41 0.02 0.00 0.00 0.00 92.63 0.08 71 R E E 37.56 18.54 17.92 36.14 126.93 -167.89 -123.07 140.36 4.17 95.83 0.01 3.84 0.19 0.01 0.00 0.00 0.00 95.91 0.05 72 L E E 40.82 11.52 23.70 36.05 118.48 -154.75 -109.20 128.44 0.86 99.14 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.02 73 I E E 6.63 24.04 18.14 42.73 119.91 -165.12 -113.82 127.71 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 74 D E E 46.91 9.83 26.34 36.78 115.79 -159.91 -105.98 123.16 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 75 I E E 9.43 23.22 16.85 40.51 115.20 -162.38 -106.80 122.45 3.30 96.68 0.01 3.21 0.08 0.01 0.01 0.00 0.00 96.53 0.16 76 V E E 51.58 9.44 21.19 31.39 122.62 -167.32 -109.16 142.61 31.94 68.03 0.03 13.26 17.77 0.83 0.00 0.04 0.00 67.71 0.39 77 N C S 107.28 3.56 22.57 26.43 92.48 6.55 58.12 49.63 90.03 9.96 0.01 6.94 81.46 1.06 0.00 0.01 0.00 10.41 0.13 78 P C C 17.68 22.61 10.03 31.75 117.87 -167.68 -72.52 146.61 95.55 4.43 0.03 89.75 6.11 0.14 0.01 0.02 0.00 3.34 0.63 79 T C C 58.12 5.14 20.77 26.18 120.20 -125.27 -81.49 159.25 99.75 0.20 0.05 99.13 0.66 0.03 0.03 0.00 0.00 0.06 0.08 80 P H H 88.15 6.21 15.09 22.82 91.19 -107.75 -58.13 -36.49 2.76 0.00 97.24 0.19 0.26 2.15 96.69 0.70 0.00 0.00 0.00 81 K H H 137.48 1.76 19.42 20.48 91.58 53.61 -64.84 -39.16 1.58 0.00 98.41 0.10 0.10 1.28 97.74 0.78 0.00 0.00 0.00 82 T H H 20.79 16.39 15.88 32.48 92.63 48.19 -66.44 -41.61 0.54 0.00 99.45 0.07 0.04 0.36 98.90 0.64 0.00 0.00 0.00 83 V H H 16.77 19.38 15.58 34.90 91.50 51.45 -62.64 -43.14 0.15 0.00 99.85 0.02 0.01 0.09 99.70 0.19 0.00 0.00 0.00 84 D H H 82.10 3.03 22.37 24.74 91.37 50.68 -63.69 -40.24 0.30 0.00 99.70 0.03 0.01 0.21 99.36 0.39 0.00 0.00 0.00 85 A H H 34.16 7.86 19.17 28.43 91.66 51.79 -64.69 -40.70 0.72 0.00 99.27 0.04 0.03 0.59 98.45 0.90 0.00 0.00 0.00 86 L H H 11.73 22.97 14.52 37.13 92.26 52.42 -65.73 -38.28 2.17 0.01 97.82 0.10 0.10 1.86 96.21 1.72 0.00 0.00 0.00 87 M H H 80.40 12.37 17.30 29.72 91.33 57.91 -69.47 -23.33 27.93 0.10 71.97 1.13 1.11 25.75 69.37 2.49 0.04 0.04 0.06 88 K C T 152.58 1.51 20.04 20.54 94.80 57.46 -86.86 -6.66 66.16 0.26 33.58 3.39 2.66 57.94 32.94 2.81 0.01 0.12 0.14 89 L C C 43.01 17.43 9.73 26.60 117.10 104.28 -79.50 140.94 94.31 2.78 2.92 60.57 29.72 3.99 2.40 0.72 0.00 1.25 1.35 90 D C C 117.52 1.58 20.64 21.59 110.18 -131.59 -90.76 114.20 92.70 6.85 0.45 89.73 2.28 1.01 0.24 0.16 0.00 3.98 2.61 91 L C C 38.04 21.30 9.55 29.13 120.21 -167.11 -99.38 138.27 95.26 4.70 0.04 91.54 4.17 0.07 0.02 0.01 0.00 2.11 2.09 92 P C C 52.70 7.50 16.09 25.26 116.35 -107.32 -65.51 154.14 99.06 0.77 0.17 97.71 1.07 0.46 0.03 0.08 0.00 0.40 0.24 93 S C T 91.00 2.14 15.70 18.87 111.00 -86.69 -63.16 138.83 98.48 0.68 0.84 1.20 6.60 90.79 0.07 0.69 0.00 0.43 0.22 94 G C T 50.22 3.24 16.91 20.98 96.26 24.57 85.74 -4.42 98.25 1.15 0.61 2.42 6.02 89.80 0.03 0.61 0.00 1.01 0.10 95 V C C 25.69 19.26 9.78 28.63 119.44 117.75 -98.69 133.20 67.54 32.30 0.16 61.14 5.15 0.37 0.03 0.15 0.00 31.93 1.23 96 N E E 96.95 3.79 22.50 26.52 115.11 -150.98 -103.23 124.18 24.14 75.79 0.07 23.10 0.77 0.12 0.01 0.04 0.00 75.45 0.50 97 I E E 31.97 22.25 11.29 32.55 124.61 -170.32 -122.21 135.31 10.90 89.09 0.01 10.78 0.16 0.01 0.00 0.00 0.00 88.90 0.15 98 E E E 104.65 4.16 22.88 27.44 123.13 -168.24 -118.70 135.16 4.41 95.59 0.01 4.41 0.07 0.01 0.00 0.00 0.00 95.41 0.09 99 I E E 47.46 19.45 11.23 29.74 121.23 -162.22 -115.57 131.01 6.08 93.91 0.01 6.23 0.08 0.01 0.00 0.00 0.00 93.49 0.19 100 K E E 121.04 3.73 17.71 22.65 122.41 -168.85 -118.88 136.80 15.73 84.26 0.02 15.93 0.16 0.02 0.00 0.01 0.00 83.32 0.56 101 L C C 88.10 10.82 12.95 24.30 114.34 -135.85 -89.44 130.28 97.36 2.64 0.00 97.44 0.06 0.00 0.00 0.00 0.00 2.46 0.02