# 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 103.09 8.37 11.93 21.25 116.25 -159.55 -94.47 131.38 99.79 0.18 0.03 99.71 0.10 0.05 0.01 0.00 0.00 0.10 0.02 1 A C C 73.22 4.13 11.92 17.72 117.48 -164.58 -102.36 136.58 85.76 11.25 2.99 81.92 1.25 2.92 1.19 1.11 0.00 10.00 1.62 2 Y C C 127.86 7.95 9.12 18.35 118.10 -152.56 -100.50 134.93 73.55 22.16 4.28 55.60 11.48 6.04 1.64 2.68 0.01 19.44 3.10 3 V C C 89.57 4.71 11.53 18.11 120.34 -162.00 -110.22 137.17 71.28 25.15 3.57 58.86 8.05 3.39 1.68 1.94 0.01 22.21 3.87 4 K C C 131.12 5.12 9.92 16.92 114.19 -134.60 -90.35 133.24 75.86 20.22 3.92 59.44 11.10 4.50 1.88 2.10 0.00 17.71 3.27 5 K C C 129.44 4.17 10.19 16.10 114.43 -160.35 -97.55 138.19 86.98 9.16 3.85 60.65 18.05 8.32 1.34 2.43 0.00 7.47 1.75 6 D C C 116.54 2.14 10.57 14.07 107.26 -108.67 -82.74 97.23 93.30 3.40 3.30 44.79 27.53 21.35 0.82 2.38 0.00 2.33 0.81 7 Q C C 127.52 3.21 9.89 14.78 109.17 69.70 -91.72 98.82 93.97 2.88 3.14 43.88 33.05 17.32 0.79 2.30 0.00 1.62 1.04 8 A C C 64.81 5.23 9.68 16.67 117.85 -122.19 -91.99 141.13 95.42 2.47 2.12 55.28 37.33 3.19 0.78 1.17 0.00 1.29 0.94 9 P C C 82.92 5.48 11.05 18.23 112.81 -102.91 -67.62 148.17 84.61 2.53 12.85 58.10 11.31 14.97 3.24 9.92 0.00 1.70 0.76 10 A C C 75.94 4.46 11.95 17.99 107.13 -114.59 -79.92 129.82 73.35 7.46 19.19 45.11 14.03 14.56 4.73 14.57 0.02 5.27 1.72 11 L C C 83.09 9.18 11.58 21.77 116.17 -130.34 -98.25 138.79 65.43 14.38 20.20 45.18 12.83 8.24 5.57 14.21 0.02 12.02 1.94 12 E C C 112.43 5.94 15.67 22.77 112.72 -139.56 -90.92 126.52 60.08 24.98 14.94 43.42 10.30 6.90 4.78 9.55 0.02 22.97 2.06 13 M C E 73.31 12.76 14.30 27.35 120.62 -157.93 -107.92 136.21 50.90 43.63 5.46 40.46 7.47 3.24 2.23 2.94 0.01 41.93 1.72 14 Q E E 50.84 13.58 17.12 31.24 122.14 -164.33 -114.21 136.98 32.04 65.93 2.03 25.45 5.65 1.78 0.77 1.08 0.00 64.35 0.93 15 R E E 95.78 11.49 20.55 32.18 124.40 -157.38 -119.34 135.75 16.47 83.00 0.53 14.28 1.92 0.38 0.20 0.23 0.00 82.46 0.53 16 V E E 11.57 21.54 17.10 38.87 122.39 -166.38 -118.52 131.85 6.49 93.40 0.11 6.14 0.30 0.05 0.05 0.03 0.00 93.22 0.20 17 L E E 54.59 10.06 24.62 35.25 116.76 -157.97 -109.19 125.35 3.77 96.20 0.04 3.52 0.15 0.02 0.01 0.01 0.00 96.22 0.07 18 V E E 6.92 24.15 17.43 42.03 119.71 -167.33 -113.19 128.60 2.03 97.95 0.02 2.03 0.05 0.01 0.01 0.00 0.00 97.87 0.04 19 K E E 79.04 9.40 26.28 36.12 118.96 -163.86 -111.65 126.61 1.09 98.89 0.01 1.06 0.03 0.00 0.00 0.00 0.00 98.86 0.03 20 M E E 6.59 25.06 17.57 43.05 124.34 -170.90 -118.59 137.23 1.61 98.37 0.01 1.60 0.04 0.01 0.01 0.00 0.00 98.30 0.05 21 T E E 48.37 9.89 26.20 36.50 127.32 -170.07 -124.06 142.77 5.39 94.59 0.03 5.07 0.26 0.03 0.01 0.01 0.00 94.41 0.21 22 S E E 10.54 20.78 14.94 35.74 138.43 165.58 -147.64 158.84 27.95 71.97 0.08 26.91 1.09 0.10 0.03 0.04 0.00 70.17 1.66 23 R C S 148.33 4.88 20.89 26.64 94.44 -134.65 -83.44 -14.29 99.09 0.87 0.04 3.02 95.42 0.88 0.01 0.02 0.00 0.57 0.08 24 N C C 70.35 7.51 19.29 27.78 110.71 67.42 -107.87 104.92 98.73 1.07 0.20 61.08 37.15 0.69 0.11 0.07 0.00 0.40 0.51 25 A H H 41.13 15.06 14.31 29.60 93.70 -167.33 -62.83 -36.56 3.02 0.01 96.96 0.68 0.50 1.67 96.05 1.09 0.00 0.00 0.00 26 K H H 135.74 1.83 22.36 23.25 91.72 54.72 -64.23 -40.73 1.69 0.01 98.31 0.19 0.15 1.26 97.21 1.18 0.00 0.00 0.00 27 A H H 23.18 10.15 18.84 30.65 91.79 49.40 -64.80 -40.88 0.89 0.01 99.10 0.18 0.07 0.55 97.89 1.30 0.00 0.00 0.00 28 V H H 4.39 24.70 14.99 39.91 91.43 51.40 -63.52 -43.25 0.29 0.00 99.71 0.07 0.02 0.13 99.65 0.13 0.00 0.00 0.00 29 E H H 86.32 10.00 22.64 32.56 91.38 51.18 -63.06 -41.55 0.09 0.00 99.91 0.01 0.00 0.04 99.92 0.01 0.00 0.00 0.00 30 R H H 132.66 2.62 25.83 27.67 91.52 49.73 -64.16 -41.70 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 31 V H H 10.74 19.33 21.22 40.56 91.32 48.82 -63.88 -43.75 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 32 V H H 6.85 23.36 20.47 43.43 91.48 49.86 -63.88 -42.75 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 33 A H H 46.27 5.63 24.66 30.63 91.19 51.40 -63.10 -42.17 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 34 E H H 72.89 7.09 24.66 32.10 91.63 49.89 -64.87 -41.71 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 35 L H H 4.50 24.27 19.69 43.91 91.61 49.84 -63.77 -43.42 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 36 L H H 32.49 16.54 20.99 37.10 91.62 50.33 -63.12 -42.30 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 37 E H H 106.03 2.23 24.95 25.52 91.57 49.62 -63.98 -41.92 0.39 0.00 99.60 0.03 0.01 0.28 99.64 0.04 0.00 0.00 0.00 38 H H H 44.58 10.11 19.82 31.23 92.01 49.19 -64.99 -41.38 0.93 0.00 99.06 0.06 0.05 0.70 99.08 0.12 0.00 0.00 0.00 39 A H H 5.44 21.11 12.80 34.23 91.61 51.29 -63.93 -41.72 1.61 0.01 98.38 0.24 0.12 1.07 98.17 0.40 0.00 0.00 0.00 40 R H H 144.30 4.09 17.45 22.83 91.74 50.75 -64.34 -40.31 2.54 0.01 97.45 0.23 0.14 1.98 96.74 0.90 0.00 0.00 0.00 41 T H H 101.28 1.58 16.94 17.94 91.54 51.71 -66.73 -30.90 7.85 0.02 92.14 0.26 0.32 7.21 91.54 0.64 0.01 0.00 0.01 42 E C T 82.62 8.95 12.87 23.18 95.42 45.44 -93.25 5.95 78.81 0.06 21.14 0.63 2.28 74.58 21.51 0.92 0.00 0.02 0.06 43 K C T 170.35 1.03 18.67 18.47 93.40 -118.23 59.12 38.96 99.75 0.01 0.24 2.41 1.35 96.09 0.09 0.04 0.00 0.01 0.00 44 V C C 20.48 20.55 8.86 28.42 118.73 153.76 -99.09 136.92 97.24 2.73 0.03 95.98 1.31 0.07 0.01 0.01 0.00 2.48 0.13 45 E E E 125.85 2.60 23.65 25.65 110.63 -127.74 -83.83 124.27 37.77 62.17 0.06 36.83 0.75 0.09 0.01 0.03 0.00 61.67 0.61 46 V E E 29.96 22.47 9.98 30.99 120.42 -165.53 -110.28 131.48 8.41 91.55 0.04 8.64 0.19 0.02 0.02 0.01 0.00 88.18 2.93 47 R E E 145.49 3.62 20.08 24.29 109.23 -172.40 -107.63 69.23 21.05 78.90 0.05 17.85 2.65 0.20 0.01 0.03 0.00 78.46 0.80 48 G E E 30.99 4.87 20.59 26.10 132.32 -43.77 114.73 -174.40 47.21 52.77 0.01 15.37 31.01 0.45 0.00 0.02 0.00 52.90 0.25 49 P C C 59.18 14.24 15.51 29.54 115.74 -50.36 -70.95 143.92 55.90 44.08 0.02 50.54 3.31 0.10 0.00 0.02 0.00 45.67 0.37 50 V E E 37.35 14.94 16.57 32.27 122.22 -159.81 -117.68 132.12 11.43 88.55 0.02 10.84 0.47 0.02 0.01 0.01 0.00 81.63 7.02 51 R E E 136.45 6.60 21.14 28.94 114.68 -129.11 -85.41 131.57 25.89 74.10 0.01 25.75 0.55 0.02 0.01 0.01 0.00 69.22 4.44 52 L C C 25.91 21.46 11.91 32.56 119.52 -139.59 -89.82 144.18 87.49 12.50 0.01 86.02 1.86 0.04 0.00 0.01 0.00 11.66 0.40 53 P C C 60.03 6.75 19.55 27.08 115.70 -103.36 -66.90 151.40 91.98 7.96 0.06 85.04 6.27 0.31 0.01 0.05 0.00 7.86 0.45 54 T C C 70.79 11.83 14.08 26.18 116.22 -123.59 -87.75 137.76 58.35 41.51 0.14 50.49 6.43 0.42 0.03 0.13 0.00 41.34 1.16 55 R E E 109.49 8.73 15.32 25.27 123.70 -153.61 -117.56 139.95 14.21 85.73 0.07 12.09 1.77 0.14 0.01 0.05 0.00 85.50 0.42 56 R E E 129.92 6.99 15.80 24.31 119.22 -145.13 -107.08 131.23 2.84 97.14 0.02 2.63 0.16 0.02 0.01 0.01 0.00 97.09 0.10 57 L E E 51.76 13.61 12.73 27.01 120.76 -163.06 -110.38 136.20 1.16 98.83 0.01 1.06 0.05 0.01 0.00 0.00 0.00 98.84 0.03 58 R E E 129.08 5.45 17.74 24.48 118.69 -157.39 -110.36 131.45 0.70 99.30 0.00 0.61 0.04 0.00 0.00 0.00 0.00 99.33 0.01 59 I E E 50.46 14.08 12.84 27.67 120.87 -163.92 -114.10 131.74 1.14 98.86 0.01 1.05 0.04 0.00 0.00 0.00 0.00 98.88 0.03 60 T E E 58.15 6.67 17.07 25.24 123.39 -167.27 -116.62 143.28 4.14 95.83 0.03 3.76 0.23 0.03 0.01 0.01 0.00 95.88 0.09 61 T E E 55.89 11.94 12.95 25.64 121.57 -156.71 -111.16 138.52 9.52 90.39 0.10 8.32 1.03 0.16 0.02 0.05 0.00 89.96 0.45 62 R E E 122.50 6.45 14.25 22.21 118.70 -144.86 -100.54 139.45 20.43 79.40 0.17 17.29 3.13 0.43 0.05 0.13 0.00 77.76 1.21 63 K C C 128.98 4.77 13.52 20.01 115.38 -126.35 -89.50 135.76 52.56 47.20 0.24 44.53 6.70 0.60 0.09 0.20 0.00 44.47 3.41 64 T C C 46.95 9.51 9.07 20.05 117.11 -119.15 -83.05 146.04 90.93 8.77 0.29 83.56 6.24 0.97 0.09 0.23 0.00 7.39 1.52 65 P C T 108.08 2.13 12.14 15.35 93.99 -124.43 -67.12 -19.83 94.57 1.65 3.78 10.15 28.12 56.09 0.35 3.67 0.00 1.14 0.48 66 C C T 87.22 3.37 9.61 14.40 99.95 59.67 -91.40 -0.91 92.43 2.37 5.20 7.96 28.40 55.98 0.54 4.70 0.00 1.34 1.07 67 G C S 49.65 2.84 10.37 14.65 109.53 -87.69 84.56 -39.76 87.99 3.22 8.80 16.58 42.78 28.61 0.89 7.95 0.00 1.63 1.55 68 N C T 125.27 1.59 10.78 13.13 103.07 52.82 -86.80 15.56 88.97 2.26 8.77 17.91 28.14 42.65 0.97 8.08 0.00 1.25 0.99 69 G C S 55.02 2.59 10.49 14.27 102.16 -74.33 81.76 3.02 86.83 4.55 8.62 25.15 31.28 30.69 0.95 7.81 0.00 2.45 1.66 70 T C C 85.73 3.45 10.49 15.67 116.78 116.33 -91.09 142.14 86.04 8.42 5.55 42.38 32.54 11.62 0.82 5.00 0.00 5.60 2.04 71 N C C 110.95 3.79 12.07 17.51 107.22 -116.48 -85.54 98.57 78.12 19.11 2.77 53.81 16.96 7.08 0.44 2.73 0.00 16.81 2.17 72 T E E 63.43 7.59 11.60 20.81 123.15 138.83 -114.58 145.59 47.61 51.72 0.68 39.62 6.05 1.29 0.19 0.57 0.00 48.80 3.48 73 W E E 114.93 9.56 12.22 23.00 119.21 -138.65 -101.66 139.76 26.70 73.12 0.18 22.41 3.28 0.63 0.04 0.15 0.00 72.12 1.37 74 D E E 73.54 7.73 15.21 24.17 116.87 -159.15 -102.79 136.22 18.55 81.37 0.07 14.71 2.89 0.40 0.01 0.06 0.00 81.67 0.25 75 T E E 68.33 8.66 15.19 24.99 122.77 -136.45 -115.70 137.90 8.21 91.77 0.02 7.32 0.56 0.05 0.00 0.02 0.00 91.89 0.17 76 F E E 49.10 13.89 13.43 28.37 127.12 -169.98 -122.02 145.24 2.77 97.22 0.00 2.58 0.07 0.00 0.00 0.00 0.00 97.27 0.06 77 E E E 98.66 6.87 18.48 26.45 119.11 -144.36 -104.89 133.92 1.58 98.42 0.00 1.42 0.04 0.00 0.00 0.00 0.00 98.51 0.03 78 M E E 42.19 16.33 14.43 30.90 127.29 -168.57 -121.83 143.53 2.02 97.98 0.00 1.83 0.05 0.00 0.00 0.00 0.00 98.10 0.02 79 K E E 80.86 9.15 19.73 29.75 117.33 -142.93 -102.01 130.71 1.37 98.63 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.70 0.02 80 I E E 34.56 15.89 17.11 33.63 120.94 -164.01 -114.63 130.36 1.68 98.32 0.00 1.49 0.07 0.00 0.00 0.00 0.00 98.38 0.04 81 Y E E 49.64 13.22 19.07 33.34 121.62 -164.17 -112.98 134.33 3.22 96.77 0.01 2.86 0.17 0.01 0.00 0.00 0.00 96.90 0.06 82 K E E 75.86 13.49 20.28 33.46 126.93 -169.26 -123.58 139.26 6.65 93.34 0.01 6.01 0.32 0.01 0.00 0.00 0.00 93.58 0.08 83 R E E 42.84 17.38 18.90 36.02 126.09 -163.86 -124.23 137.01 4.21 95.78 0.00 3.94 0.14 0.01 0.00 0.00 0.00 95.85 0.06 84 L E E 43.11 12.18 23.15 35.95 119.54 -153.65 -110.03 128.75 1.12 98.88 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.93 0.02 85 V E E 6.77 23.33 18.41 42.09 120.75 -165.96 -116.10 128.11 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.01 86 D E E 48.56 9.51 26.01 36.10 115.50 -158.48 -104.36 124.33 0.59 99.41 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.01 87 L E E 9.50 23.69 15.00 38.92 118.08 -162.33 -107.01 128.79 9.52 90.26 0.22 8.97 0.46 0.12 0.09 0.10 0.00 89.87 0.39 88 R E E 114.54 7.15 21.98 29.35 112.21 -157.99 -95.65 121.07 48.82 50.65 0.53 25.79 21.55 2.70 0.12 0.39 0.00 48.60 0.86 89 A C S 45.92 9.67 18.04 28.21 119.15 2.50 -115.85 140.84 84.41 14.89 0.69 24.99 55.01 4.11 0.18 0.44 0.00 14.43 0.83 90 S C C 49.44 11.24 15.52 27.12 107.65 -123.00 -77.26 109.85 93.11 3.09 3.80 81.65 8.15 3.62 2.32 1.27 0.00 2.23 0.75 91 T C C 55.81 9.93 14.62 25.46 119.37 141.87 -103.17 162.00 73.50 0.84 25.66 54.49 11.51 5.72 25.62 1.89 0.00 0.35 0.43 92 E H H 127.00 2.86 18.68 21.65 93.58 -103.31 -64.80 -34.14 22.25 0.30 77.45 10.21 5.36 7.39 74.76 2.01 0.02 0.12 0.14 93 L H H 36.70 14.19 16.49 31.07 92.60 54.43 -65.86 -41.15 9.45 0.23 90.32 4.28 1.54 3.86 88.21 1.88 0.02 0.14 0.07 94 V H H 16.72 20.08 14.62 34.33 92.21 51.47 -64.15 -41.83 3.39 0.15 96.46 1.46 0.51 1.52 94.58 1.77 0.01 0.12 0.02 95 K H H 109.85 5.00 20.18 25.89 91.85 52.08 -63.79 -40.12 2.38 0.11 97.51 0.84 0.33 1.25 95.39 2.07 0.01 0.10 0.02 96 K H H 103.15 5.27 20.49 26.25 92.01 50.94 -65.63 -39.87 3.56 0.17 96.27 1.00 0.43 2.16 93.23 2.99 0.02 0.16 0.02 97 I H H 15.25 21.75 15.33 36.66 92.84 49.84 -66.98 -37.95 5.10 0.23 94.67 1.08 0.60 3.35 91.17 3.53 0.03 0.19 0.04 98 T H H 47.30 15.22 16.58 31.38 92.48 57.68 -70.23 -21.64 20.78 0.46 78.75 2.31 1.88 16.16 75.73 3.37 0.11 0.30 0.15 99 S C T 80.39 2.34 20.54 22.60 95.57 57.12 -89.17 -6.21 57.68 0.99 41.34 6.20 4.45 44.76 39.00 4.53 0.09 0.57 0.41 100 F C C 59.01 16.30 10.93 27.08 117.94 106.50 -79.66 141.41 87.79 7.76 4.45 55.09 28.40 4.74 3.58 1.26 0.01 4.97 1.94 101 Q C C 131.85 2.54 20.90 23.84 113.26 -137.64 -96.92 122.77 75.97 21.92 2.11 70.00 3.09 2.26 1.25 0.79 0.00 19.19 3.42 102 I C C 32.64 21.73 10.32 30.73 123.30 -169.55 -113.72 136.97 58.37 41.17 0.46 54.32 3.01 0.25 0.39 0.16 0.00 21.21 20.67 103 E C C 103.98 4.55 20.11 24.97 119.31 -120.93 -77.69 151.66 96.45 3.44 0.11 95.89 0.88 0.17 0.03 0.03 0.00 2.45 0.54 104 A C T 70.35 6.83 15.85 24.09 110.84 -86.00 -60.89 138.14 98.18 1.24 0.58 0.92 4.28 93.38 0.06 0.36 0.00 0.81 0.18 105 G C T 42.35 4.93 18.70 24.79 96.91 24.44 88.30 -5.65 98.14 1.52 0.33 1.46 4.32 92.51 0.02 0.26 0.00 1.34 0.08 106 V C C 26.15 18.30 12.26 30.84 119.47 117.41 -98.37 136.15 57.95 41.99 0.06 53.01 3.45 0.19 0.01 0.06 0.00 42.48 0.79 107 D E E 82.73 5.60 22.81 29.14 118.55 -152.85 -106.74 130.76 9.50 90.47 0.02 9.17 0.29 0.03 0.01 0.01 0.00 90.19 0.29 108 V E E 21.17 22.74 13.26 35.56 126.25 -171.40 -124.87 137.17 3.86 96.13 0.00 3.78 0.08 0.01 0.00 0.00 0.00 96.07 0.06 109 S E E 53.77 6.04 24.93 31.33 123.16 -166.81 -117.58 136.53 2.26 97.74 0.00 2.17 0.05 0.00 0.00 0.00 0.00 97.73 0.03 110 I E E 26.56 22.60 13.72 35.81 124.99 -167.35 -122.03 134.54 2.71 97.28 0.00 2.69 0.05 0.00 0.00 0.00 0.00 97.21 0.05 111 T E E 61.74 6.39 23.60 30.43 124.46 -169.67 -122.05 137.67 4.20 95.80 0.01 4.06 0.11 0.01 0.00 0.00 0.00 95.62 0.19 112 I E E 46.12 17.01 14.04 31.00 117.32 -148.84 -102.86 127.13 26.77 73.19 0.04 25.49 0.85 0.06 0.01 0.02 0.00 73.01 0.55 113 P C C 55.31 8.95 13.91 24.39 112.55 -128.00 -74.71 149.77 62.79 35.97 1.25 48.81 8.96 3.66 0.21 1.10 0.00 36.26 1.00 114 D C C 100.94 4.36 12.92 18.88 108.80 -120.83 -87.81 108.65 84.25 12.70 3.05 51.70 20.18 12.23 0.43 2.97 0.00 11.14 1.35 115 D C C 99.99 4.99 10.00 16.71 105.35 -159.15 -88.85 57.51 90.91 6.45 2.64 80.28 2.95 7.75 0.52 1.92 0.00 5.44 1.13 116 Q C C 132.79 2.72 12.47 16.62 104.26 136.12 -84.57 34.38 99.80 0.17 0.03 99.61 0.15 0.10 0.01 0.01 0.00 0.10 0.02