# 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 97.53 7.66 12.36 20.91 111.58 -143.78 -88.33 124.19 98.98 0.43 0.60 98.56 0.31 0.26 0.48 0.06 0.00 0.20 0.13 1 A H H 65.44 4.56 11.25 17.12 101.84 -109.56 -72.51 -30.74 44.41 0.87 54.72 41.71 1.06 3.12 52.01 1.40 0.00 0.40 0.29 2 T H H 88.72 3.12 10.50 14.94 97.43 60.86 -69.55 -34.74 18.52 0.86 80.61 12.69 2.74 4.61 75.84 3.36 0.01 0.50 0.24 3 A H H 69.01 3.23 10.78 15.30 95.30 57.43 -68.83 -36.14 11.71 1.41 86.89 7.45 2.00 3.71 80.22 5.27 0.03 1.06 0.28 4 F H H 124.04 3.37 11.68 16.32 94.69 53.55 -69.45 -36.77 8.81 2.25 88.94 5.45 1.65 3.08 82.50 4.99 0.05 1.94 0.34 5 L H H 90.17 4.72 11.92 18.05 94.48 53.29 -69.59 -36.84 7.94 1.94 90.11 5.07 1.47 2.65 86.06 2.82 0.05 1.59 0.29 6 R H H 135.56 4.02 13.51 18.71 95.41 52.72 -70.87 -35.58 11.28 1.92 86.79 6.18 1.66 4.34 83.41 2.51 0.06 1.53 0.31 7 T H H 75.94 4.66 13.61 19.31 96.02 50.92 -72.53 -35.66 16.52 2.23 81.26 8.26 2.15 6.76 78.16 2.50 0.07 1.65 0.45 8 V H H 83.24 4.75 13.93 19.80 94.82 51.24 -70.12 -37.03 19.96 2.01 78.03 12.27 2.64 5.82 75.35 2.10 0.05 1.24 0.52 9 L H H 87.25 6.04 13.59 20.85 94.83 52.91 -69.57 -32.36 31.38 1.36 67.26 23.72 2.56 5.67 64.43 2.43 0.01 0.82 0.35 10 S H H 61.98 5.83 13.34 20.33 96.89 56.67 -73.18 -24.97 37.91 1.13 60.96 26.75 2.88 8.48 56.95 3.92 0.01 0.69 0.32 11 A H H 71.14 4.27 13.75 19.11 98.15 56.31 -77.81 -17.52 41.26 1.84 56.91 23.76 4.86 13.18 51.40 5.05 0.03 1.10 0.62 12 V H H 87.56 5.58 13.28 20.08 101.12 57.99 -88.63 -2.81 44.07 2.56 53.37 21.19 9.91 14.78 47.07 4.65 0.09 1.28 1.04 13 G C H 36.85 7.24 13.62 21.93 112.46 63.83 -77.26 147.23 52.81 1.83 45.36 31.55 12.25 9.94 33.05 11.58 0.02 0.94 0.67 14 P H H 81.48 5.83 14.04 20.91 103.63 -104.40 -77.17 30.11 38.67 2.47 58.86 21.46 6.10 11.05 38.36 20.66 0.03 1.70 0.63 15 L H H 90.46 7.63 13.35 22.03 106.77 58.78 -86.04 72.48 25.31 5.45 69.23 13.23 4.49 7.96 41.86 27.16 0.10 4.29 0.90 16 L H H 92.35 7.71 13.51 22.23 108.20 59.95 -87.98 95.05 26.90 8.36 64.74 14.32 5.07 8.23 40.01 24.39 0.14 6.50 1.34 17 H H H 119.39 5.83 13.44 20.55 106.67 58.73 -90.40 69.13 36.17 11.20 52.64 17.76 6.49 12.59 32.38 19.87 0.30 8.53 2.09 18 L C H 101.37 6.78 12.20 20.29 107.94 76.78 -87.47 104.40 52.52 10.02 37.47 22.42 10.77 20.36 25.97 10.64 0.40 6.66 2.79 19 G C C 47.93 5.63 13.90 20.76 114.27 -84.63 -105.71 145.83 76.63 7.06 16.32 33.67 18.35 25.18 11.35 4.94 0.06 4.43 2.02 20 G C C 44.17 6.77 14.14 22.12 118.30 -122.51 -103.06 169.43 88.17 6.85 4.98 43.33 32.52 13.03 2.44 2.37 0.01 4.15 2.14 21 R C C 138.20 6.09 15.45 22.99 117.97 -97.38 -100.61 133.76 87.95 7.48 4.56 64.18 19.94 3.87 2.96 1.85 0.00 4.59 2.61 22 P C C 68.65 11.39 13.23 25.25 112.53 -120.22 -73.34 140.26 74.24 9.38 16.38 55.58 9.49 8.44 10.20 6.82 0.01 6.23 3.23 23 L C C 92.41 8.43 15.62 24.86 116.46 -155.08 -100.29 135.02 48.47 12.69 38.84 27.53 11.47 10.68 21.38 17.00 0.28 8.11 3.56 24 S H H 57.20 9.19 14.75 24.81 115.85 -144.74 -99.01 130.97 37.13 12.11 50.76 21.63 8.23 9.05 25.35 24.49 0.17 8.98 2.12 25 T H H 69.75 9.77 14.45 24.93 113.62 -152.34 -94.18 124.72 34.81 11.56 53.63 19.22 7.30 9.56 28.15 24.88 0.14 8.94 1.80 26 F H H 120.84 7.52 14.45 23.02 111.47 -150.37 -92.48 112.52 38.93 12.76 48.31 20.03 8.68 11.63 26.92 20.57 0.38 8.91 2.87 27 A C C 63.97 7.97 13.22 22.34 113.30 -146.77 -93.08 125.52 56.60 11.04 32.36 30.65 12.86 14.21 21.42 10.30 0.28 6.82 3.46 28 A C C 74.19 5.74 13.00 20.14 111.25 -155.89 -91.28 113.83 75.32 8.59 16.09 37.03 21.27 17.78 10.40 5.54 0.10 4.95 2.93 29 G C C 41.25 6.60 13.16 21.06 124.61 132.46 -151.53 169.26 92.30 6.02 1.67 47.70 42.18 3.08 0.88 0.71 0.00 3.05 2.38 30 P C C 87.28 5.36 13.41 20.20 116.66 -79.57 -76.01 146.61 92.96 3.35 3.69 74.60 14.91 3.45 2.27 1.45 0.00 1.91 1.42 31 P C C 87.04 6.96 12.16 20.54 112.21 -105.13 -69.38 142.47 79.09 4.86 16.05 61.31 9.02 8.30 9.34 6.99 0.01 2.86 2.17 32 R C C 152.85 4.98 12.71 19.24 112.71 -138.45 -90.73 127.36 55.25 8.32 36.44 33.35 10.86 11.36 18.50 18.02 0.11 5.00 2.80 33 A C C 69.97 6.32 11.93 19.62 114.13 -135.16 -92.10 136.51 45.78 9.82 44.40 25.05 10.26 11.70 21.84 22.01 0.16 6.63 2.35 34 A H C 70.48 6.34 12.20 19.91 113.36 -139.27 -90.48 130.30 43.33 12.96 43.70 24.37 9.80 10.51 22.31 20.93 0.21 9.16 2.72 35 L C C 101.55 6.47 12.61 20.51 115.88 -150.13 -96.83 132.95 50.45 16.70 32.85 30.58 12.25 8.74 19.95 12.83 0.33 11.30 4.01 36 A C C 64.60 7.54 11.39 20.29 114.28 -127.95 -86.01 134.12 65.61 13.93 20.46 47.64 8.77 8.21 14.04 7.26 0.06 10.22 3.80 37 V C C 106.88 4.66 11.48 17.81 113.71 -147.03 -93.73 130.22 75.73 8.79 15.49 33.81 13.87 29.04 9.29 5.71 0.08 5.69 2.51 38 G C C 57.41 2.56 12.66 16.38 110.23 12.37 85.17 25.71 85.38 6.23 8.39 33.82 20.53 32.45 3.49 4.14 0.02 3.79 1.75 39 A C C 66.64 6.83 10.44 18.76 118.31 -98.90 -94.60 141.99 88.33 8.38 3.29 58.04 25.37 5.07 1.41 1.86 0.01 4.32 3.92 40 Q C C 129.05 2.94 13.10 17.76 116.57 -122.56 -88.93 136.78 93.72 5.52 0.76 71.44 21.03 1.42 0.35 0.42 0.00 3.18 2.16 41 P C C 82.65 8.09 10.37 19.83 114.08 -106.91 -68.27 147.03 93.11 4.32 2.58 79.21 10.52 3.14 1.45 1.10 0.00 2.38 2.19 42 S C C 66.54 5.98 11.96 19.44 114.33 -120.04 -83.92 140.79 88.12 2.71 9.17 74.58 9.41 3.97 6.36 2.82 0.00 1.33 1.53 43 P C C 99.55 3.73 12.80 17.85 102.39 -119.17 -68.48 7.71 59.15 2.65 38.20 39.19 9.12 10.61 24.71 13.78 0.01 1.55 1.02 44 A H C 68.23 5.73 11.91 19.01 103.96 62.40 -80.38 18.01 47.55 3.97 48.48 31.44 7.46 8.94 31.31 17.09 0.03 2.56 1.18 45 A H H 61.48 6.89 11.96 20.23 104.96 61.80 -80.57 33.25 40.76 4.67 54.57 28.78 6.25 6.50 34.46 19.67 0.03 3.22 1.08 46 A H H 68.58 5.34 13.02 19.76 106.35 56.63 -82.44 86.65 42.19 6.57 51.24 29.79 6.00 6.96 32.96 18.03 0.03 4.82 1.41 47 L H H 101.63 6.14 12.15 19.65 106.78 58.53 -82.07 74.20 44.14 11.11 44.75 27.70 7.74 9.51 29.23 15.06 0.13 7.96 2.66 48 L C C 93.61 7.90 11.16 20.23 110.13 65.80 -90.69 113.70 53.70 12.45 33.86 32.51 10.53 11.62 23.18 10.08 0.20 8.11 3.75 49 S C C 76.51 4.08 12.93 18.50 112.27 -109.59 -87.95 131.20 70.84 9.91 19.25 42.29 14.81 13.64 14.11 5.68 0.06 6.40 3.01 50 A C C 73.69 5.80 10.80 18.24 111.45 -136.23 -87.56 120.79 79.95 9.08 10.97 44.02 24.46 12.03 6.72 4.33 0.03 5.55 2.87 51 R C C 150.43 3.93 12.12 17.91 117.22 -148.75 -99.65 131.31 86.10 10.08 3.83 55.70 26.96 3.89 1.97 1.94 0.00 6.75 2.78 52 P C C 88.96 5.78 11.69 19.17 113.57 -112.99 -69.88 144.59 82.14 11.26 6.60 67.33 8.55 5.84 2.59 4.06 0.00 8.33 3.30 53 L C C 106.25 6.31 10.60 18.50 111.69 -124.23 -84.53 132.14 80.58 11.94 7.48 58.29 13.33 8.52 2.43 5.30 0.01 8.01 4.11 54 L C C 114.90 4.67 11.50 17.76 112.28 -126.97 -87.97 129.79 81.93 12.18 5.89 52.48 19.49 10.11 1.78 4.26 0.01 7.80 4.06 55 G C C 45.75 5.08 11.84 18.47 123.05 -142.93 -124.65 159.83 89.50 9.13 1.37 57.90 27.37 4.62 0.36 1.11 0.00 6.11 2.52 56 P C C 92.45 5.97 11.09 18.62 112.10 -98.21 -75.93 142.88 90.08 8.55 1.37 65.00 21.48 3.58 0.42 1.06 0.00 5.81 2.66 57 Q C C 122.02 4.01 13.00 18.80 115.64 -131.86 -95.85 129.10 87.97 10.77 1.25 69.74 16.14 2.00 0.47 0.86 0.00 7.53 3.25 58 P C C 84.04 7.50 11.44 20.31 111.50 -116.10 -68.27 143.24 75.99 13.27 10.74 53.27 10.71 11.79 2.66 8.43 0.01 10.03 3.10 59 A C C 69.15 6.70 11.42 19.47 112.08 -145.64 -93.00 131.19 66.22 19.06 14.72 37.70 14.29 15.58 3.23 11.30 0.06 13.66 4.19 60 L C C 112.51 4.97 12.71 19.18 113.51 -148.58 -96.83 126.15 65.44 20.39 14.16 28.63 17.68 22.06 2.59 10.78 0.11 14.73 3.41 61 G C C 41.86 6.22 14.03 21.38 117.93 -68.61 108.29 152.52 72.95 20.34 6.71 34.96 20.06 19.64 1.22 5.30 0.02 16.81 1.99 62 F C C 99.00 11.85 11.01 23.23 122.59 -117.41 -104.13 141.30 62.41 34.62 2.97 48.48 10.35 3.18 1.10 1.97 0.01 31.25 3.66 63 K E E 122.30 5.04 16.42 22.88 121.28 -156.75 -111.11 137.12 41.96 55.85 2.19 34.64 4.89 1.68 1.22 1.19 0.01 49.52 6.84 64 T E E 71.82 11.01 12.68 24.33 119.49 -144.22 -103.43 133.74 47.33 49.89 2.79 40.00 4.43 1.84 1.57 1.46 0.01 44.44 6.26 65 K C C 100.61 8.16 13.43 22.73 118.46 -157.14 -101.91 136.85 65.66 27.79 6.55 50.87 9.17 5.09 2.48 3.98 0.02 25.14 3.25 66 G C C 49.92 4.77 14.72 20.52 102.26 -143.41 -82.15 -17.46 75.79 15.47 8.74 36.31 29.39 11.23 2.02 6.00 0.04 13.30 1.71 67 V C C 85.60 5.74 16.24 22.84 111.15 39.45 -106.15 60.06 71.70 18.41 9.89 46.47 17.21 8.71 2.64 7.03 0.02 15.15 2.77 68 L C C 49.49 16.81 8.84 24.80 113.45 -121.03 -85.92 126.06 75.47 18.37 6.16 65.56 6.96 2.85 2.27 3.90 0.01 13.45 5.00 69 K C C 144.30 2.56 16.04 19.48 100.33 -174.40 -88.70 -31.21 85.87 10.79 3.35 58.27 23.99 4.06 0.97 2.37 0.01 7.98 2.34 70 K C C 131.25 3.06 17.05 20.97 124.80 15.42 -127.43 137.89 85.69 11.50 2.81 55.92 25.70 4.51 0.76 2.18 0.01 7.80 3.11 71 R C C 111.17 12.82 12.17 25.00 117.44 -136.24 -85.86 141.87 87.30 11.92 0.78 80.09 5.62 0.76 0.37 0.40 0.00 6.04 6.72 72 C C C 32.22 12.90 11.29 25.21 117.74 -112.45 -74.89 155.33 95.80 3.84 0.36 92.38 2.99 0.52 0.13 0.18 0.00 1.78 2.01 73 R C T 190.29 1.01 17.92 17.81 94.29 -100.66 -63.86 -24.53 97.84 1.62 0.53 1.74 15.64 80.70 0.04 0.46 0.00 1.07 0.35 74 D C T 77.02 7.80 15.26 24.17 96.35 38.50 -92.07 8.77 98.22 1.53 0.25 1.99 17.16 79.13 0.01 0.26 0.00 1.33 0.12 75 C E E 18.40 19.38 11.37 30.46 127.06 91.24 -110.57 150.31 30.16 69.81 0.04 25.87 3.39 0.13 0.00 0.03 0.00 69.91 0.66 76 Y E E 85.11 8.43 21.99 31.07 130.00 -165.51 -128.48 147.84 1.94 98.06 0.00 1.81 0.06 0.00 0.00 0.00 0.00 98.07 0.06 77 L E E 58.02 14.26 17.88 32.29 117.31 -130.04 -97.56 130.89 0.42 99.58 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 78 V E E 29.70 13.36 16.00 30.74 130.04 -176.31 -129.47 148.52 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 79 K E E 111.47 7.25 15.90 24.58 116.62 -135.00 -98.53 128.18 1.55 98.45 0.00 1.36 0.07 0.01 0.00 0.00 0.00 98.54 0.03 80 R E E 81.23 10.96 10.81 22.87 121.10 175.04 -133.15 121.60 10.38 89.48 0.14 6.74 2.30 0.98 0.01 0.14 0.00 89.45 0.37 81 R C T 191.92 1.23 13.55 14.81 93.15 -16.28 53.20 43.81 99.22 0.47 0.31 0.57 6.07 92.61 0.00 0.35 0.00 0.36 0.04 82 G C T 55.71 2.72 13.90 17.49 94.81 -48.06 80.03 2.32 99.60 0.20 0.20 0.60 6.48 92.52 0.00 0.24 0.00 0.14 0.01 83 R E E 90.41 9.07 14.95 25.44 129.10 102.49 -117.94 147.92 6.31 93.69 0.01 4.27 1.50 0.12 0.00 0.01 0.00 93.94 0.16 84 W E E 52.82 13.98 16.60 32.05 115.41 -126.86 -92.25 129.34 0.68 99.32 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.35 0.01 85 F E E 25.00 15.64 19.78 36.39 129.02 -173.17 -124.15 146.55 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 86 I E E 13.10 19.43 20.18 40.25 118.02 -142.19 -105.18 128.29 0.10 99.90 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 87 Y E E 46.75 12.58 22.38 35.91 119.21 -164.31 -110.69 129.74 2.18 97.82 0.00 1.98 0.07 0.00 0.00 0.00 0.00 97.87 0.08 88 C E E 12.25 17.36 14.24 32.76 113.82 -151.87 -100.57 120.30 37.75 62.22 0.03 36.03 1.17 0.09 0.01 0.02 0.00 62.06 0.61 89 K C S 121.58 5.46 17.72 24.50 94.43 -161.74 -72.59 -21.83 95.94 3.77 0.29 15.45 45.82 34.30 0.04 0.26 0.00 3.88 0.26 90 T C S 93.21 2.92 16.58 19.91 97.44 51.75 -86.80 -21.15 97.79 1.80 0.41 4.55 61.48 32.05 0.04 0.30 0.00 1.20 0.38 91 N C C 50.77 9.73 10.37 21.79 111.53 50.44 -122.01 97.52 97.55 2.11 0.35 71.64 25.27 0.69 0.14 0.17 0.00 0.90 1.18 92 P H G 87.56 4.64 12.77 19.61 93.13 -169.70 -62.58 -27.06 46.77 0.47 52.76 7.41 5.02 32.35 12.77 41.95 0.01 0.26 0.23 93 K H G 133.95 2.98 15.44 19.36 91.74 63.73 -71.79 -17.25 43.66 0.63 55.71 5.55 5.29 30.84 15.63 41.89 0.06 0.35 0.39 94 H H G 50.55 13.01 10.91 24.59 98.56 64.23 -87.59 5.64 38.94 2.20 58.87 19.47 7.89 12.65 16.38 41.55 0.03 1.16 0.88 95 K C C 102.19 7.45 14.03 22.74 100.75 104.59 -69.48 -21.19 54.40 3.40 42.19 31.60 9.36 13.80 22.91 18.96 0.03 1.77 1.58 96 Q C C 99.45 6.12 13.28 20.52 99.66 65.08 -76.69 -17.41 53.26 3.83 42.91 25.75 10.50 17.59 17.55 24.88 0.06 2.20 1.48 97 R C C 131.01 6.45 10.90 18.75 101.98 66.63 -80.46 1.98 56.49 3.58 39.93 31.53 10.65 15.01 14.68 24.66 0.03 2.01 1.41 98 Q C C 120.23 4.00 10.19 15.87 105.94 63.09 -83.55 49.84 72.15 2.82 25.03 56.69 3.24 13.76 11.39 11.84 0.00 1.60 1.48 99 M C C 124.53 4.46 11.45 17.39 102.23 -126.36 -80.47 31.92 99.73 0.11 0.16 99.17 0.30 0.34 0.08 0.03 0.00 0.06 0.03