# 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 118.00 5.43 11.79 18.49 113.87 -161.14 -96.13 126.94 99.75 0.21 0.04 99.62 0.15 0.06 0.02 0.00 0.00 0.11 0.03 1 M C C 120.52 4.45 8.73 14.83 114.24 -145.97 -90.73 132.97 86.98 8.75 4.27 84.15 1.40 2.02 2.91 0.94 0.00 5.56 3.02 2 A C C 78.73 2.85 9.19 13.72 113.01 -122.22 -80.72 138.76 81.97 10.80 7.23 69.40 8.11 3.92 4.85 2.56 0.00 8.21 2.94 3 V C C 103.50 4.16 8.29 14.28 113.63 -128.32 -87.42 135.10 79.97 10.75 9.28 66.97 8.44 3.84 6.66 3.09 0.01 7.66 3.34 4 K C C 135.45 3.35 9.19 14.31 113.40 -140.40 -90.23 134.07 81.30 7.30 11.39 67.12 9.51 4.16 8.79 3.14 0.01 4.67 2.61 5 K C C 147.40 2.70 9.39 13.71 104.62 -145.50 -84.41 44.87 78.41 3.46 18.14 57.32 13.28 7.35 14.18 4.54 0.00 2.05 1.27 6 S C C 76.30 3.41 9.28 14.28 107.50 55.99 -84.31 114.60 77.36 2.12 20.53 53.82 13.53 9.81 14.99 5.78 0.01 1.15 0.91 7 R C C 155.87 3.21 9.61 14.41 109.03 57.38 -87.16 110.34 74.86 2.86 22.29 52.82 12.20 9.54 16.58 6.04 0.01 1.52 1.29 8 K C C 131.39 4.04 9.68 15.45 111.20 -136.33 -88.50 125.24 76.77 3.11 20.12 54.87 13.34 8.14 15.88 4.72 0.01 1.62 1.43 9 R C C 149.53 3.81 10.15 15.64 112.55 -136.12 -91.17 132.27 76.42 2.80 20.78 53.92 15.79 6.32 17.66 3.61 0.00 1.33 1.36 10 T C C 87.25 4.13 10.63 16.33 112.28 -131.41 -87.88 139.10 75.08 1.80 23.11 56.35 10.80 7.37 19.65 4.07 0.00 0.90 0.86 11 A C C 68.63 4.68 10.44 16.70 108.59 -112.53 -74.81 131.27 70.53 1.32 28.15 51.88 10.42 8.06 22.97 5.37 0.00 0.63 0.66 12 A C C 67.23 5.39 9.95 16.86 107.86 -114.95 -80.47 110.80 67.73 1.38 30.89 51.00 9.14 7.81 23.36 7.34 0.00 0.68 0.67 13 T C C 93.95 3.34 10.71 15.62 107.11 -128.25 -85.58 70.88 68.54 1.62 29.84 49.93 9.92 8.71 21.23 8.59 0.00 0.82 0.78 14 E C C 132.33 3.00 11.27 15.73 105.84 58.88 -86.01 75.77 73.45 1.60 24.95 52.70 11.64 9.01 17.07 7.94 0.00 0.78 0.85 15 L C C 96.31 6.85 8.74 16.98 110.09 106.29 -85.68 123.92 82.26 1.56 16.18 60.85 12.70 8.63 10.81 5.33 0.00 0.74 0.94 16 K C C 143.94 2.84 11.64 16.00 110.58 -159.41 -90.93 124.85 90.88 1.59 7.53 68.04 17.12 5.57 4.84 2.57 0.00 0.67 1.20 17 K C C 131.95 4.04 11.15 17.10 116.09 -112.60 -91.30 134.46 97.00 0.85 2.15 77.36 18.02 1.63 1.46 0.67 0.00 0.35 0.52 18 P C C 79.22 7.52 10.36 19.43 112.34 -108.40 -66.94 146.45 95.66 0.99 3.35 80.44 9.31 5.95 1.22 2.01 0.00 0.50 0.56 19 R C C 153.44 4.40 13.17 19.15 112.22 -126.92 -85.83 132.42 94.53 2.06 3.41 77.80 11.19 5.38 1.29 2.03 0.00 0.94 1.38 20 R C C 144.01 5.17 15.74 22.39 116.05 -110.07 -87.52 139.60 93.64 3.72 2.64 74.96 15.93 2.27 1.54 1.09 0.00 1.41 2.81 21 N C C 33.28 15.77 12.57 28.58 110.64 -118.16 -80.05 126.26 96.21 2.06 1.73 86.93 8.37 0.71 1.48 0.28 0.00 0.61 1.62 22 Q H H 69.30 8.36 19.65 29.35 93.21 -141.11 -64.25 -33.67 6.46 0.07 93.47 1.32 1.26 4.29 90.12 2.89 0.06 0.03 0.04 23 L H H 11.00 21.22 13.50 34.65 92.24 53.20 -65.32 -41.03 4.66 0.04 95.30 0.51 0.50 3.65 90.27 5.00 0.03 0.02 0.01 24 E H H 94.73 8.69 16.42 25.86 92.34 50.72 -65.02 -39.66 2.68 0.02 97.30 0.31 0.25 2.02 91.29 6.09 0.01 0.01 0.00 25 A H H 77.40 2.55 16.64 19.78 91.09 55.16 -66.43 -28.49 6.95 0.03 93.02 0.46 0.50 5.84 86.85 6.30 0.02 0.01 0.01 26 L C T 70.35 10.02 13.28 24.41 93.65 54.30 -84.38 -4.63 62.64 0.08 37.29 0.70 1.71 61.16 32.24 4.05 0.02 0.03 0.09 27 G C T 53.13 2.15 19.57 21.34 95.96 -113.93 78.05 19.00 99.31 0.02 0.67 2.65 1.45 95.47 0.30 0.12 0.00 0.01 0.01 28 V C C 28.90 18.50 8.96 26.67 112.67 151.57 -90.90 124.48 96.57 1.95 1.48 94.07 1.86 0.91 0.44 0.76 0.00 0.83 1.14 29 T C C 98.89 2.90 19.31 22.99 101.79 175.03 -103.76 -14.92 96.89 1.70 1.41 56.38 36.59 3.84 0.22 1.44 0.00 0.93 0.59 30 T C C 75.79 5.61 21.07 27.66 127.23 42.22 -128.32 140.62 88.16 10.48 1.35 58.17 25.84 4.44 0.24 1.46 0.00 5.99 3.86 31 I C C 19.20 22.77 12.25 34.50 123.66 -168.92 -120.67 132.99 88.03 11.66 0.31 85.13 3.03 0.25 0.11 0.18 0.00 5.86 5.44 32 D C C 62.70 6.40 23.33 29.94 112.02 -155.07 -103.06 117.31 97.53 2.32 0.14 96.98 0.84 0.14 0.04 0.06 0.00 1.06 0.88 33 Y C T 56.74 19.68 13.03 32.24 92.84 -154.85 -67.43 -19.23 92.93 0.11 6.95 1.03 3.91 87.50 0.31 7.14 0.00 0.06 0.05 34 K C T 137.71 3.77 18.95 23.56 92.16 64.27 -80.76 -11.26 93.29 0.11 6.60 0.89 4.31 87.61 0.28 6.81 0.00 0.05 0.04 35 D C C 61.57 8.31 15.57 25.34 105.98 77.15 -102.07 92.51 94.13 1.62 4.26 81.79 9.49 2.04 1.16 3.50 0.00 0.54 1.49 36 V H H 57.74 14.81 12.91 27.88 93.86 174.84 -64.70 -34.43 3.98 0.03 96.00 1.07 0.60 2.27 91.86 4.17 0.01 0.01 0.01 37 A H H 71.17 2.22 20.21 21.86 91.43 58.66 -63.30 -39.35 1.63 0.01 98.37 0.11 0.13 1.37 93.30 5.08 0.00 0.00 0.00 38 V H H 31.84 11.94 17.76 30.88 92.33 49.47 -65.93 -41.04 0.92 0.01 99.07 0.08 0.07 0.74 94.23 4.88 0.00 0.00 0.00 39 L H H 4.56 25.33 13.73 39.25 91.40 52.29 -63.91 -40.75 1.06 0.01 98.93 0.10 0.08 0.78 94.33 4.70 0.00 0.00 0.00 40 R H H 120.64 9.54 20.73 30.63 91.09 55.92 -64.72 -32.91 6.02 0.03 93.95 0.36 0.33 4.94 73.37 20.94 0.02 0.02 0.01 41 T H H 76.78 4.94 23.83 28.93 91.68 56.45 -70.87 -26.27 22.49 0.05 77.46 0.45 0.83 21.43 56.18 20.99 0.05 0.03 0.04 42 F H H 15.12 21.29 16.68 38.41 96.41 48.06 -94.03 -8.89 39.02 0.21 60.76 1.40 2.65 33.45 43.13 19.00 0.09 0.11 0.17 43 L E B 24.90 19.75 13.98 33.68 121.92 88.94 -95.31 142.37 7.27 92.43 0.31 3.49 1.13 0.04 0.27 0.02 0.00 6.97 88.08 44 S C C 31.36 9.08 14.92 25.78 123.87 -130.45 -79.56 173.40 96.61 3.25 0.15 96.77 0.40 0.14 0.04 0.05 0.00 1.90 0.70 45 E C T 162.16 1.58 14.91 17.04 90.67 -88.94 -64.34 -20.84 98.31 0.72 0.96 0.52 4.27 93.71 0.07 0.81 0.00 0.45 0.16 46 R C T 159.81 1.94 17.10 18.79 93.28 54.88 -88.45 2.52 98.70 0.16 1.14 0.25 3.72 94.76 0.04 1.10 0.00 0.08 0.05 47 G C S 16.80 16.20 13.10 29.29 95.89 -105.78 82.06 9.53 99.04 0.40 0.56 9.27 87.94 2.00 0.04 0.42 0.00 0.16 0.17 48 K C C 96.62 5.75 22.30 28.91 122.04 132.50 -92.76 147.15 93.43 6.41 0.16 75.12 18.12 0.34 0.08 0.08 0.00 2.86 3.42 49 I E B 21.42 22.21 14.59 36.75 113.01 -110.60 -79.16 131.22 12.19 87.60 0.21 8.51 0.98 0.06 0.20 0.02 0.00 12.50 77.73 50 R C C 68.82 12.70 18.80 32.05 115.51 -125.17 -78.75 142.37 92.74 6.88 0.38 90.76 2.34 0.25 0.28 0.11 0.00 4.97 1.29 51 S C C 38.07 9.53 19.19 29.52 118.13 -114.22 -77.51 153.67 94.38 2.57 3.05 89.93 3.44 0.71 2.95 0.32 0.00 1.03 1.62 52 R H H 111.45 12.79 13.29 26.19 92.41 -115.16 -61.10 -31.77 15.70 0.20 84.10 2.09 2.85 11.48 75.92 7.30 0.15 0.08 0.13 53 H H H 148.74 1.71 17.20 18.96 92.19 59.67 -68.49 -31.38 15.60 0.23 84.18 1.49 2.02 12.20 74.24 9.53 0.28 0.12 0.12 54 V H H 79.00 6.98 16.04 23.95 98.42 41.64 -87.49 -30.32 18.10 0.33 81.57 1.82 3.11 13.63 72.91 7.76 0.41 0.15 0.21 55 T H H 25.55 17.95 11.93 29.10 101.64 44.75 -95.79 -15.71 29.03 0.66 70.31 6.24 9.34 15.77 65.47 2.25 0.22 0.23 0.49 56 G C C 49.94 3.29 21.79 25.11 95.87 -122.61 76.59 13.98 98.45 0.71 0.83 60.58 17.07 20.94 0.34 0.39 0.00 0.35 0.33 57 L C C 21.09 20.70 9.09 28.86 120.27 137.46 -82.05 146.93 96.74 3.05 0.20 81.98 13.64 0.26 0.14 0.06 0.00 0.77 3.16 58 T C C 64.08 3.59 19.82 23.29 118.85 -111.73 -73.30 159.99 99.58 0.35 0.07 98.90 0.73 0.04 0.04 0.01 0.00 0.10 0.18 59 P H H 88.88 5.84 14.76 22.27 91.03 -106.97 -57.33 -38.27 1.73 0.00 98.26 0.32 0.20 1.03 97.94 0.51 0.00 0.00 0.00 60 Q H H 118.69 1.79 19.76 20.72 91.42 52.84 -64.06 -40.02 0.86 0.00 99.14 0.10 0.06 0.60 98.69 0.55 0.00 0.00 0.00 61 Q H H 44.56 13.45 17.35 31.21 92.36 47.97 -66.72 -39.82 0.35 0.00 99.65 0.05 0.02 0.22 99.25 0.46 0.00 0.00 0.00 62 Q H H 31.70 18.75 16.05 34.31 91.43 52.85 -62.07 -42.60 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 63 R H H 134.64 3.38 24.01 27.33 91.29 50.51 -63.80 -41.21 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.01 0.00 0.00 0.00 64 Q H H 77.76 7.25 23.95 31.41 91.61 49.63 -64.97 -41.36 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 65 V H H 5.62 23.83 19.14 42.95 91.68 49.38 -64.64 -42.65 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 66 A H H 23.23 14.53 22.67 37.19 91.38 51.19 -62.65 -42.42 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 67 T H H 69.03 3.28 27.02 29.80 91.43 49.47 -64.19 -42.04 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 68 A H H 14.78 14.65 22.01 37.29 91.53 50.48 -64.17 -42.84 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 69 I H H 10.39 22.64 20.07 42.16 91.70 49.50 -63.97 -43.06 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 70 K H H 95.00 7.50 24.72 32.54 91.48 50.65 -62.97 -42.01 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 71 N H H 70.55 4.74 24.10 28.85 91.66 49.09 -64.58 -41.80 0.25 0.00 99.75 0.02 0.01 0.18 99.75 0.05 0.00 0.00 0.00 72 A H H 9.33 16.40 17.02 34.58 91.65 51.07 -63.65 -42.38 0.26 0.00 99.74 0.02 0.01 0.18 99.63 0.15 0.00 0.00 0.00 73 R H H 81.98 12.12 17.95 30.27 92.05 50.64 -63.99 -41.48 0.40 0.00 99.59 0.03 0.02 0.30 99.41 0.23 0.00 0.00 0.00 74 E H H 115.69 3.06 18.69 22.04 92.06 49.82 -65.53 -38.63 1.03 0.00 98.97 0.05 0.04 0.88 98.74 0.29 0.00 0.00 0.00 75 M H H 97.00 5.58 15.57 22.19 93.30 51.04 -75.85 -22.09 7.37 0.01 92.63 0.16 0.23 7.30 91.76 0.54 0.01 0.00 0.00 76 A C T 63.62 7.66 14.86 23.15 97.23 -31.48 -72.63 -5.97 61.12 0.05 38.83 0.55 1.48 58.13 38.88 0.89 0.01 0.01 0.04 77 L C T 100.15 5.26 15.07 21.43 98.00 63.94 -85.90 -7.95 79.46 0.26 20.27 3.57 7.81 65.52 21.42 1.35 0.01 0.09 0.22 78 L C S 68.01 10.35 10.05 21.33 115.21 70.27 -97.02 128.52 90.04 1.73 8.23 38.49 44.14 7.76 4.23 3.47 0.00 0.66 1.25 79 P C C 93.46 3.36 13.38 18.07 105.90 -117.51 -68.54 111.15 88.82 1.23 9.95 50.58 18.21 19.78 2.85 7.34 0.00 0.61 0.63 80 M C C 126.10 4.23 11.00 16.99 106.71 61.91 -88.52 71.17 82.98 5.26 11.76 48.54 16.76 17.76 3.31 8.32 0.01 2.54 2.75 81 A C C 73.72 4.94 9.67 16.40 110.87 104.27 -91.60 111.66 88.23 4.60 7.18 59.57 16.73 11.70 2.32 4.93 0.00 2.44 2.30 82 G C C 43.22 4.31 10.12 16.22 124.78 -162.16 -115.45 168.73 95.68 3.10 1.22 57.01 34.82 4.07 0.36 0.83 0.00 1.49 1.42 83 P C C 112.54 2.00 10.50 13.86 109.64 -81.01 -74.02 138.34 98.56 0.96 0.47 94.69 1.86 2.17 0.15 0.21 0.00 0.57 0.34 84 R C C 166.85 3.32 10.09 15.28 111.12 -118.34 -84.93 127.68 99.85 0.12 0.04 99.56 0.22 0.11 0.01 0.01 0.00 0.06 0.02