# 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 123.74 4.52 10.85 17.10 116.17 -158.63 -96.70 134.23 99.90 0.08 0.02 99.86 0.06 0.03 0.01 0.00 0.00 0.03 0.01 1 S C C 79.85 3.13 9.23 14.17 116.51 -143.49 -91.50 142.12 91.49 3.46 5.05 88.08 1.14 3.41 2.07 1.97 0.00 2.05 1.27 2 A C C 80.74 3.58 8.21 13.69 110.43 -127.21 -81.50 129.77 86.54 5.38 8.08 62.33 14.07 10.28 2.39 5.55 0.00 3.68 1.70 3 K C C 157.47 1.91 10.00 13.28 110.04 -142.57 -89.56 107.51 85.05 6.65 8.29 57.64 18.37 9.24 2.57 5.61 0.00 4.03 2.53 4 A C C 72.78 4.11 10.10 16.05 117.69 -133.54 -95.57 138.43 90.59 5.05 4.36 63.91 23.70 3.08 2.07 2.09 0.00 2.48 2.66 5 A C C 66.70 5.78 11.98 19.46 116.57 -108.79 -76.99 145.32 97.75 0.96 1.29 85.05 11.77 1.12 0.68 0.48 0.00 0.48 0.42 6 P C C 54.91 11.13 9.99 22.05 113.61 -104.51 -66.67 146.52 96.07 0.84 3.09 92.22 2.50 1.85 1.62 0.98 0.00 0.38 0.44 7 K C C 153.15 2.29 14.47 17.67 98.28 -145.73 -80.09 -22.71 95.48 0.66 3.85 46.20 45.49 3.92 2.64 1.03 0.00 0.20 0.52 8 T C S 66.24 3.53 14.57 18.96 128.24 26.10 -121.92 162.50 88.51 4.03 7.46 21.28 65.04 2.03 7.07 0.59 0.01 0.69 3.29 9 L H H 101.99 5.56 12.33 19.32 92.78 -109.71 -60.82 -37.33 5.02 0.03 94.95 1.15 1.05 2.91 92.96 1.89 0.02 0.01 0.02 10 H H H 115.70 3.43 15.16 19.54 92.64 53.58 -65.65 -38.72 3.03 0.02 96.95 0.52 0.35 2.10 94.66 2.35 0.01 0.01 0.01 11 Q H H 77.88 5.78 15.48 22.63 92.66 50.85 -66.44 -39.83 1.39 0.01 98.59 0.31 0.16 0.87 96.47 2.17 0.00 0.01 0.00 12 V H H 57.23 7.44 15.49 24.26 92.44 50.07 -65.07 -42.05 1.12 0.01 98.87 0.31 0.14 0.63 98.20 0.72 0.00 0.01 0.00 13 R H H 112.67 5.48 18.54 24.74 92.18 50.23 -64.66 -41.13 1.49 0.01 98.49 0.38 0.15 0.89 98.30 0.27 0.00 0.01 0.00 14 N H H 65.53 6.07 18.16 25.22 92.32 49.98 -65.32 -41.11 1.60 0.01 98.39 0.38 0.15 0.98 98.28 0.20 0.00 0.00 0.00 15 V H H 63.87 6.16 18.93 25.87 92.13 49.86 -65.22 -41.91 0.61 0.00 99.39 0.14 0.05 0.37 99.35 0.10 0.00 0.00 0.00 16 A H H 43.37 6.33 18.74 26.04 91.81 50.50 -64.24 -41.85 0.41 0.00 99.59 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 17 Y H H 101.17 7.06 19.04 26.74 92.14 49.71 -64.72 -41.52 0.35 0.00 99.65 0.05 0.02 0.23 99.65 0.05 0.00 0.00 0.00 18 F H H 94.43 6.31 19.22 26.26 91.95 49.55 -64.79 -42.42 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 19 F H H 103.98 4.62 20.68 25.27 92.12 49.06 -64.95 -41.92 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 20 A H H 42.94 6.26 19.14 26.40 91.73 50.29 -64.32 -41.82 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.02 0.00 0.00 0.00 21 A H H 37.19 8.29 17.92 27.45 91.82 50.58 -64.00 -42.25 0.24 0.00 99.76 0.01 0.01 0.18 99.76 0.04 0.00 0.00 0.00 22 W H H 120.21 4.90 19.84 25.04 91.94 49.53 -64.33 -41.68 0.55 0.00 99.45 0.03 0.02 0.42 99.44 0.09 0.00 0.00 0.00 23 L H H 74.44 4.12 19.06 23.53 91.81 49.71 -64.25 -41.58 0.78 0.00 99.21 0.06 0.04 0.58 99.10 0.21 0.00 0.00 0.00 24 G H H 20.09 7.27 15.04 24.47 91.87 51.14 -63.87 -41.30 2.33 0.01 97.67 0.27 0.17 1.69 97.25 0.62 0.00 0.00 0.00 25 V H H 72.37 6.19 14.95 22.34 92.18 49.43 -65.82 -40.35 3.22 0.02 96.76 0.40 0.29 2.40 95.83 1.04 0.02 0.01 0.01 26 Q H H 120.44 2.34 15.74 18.42 92.58 50.54 -68.10 -34.23 8.05 0.03 91.92 0.63 0.67 6.61 91.04 1.00 0.02 0.01 0.02 27 K C T 131.73 2.37 14.73 17.44 95.84 45.00 -85.19 -8.77 56.97 0.10 42.93 1.39 2.94 50.86 43.23 1.43 0.03 0.03 0.08 28 G C T 37.39 4.86 14.09 20.35 102.44 -98.09 81.34 7.08 78.88 0.20 20.92 9.57 5.38 62.26 20.77 1.83 0.01 0.08 0.11 29 Y H H 118.17 5.61 12.88 19.93 95.49 77.80 -67.40 -35.67 38.28 0.68 61.04 26.67 5.80 6.92 55.38 4.62 0.01 0.31 0.31 30 I H H 97.18 4.38 14.51 19.95 94.07 54.64 -67.68 -38.45 23.64 1.06 75.30 14.43 4.63 6.57 66.84 6.54 0.03 0.65 0.32 31 E H H 101.19 4.41 14.80 20.29 93.76 51.57 -67.69 -37.91 18.19 1.15 80.66 10.59 3.42 5.84 70.81 8.19 0.04 0.81 0.29 32 K H H 115.77 4.52 14.99 20.54 94.17 51.12 -69.60 -35.29 18.04 0.78 81.18 8.83 3.53 6.97 72.42 7.46 0.05 0.49 0.25 33 S H H 57.74 5.06 14.62 20.85 96.39 51.25 -73.49 -32.41 25.84 0.71 73.45 12.00 4.99 10.38 66.36 5.58 0.04 0.37 0.29 34 A H H 55.77 5.42 13.73 20.60 99.03 59.83 -72.35 -31.73 39.34 0.67 59.99 15.55 9.80 14.76 55.85 3.39 0.03 0.28 0.33 35 N C H 83.76 5.07 14.40 20.59 100.97 53.44 -85.80 -10.41 56.02 0.59 43.40 32.59 7.98 14.04 42.46 2.39 0.00 0.23 0.31 36 D H H 83.56 5.14 13.74 20.10 96.04 77.79 -68.61 -32.83 28.17 0.22 71.61 18.87 4.21 4.66 70.75 1.34 0.00 0.08 0.10 37 R H H 158.26 1.38 16.52 16.98 93.24 55.61 -65.42 -39.96 4.62 0.02 95.36 1.34 0.62 2.50 94.44 1.08 0.00 0.01 0.01 38 L H H 79.52 4.17 15.93 21.06 92.40 50.57 -65.48 -40.95 2.66 0.02 97.32 0.80 0.29 1.46 96.37 1.07 0.00 0.01 0.01 39 W H H 81.91 9.28 13.93 24.61 92.29 50.70 -64.41 -41.96 1.65 0.01 98.34 0.59 0.18 0.84 97.68 0.69 0.00 0.00 0.00 40 V H H 72.10 3.40 17.56 21.47 91.70 50.23 -63.68 -42.31 0.72 0.00 99.27 0.25 0.07 0.33 99.22 0.13 0.00 0.00 0.00 41 E H H 99.24 2.09 19.01 20.11 91.77 49.70 -64.40 -42.11 0.37 0.00 99.63 0.10 0.03 0.19 99.63 0.06 0.00 0.00 0.00 42 H H H 70.48 6.84 16.34 24.47 92.04 49.32 -64.65 -41.54 0.34 0.00 99.66 0.07 0.02 0.18 99.68 0.05 0.00 0.00 0.00 43 Q H H 75.81 7.21 16.35 24.74 91.83 50.94 -64.33 -40.84 0.32 0.00 99.68 0.06 0.02 0.18 99.71 0.04 0.00 0.00 0.00 44 R H H 132.75 2.03 18.83 20.02 91.82 50.26 -64.58 -41.15 0.37 0.00 99.63 0.06 0.02 0.21 99.66 0.04 0.00 0.00 0.00 45 K H H 111.61 2.63 18.41 20.74 91.92 49.63 -64.92 -41.05 0.48 0.00 99.52 0.08 0.03 0.28 99.55 0.05 0.00 0.00 0.00 46 V H H 51.49 7.52 15.48 24.38 92.20 49.65 -64.37 -42.27 0.61 0.00 99.39 0.12 0.05 0.35 99.38 0.10 0.00 0.00 0.00 47 R H H 122.25 3.44 17.65 21.65 91.93 50.05 -64.03 -41.30 1.16 0.00 98.84 0.19 0.09 0.73 98.81 0.17 0.00 0.00 0.00 48 Q H H 103.24 1.96 18.39 19.41 92.00 49.57 -65.15 -40.48 2.74 0.00 97.25 0.36 0.19 1.87 97.28 0.28 0.00 0.00 0.00 49 Q H H 80.11 4.23 16.51 21.54 91.89 50.84 -64.64 -40.78 4.57 0.01 95.43 0.78 0.46 2.92 95.48 0.35 0.00 0.00 0.00 50 N H H 71.70 4.86 16.17 22.15 92.25 50.58 -65.01 -39.97 6.32 0.01 93.66 1.74 0.57 3.54 93.79 0.34 0.00 0.00 0.01 51 V H H 77.16 2.57 16.93 19.50 91.88 50.88 -64.12 -41.89 1.61 0.00 98.38 0.53 0.17 0.76 98.33 0.21 0.00 0.00 0.00 52 E H H 104.66 2.61 17.28 19.85 91.97 50.06 -64.60 -40.93 0.82 0.00 99.18 0.25 0.07 0.40 99.11 0.17 0.00 0.00 0.00 53 R H H 122.45 4.09 16.29 21.03 92.13 50.05 -65.33 -40.89 0.80 0.00 99.19 0.18 0.07 0.45 99.14 0.16 0.00 0.00 0.00 54 Q H H 99.42 2.75 17.20 20.03 92.04 50.07 -64.84 -41.08 0.85 0.00 99.15 0.16 0.07 0.50 99.14 0.13 0.00 0.00 0.00 55 Q H H 102.33 2.18 18.04 19.67 91.98 49.88 -64.63 -40.72 1.54 0.00 98.45 0.29 0.13 0.93 98.48 0.15 0.00 0.00 0.00 56 A H H 47.12 4.30 16.10 21.46 91.95 50.74 -64.14 -40.92 1.84 0.00 98.16 0.45 0.16 1.00 98.21 0.18 0.00 0.00 0.00 57 L H H 76.95 3.54 17.04 21.26 91.93 50.37 -64.30 -41.00 0.96 0.00 99.03 0.23 0.08 0.50 99.07 0.12 0.00 0.00 0.00 58 D H H 77.83 2.50 18.04 20.24 91.80 50.64 -64.15 -40.66 0.97 0.00 99.03 0.22 0.08 0.51 99.07 0.12 0.00 0.00 0.00 59 S H H 50.16 3.66 15.85 20.52 91.87 51.21 -64.01 -40.79 0.93 0.00 99.07 0.17 0.06 0.51 99.14 0.11 0.00 0.00 0.00 60 I H H 84.77 3.33 15.90 19.82 91.95 50.56 -64.81 -40.82 0.84 0.00 99.16 0.16 0.06 0.45 99.21 0.12 0.00 0.00 0.00 61 K H H 110.83 2.11 15.99 17.93 92.06 50.81 -63.86 -41.13 1.05 0.00 98.94 0.18 0.09 0.61 98.88 0.24 0.00 0.00 0.00 62 L H H 80.32 2.76 13.51 17.30 92.00 50.54 -64.57 -40.75 1.96 0.01 98.03 0.32 0.16 1.28 97.55 0.67 0.00 0.00 0.00 63 M H H 104.11 3.13 11.97 16.39 92.27 51.04 -65.38 -38.95 3.48 0.01 96.50 0.47 0.25 2.50 95.14 1.62 0.00 0.01 0.00 64 Q H H 135.56 1.34 12.01 13.78 91.75 52.95 -68.31 -29.11 14.12 0.03 85.85 0.86 0.84 12.17 84.53 1.55 0.02 0.01 0.02 65 Q C T 129.79 1.49 11.20 13.10 95.31 53.27 -84.77 -4.68 65.87 0.10 34.03 2.28 4.74 56.55 34.48 1.82 0.01 0.03 0.09 66 G C T 61.99 1.14 11.86 13.37 98.39 -110.07 73.07 20.56 96.40 0.16 3.45 18.86 7.43 70.47 2.30 0.78 0.00 0.07 0.08 67 V C C 85.03 4.99 8.44 15.49 115.45 150.46 -93.13 135.62 95.22 2.12 2.66 84.82 7.94 2.63 1.29 1.16 0.00 1.14 1.03 68 R C C 169.22 2.09 12.46 15.82 114.40 -130.25 -85.95 137.27 90.87 6.47 2.66 83.66 4.74 2.56 1.18 1.31 0.00 4.17 2.38 69 A C C 67.54 7.22 9.23 17.85 112.87 -140.64 -88.92 130.79 87.77 9.70 2.53 71.64 12.13 3.77 1.00 1.55 0.00 6.07 3.83 70 T C C 93.85 3.77 11.17 16.68 115.98 -162.64 -103.22 130.39 87.28 10.97 1.75 60.71 23.18 3.47 0.72 1.09 0.00 6.44 4.40 71 T C C 81.63 4.58 9.63 16.08 116.66 -136.22 -99.10 131.97 94.15 4.69 1.16 70.61 20.97 2.74 0.39 0.75 0.00 3.09 1.45 72 P C C 104.25 2.86 10.37 14.96 107.17 -108.37 -65.97 138.18 89.68 1.13 9.19 37.55 15.10 37.54 2.31 6.38 0.00 0.59 0.51 73 G C T 57.46 2.01 11.91 14.84 102.88 24.65 69.28 -16.67 84.31 1.53 14.17 28.94 18.20 37.88 3.52 9.92 0.00 0.74 0.79 74 Q C C 120.01 3.47 11.35 16.31 105.77 60.51 -87.02 44.94 75.42 5.78 18.80 45.83 16.25 13.40 5.24 13.58 0.01 3.19 2.50 75 L C C 79.32 10.36 8.08 18.58 103.61 77.62 -89.97 25.02 75.32 8.49 16.19 56.34 8.89 9.67 5.24 11.20 0.01 5.30 3.34 76 E C T 142.37 2.38 12.44 16.49 111.31 138.29 -79.22 128.49 83.76 6.37 9.87 27.21 15.46 42.27 3.19 5.93 0.02 3.86 2.06 77 G C T 60.34 1.52 14.76 16.29 97.85 16.47 81.89 0.30 90.16 4.04 5.80 20.82 24.61 45.57 1.34 4.05 0.00 2.52 1.08 78 V C S 48.53 13.47 7.76 21.13 117.44 124.55 -86.60 137.65 94.51 5.02 0.47 45.74 48.92 0.62 0.29 0.14 0.00 2.28 2.01 79 P C C 59.36 5.65 13.64 21.13 112.91 -103.41 -64.62 146.52 97.37 1.74 0.90 96.30 1.15 0.31 0.72 0.10 0.00 0.80 0.63 80 A H H 79.68 2.56 13.46 17.29 92.65 -119.87 -58.94 -38.12 3.76 0.01 96.23 0.71 0.51 2.32 93.48 2.97 0.00 0.00 0.00 81 E H H 120.43 2.18 15.72 18.09 91.88 54.81 -65.29 -38.13 2.33 0.01 97.66 0.30 0.19 1.67 94.22 3.62 0.00 0.01 0.00 82 L H H 51.58 10.13 12.81 24.26 92.52 48.94 -66.94 -39.24 0.99 0.01 99.00 0.21 0.09 0.58 96.06 3.06 0.00 0.00 0.00 83 Q H H 71.30 7.30 14.08 22.99 91.49 52.69 -62.96 -41.09 0.45 0.00 99.55 0.10 0.04 0.21 99.29 0.35 0.00 0.00 0.00 84 Q H H 106.47 1.77 18.17 18.92 92.01 50.84 -64.81 -41.00 0.49 0.00 99.51 0.08 0.03 0.28 99.38 0.23 0.00 0.00 0.00 85 L H H 73.33 4.64 16.13 21.84 91.98 49.90 -64.73 -42.00 0.38 0.00 99.61 0.06 0.02 0.22 99.47 0.22 0.00 0.00 0.00 86 A H H 31.71 8.68 12.95 23.54 91.70 50.61 -64.10 -41.10 0.60 0.00 99.40 0.09 0.04 0.36 99.19 0.32 0.00 0.00 0.00 87 E H H 106.69 2.69 15.16 18.44 91.98 51.29 -65.11 -38.56 2.20 0.00 97.80 0.23 0.13 1.64 97.15 0.84 0.00 0.00 0.00 88 A H H 67.39 2.15 13.22 15.94 92.28 53.75 -66.56 -33.77 9.66 0.01 90.33 0.57 0.47 8.22 89.34 1.39 0.01 0.00 0.01 89 F H H 124.13 4.64 10.57 16.54 95.56 52.36 -76.97 -21.52 27.13 0.12 72.76 3.78 2.65 20.26 71.40 1.76 0.02 0.04 0.08 90 T C H 88.90 4.16 9.22 15.04 100.65 66.72 -84.53 -0.16 58.44 0.61 40.95 32.65 1.80 22.10 41.43 1.40 0.00 0.21 0.41 91 K C C 149.69 2.43 11.53 15.51 106.76 116.97 -78.50 108.19 99.97 0.01 0.01 99.90 0.04 0.04 0.01 0.00 0.00 0.00 0.00