# 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 D C C 75.10 6.46 18.47 25.58 104.95 -156.49 -90.66 93.86 99.78 0.06 0.17 99.66 0.10 0.09 0.11 0.01 0.00 0.02 0.02 1 I H H 64.08 14.59 12.05 26.36 94.83 170.20 -67.67 -29.08 28.43 0.14 71.42 16.29 1.11 10.26 69.56 2.63 0.00 0.07 0.08 2 E H H 127.94 2.12 17.55 19.72 92.44 55.87 -65.13 -39.06 19.72 0.13 80.15 6.51 2.31 11.12 77.00 2.93 0.01 0.05 0.07 3 H H H 99.96 4.06 18.70 23.12 92.62 48.96 -67.34 -38.44 10.71 0.08 89.21 3.45 1.49 5.97 86.43 2.56 0.01 0.04 0.03 4 G H H 6.36 19.08 13.92 33.09 92.21 52.58 -63.05 -42.61 6.19 0.05 93.76 2.19 0.77 3.06 92.89 1.05 0.00 0.03 0.01 5 E H H 74.44 11.08 18.87 30.29 91.88 52.27 -63.28 -41.54 2.10 0.04 97.86 0.90 0.27 0.90 97.49 0.41 0.00 0.02 0.01 6 Q H H 104.64 2.21 23.25 24.05 91.58 50.48 -64.14 -41.89 1.22 0.04 98.74 0.46 0.18 0.57 98.50 0.26 0.00 0.02 0.01 7 I H H 34.37 12.30 19.03 32.36 91.64 48.97 -63.91 -43.56 1.07 0.05 98.88 0.37 0.15 0.54 98.66 0.24 0.01 0.03 0.01 8 F H H 18.75 21.89 15.61 37.07 91.92 48.63 -64.73 -41.94 1.34 0.05 98.61 0.39 0.17 0.76 98.33 0.30 0.01 0.03 0.01 9 T H H 76.72 7.00 19.55 27.19 92.80 47.36 -67.29 -39.18 2.71 0.04 97.25 0.36 0.26 2.05 96.90 0.37 0.02 0.02 0.01 10 A H H 71.31 2.38 21.26 22.58 96.90 41.83 -78.02 -38.51 10.20 0.05 89.75 0.30 0.59 10.07 88.20 0.74 0.06 0.02 0.03 11 N H H 61.77 10.47 18.69 29.63 105.56 23.80 -104.33 -31.55 43.53 0.15 56.32 0.66 2.03 40.83 54.75 1.47 0.10 0.05 0.12 12 C C T 11.22 21.08 14.89 35.56 100.63 37.42 -90.87 -33.14 57.00 0.50 42.50 4.37 4.52 47.03 35.07 8.32 0.12 0.23 0.34 13 S H H 43.59 10.84 17.45 28.96 92.38 66.88 -62.95 -36.53 18.22 0.33 81.44 2.68 2.14 12.11 51.07 31.55 0.11 0.18 0.15 14 A H H 69.14 3.71 20.87 24.72 92.17 55.37 -67.56 -31.15 15.19 0.24 84.57 1.10 1.37 11.46 50.17 35.52 0.14 0.14 0.11 15 C H H 48.80 12.43 17.33 29.96 99.21 39.24 -90.55 -16.70 19.42 0.38 80.21 1.45 1.99 14.20 51.88 29.83 0.25 0.21 0.18 16 H H H 53.30 15.92 14.13 29.73 106.83 53.62 -103.61 36.28 42.71 3.38 53.91 9.19 12.09 23.05 34.53 16.59 1.00 1.42 2.13 17 A C T 63.74 6.99 16.10 23.92 104.17 -120.94 -68.61 64.76 73.98 5.10 20.92 17.31 16.94 39.68 9.08 11.34 0.15 2.40 3.10 18 G C T 53.91 3.77 15.49 20.24 97.93 -38.83 68.63 13.67 78.51 2.22 19.27 12.46 17.21 47.58 2.71 17.62 0.02 1.15 1.25 19 G C T 42.67 8.61 14.46 23.59 101.82 -54.21 78.56 1.14 78.92 1.47 19.61 15.95 22.50 38.82 1.66 19.55 0.00 0.70 0.82 20 N C S 98.74 5.75 17.44 24.02 103.80 107.55 -91.91 25.51 83.63 2.36 14.01 23.96 30.45 28.21 1.41 13.62 0.00 1.16 1.19 21 N C C 64.23 13.52 15.09 28.38 106.91 -129.53 -90.50 92.05 88.12 6.03 5.85 44.30 28.16 15.33 1.06 5.15 0.00 3.03 2.95 22 V C C 64.21 10.53 18.12 29.19 113.18 144.91 -98.51 115.98 85.64 12.66 1.70 57.40 24.30 3.82 0.62 1.13 0.00 5.82 6.90 23 I C C 58.32 14.59 15.60 30.18 111.80 74.30 -96.06 119.75 86.56 12.38 1.06 59.26 25.06 2.27 0.45 0.62 0.00 5.59 6.75 24 M C C 70.19 9.51 17.13 27.63 114.14 -145.25 -102.40 117.76 95.51 4.02 0.47 79.62 15.18 0.80 0.22 0.24 0.00 1.92 2.04 25 P C G 67.27 11.45 14.27 26.32 95.46 -130.72 -61.54 -29.87 51.56 0.89 47.55 10.80 6.89 32.32 7.15 41.93 0.01 0.49 0.42 26 E C G 133.03 3.61 18.38 22.64 94.96 55.92 -76.90 -14.06 50.08 0.67 49.25 5.79 6.60 35.67 8.49 42.69 0.02 0.36 0.39 27 K H G 90.36 10.74 17.12 28.00 103.23 53.55 -93.66 7.15 46.60 2.13 51.27 18.12 11.49 18.25 8.70 41.39 0.02 1.08 0.96 28 T C C 34.94 15.93 17.09 32.82 115.77 105.01 -97.09 140.62 77.25 6.07 16.68 51.09 17.03 8.56 10.56 5.96 0.02 2.36 4.42 29 L C C 31.61 20.24 16.76 35.96 101.86 -127.26 -84.44 27.81 83.06 6.07 10.87 61.10 15.81 5.20 8.57 2.76 0.01 2.55 4.00 30 K C C 94.68 8.65 21.21 29.95 111.68 116.24 -82.01 127.80 84.66 2.56 12.78 72.09 8.19 3.38 12.14 1.49 0.00 0.90 1.81 31 K H H 103.99 11.02 15.67 26.99 94.11 -126.82 -61.48 -38.66 10.02 0.13 89.85 3.54 2.47 4.58 87.74 1.54 0.02 0.05 0.05 32 D H H 98.91 2.17 20.50 21.82 92.56 52.37 -66.44 -36.88 5.68 0.07 94.25 1.57 0.83 3.39 92.37 1.75 0.02 0.04 0.02 33 A H H 23.05 10.86 16.18 28.60 92.89 52.55 -65.86 -39.62 3.01 0.07 96.92 0.98 0.45 1.68 94.67 2.14 0.02 0.05 0.02 34 L H H 15.09 20.08 12.21 32.04 92.64 51.26 -65.02 -41.69 2.33 0.07 97.60 0.80 0.36 1.27 95.49 2.01 0.01 0.04 0.01 35 E H H 122.34 3.63 17.64 22.33 92.46 50.44 -64.73 -39.77 3.34 0.07 96.59 0.80 0.38 2.18 94.20 2.37 0.02 0.05 0.02 36 A H H 79.67 2.13 17.70 19.84 91.82 52.76 -67.08 -31.14 10.02 0.05 89.92 0.63 0.71 8.73 87.93 1.89 0.04 0.02 0.03 37 N C T 57.43 12.26 13.97 26.82 96.01 44.65 -95.24 1.83 66.71 0.09 33.20 1.28 2.96 61.25 32.11 2.23 0.02 0.03 0.11 38 G C T 47.38 3.95 21.28 25.31 95.83 -115.94 71.95 21.93 97.11 0.07 2.82 7.26 3.78 86.44 1.58 0.85 0.00 0.04 0.04 39 M C C 25.60 20.63 12.18 32.05 105.05 140.43 -93.35 71.85 94.67 0.39 4.93 54.53 9.41 31.00 1.20 3.39 0.00 0.19 0.28 40 N C C 85.95 8.77 21.24 30.30 100.22 137.02 -100.99 -1.76 96.35 0.37 3.28 38.18 25.47 32.56 0.64 2.75 0.00 0.17 0.24 41 S C S 41.81 6.89 24.45 31.85 136.35 47.68 -133.41 161.04 95.80 1.43 2.77 22.74 71.83 0.92 2.53 0.25 0.00 0.22 1.51 42 V H H 28.20 21.19 15.90 36.64 91.75 -108.26 -60.14 -37.08 2.62 0.01 97.37 0.22 0.45 1.73 97.35 0.23 0.00 0.00 0.00 43 S H H 64.60 5.21 24.36 30.18 91.42 55.12 -62.86 -40.50 1.14 0.00 98.86 0.10 0.08 0.81 98.81 0.20 0.00 0.00 0.00 44 A H H 21.28 10.27 21.87 33.52 91.59 50.23 -64.42 -41.64 0.23 0.00 99.77 0.04 0.02 0.13 99.69 0.13 0.00 0.00 0.00 45 I H H 2.81 25.75 18.81 44.83 91.14 49.97 -63.35 -43.82 0.17 0.00 99.83 0.03 0.01 0.09 99.82 0.06 0.00 0.00 0.00 46 T H H 24.65 17.22 22.49 39.10 91.16 49.73 -63.44 -42.53 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 47 N H H 77.39 4.35 26.49 30.83 91.61 49.93 -64.76 -41.11 0.70 0.00 99.29 0.05 0.04 0.51 99.31 0.08 0.00 0.00 0.00 48 Q H H 33.17 14.28 21.73 36.20 92.11 50.28 -65.40 -41.57 1.55 0.01 98.44 0.16 0.13 1.13 98.26 0.31 0.00 0.00 0.00 49 V H H 7.12 23.83 17.34 40.86 92.88 47.77 -67.29 -40.00 2.64 0.03 97.34 0.33 0.25 1.97 96.75 0.67 0.01 0.01 0.01 50 T H H 56.32 11.62 20.81 32.19 95.47 47.47 -76.53 -32.64 7.97 0.05 91.97 0.56 0.71 6.62 91.40 0.64 0.03 0.02 0.03 51 N H H 102.85 2.96 21.87 24.46 99.45 36.88 -99.66 -2.88 36.19 0.41 63.41 3.66 7.09 25.74 61.85 1.11 0.13 0.12 0.30 52 G C C 20.93 16.23 11.32 26.74 116.35 -136.90 65.50 161.69 91.06 1.85 7.09 50.91 15.36 25.35 3.73 2.77 0.00 0.76 1.13 53 K C T 128.36 4.77 16.63 22.62 117.98 -142.38 -110.60 129.05 80.56 8.02 11.42 27.92 23.21 30.02 2.72 7.80 0.04 3.13 5.17 54 N C T 120.61 3.16 17.39 21.19 100.04 -11.65 58.42 -5.44 90.14 0.98 8.87 12.13 29.07 48.73 1.30 7.67 0.00 0.48 0.61 55 A C S 61.53 10.33 16.73 26.97 97.68 -32.19 -78.94 -6.19 90.93 1.43 7.64 16.61 41.61 32.94 1.40 5.95 0.00 0.70 0.79 56 M C S 47.36 15.03 13.86 29.29 119.70 90.60 -102.64 131.80 90.98 7.53 1.50 25.25 63.30 2.27 0.71 0.65 0.00 2.83 4.99 57 P C C 52.41 9.11 18.47 28.69 114.17 -107.54 -65.89 149.84 88.40 5.73 5.87 72.32 7.75 7.30 1.74 4.42 0.00 2.58 3.90 58 A C T 47.03 13.37 16.05 29.32 105.81 -107.18 -66.40 132.31 85.90 2.14 11.96 25.55 23.97 35.97 1.98 10.18 0.00 0.95 1.38 59 F C T 83.19 13.63 15.77 28.89 99.24 36.28 -74.32 15.75 83.60 2.60 13.80 19.27 21.82 42.21 2.46 11.23 0.01 1.15 1.85 60 G C T 45.38 7.52 16.69 25.04 99.55 -98.48 63.45 18.01 85.75 1.55 12.70 22.74 21.36 40.87 1.76 11.55 0.00 0.65 1.07 61 G C S 46.52 6.97 16.71 24.35 98.61 -39.16 81.72 1.73 90.20 1.31 8.49 25.59 32.15 31.56 1.06 8.22 0.00 0.59 0.83 62 R C C 123.12 7.68 19.07 27.38 99.45 103.71 -88.78 -9.84 93.36 2.82 3.82 58.51 24.20 9.61 0.77 3.55 0.00 1.12 2.25 63 L C C 15.26 23.04 10.02 32.04 122.19 63.87 -103.53 140.59 96.19 3.51 0.30 81.50 13.37 0.35 0.17 0.11 0.00 0.74 3.76 64 A C C 55.94 2.99 22.25 24.23 121.83 -124.91 -79.48 162.92 99.60 0.28 0.12 99.10 0.52 0.05 0.07 0.01 0.00 0.07 0.18 65 D H H 92.78 8.83 14.51 24.56 91.90 -102.99 -58.08 -38.81 1.98 0.00 98.02 0.30 0.23 1.30 97.33 0.84 0.00 0.00 0.00 66 N H H 110.73 1.83 20.33 21.44 91.73 52.36 -65.10 -38.76 1.44 0.00 98.56 0.17 0.10 1.06 97.51 1.16 0.00 0.00 0.00 67 D H H 41.24 13.17 18.83 32.16 92.13 50.54 -66.17 -40.19 0.68 0.00 99.32 0.19 0.06 0.39 98.32 1.04 0.00 0.00 0.00 68 I H H 5.54 24.38 16.96 41.42 91.50 50.89 -63.18 -43.53 0.10 0.00 99.90 0.02 0.00 0.05 99.88 0.05 0.00 0.00 0.00 69 E H H 76.94 10.08 24.01 34.14 91.27 51.09 -62.80 -42.04 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 70 D H H 60.95 6.37 26.91 33.97 91.54 49.99 -64.23 -42.05 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 71 V H H 4.23 23.40 23.46 46.50 91.43 49.04 -64.08 -43.86 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 72 A H H 3.57 23.48 22.58 45.84 90.97 51.27 -62.68 -42.69 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 73 N H H 71.89 6.76 27.52 35.02 91.53 50.86 -64.04 -41.16 0.11 0.00 99.89 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 74 Y H H 51.98 11.66 25.36 37.59 91.70 50.39 -63.76 -43.27 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 75 V H H 3.23 24.79 21.50 46.09 91.40 48.33 -63.72 -43.87 0.15 0.00 99.85 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 76 L H H 29.91 17.22 21.29 38.02 91.55 49.12 -63.67 -41.65 0.70 0.00 99.30 0.05 0.03 0.51 99.18 0.23 0.00 0.00 0.00 77 A H H 55.79 3.92 23.55 27.24 91.73 50.74 -65.16 -39.24 5.76 0.01 94.24 0.27 0.25 5.01 93.91 0.55 0.00 0.00 0.00 78 Q H H 58.06 10.74 18.98 30.40 93.13 48.29 -70.49 -34.43 17.77 0.06 82.17 1.69 1.68 14.19 80.90 1.45 0.03 0.02 0.04 79 S H H 19.02 18.27 13.43 31.17 95.01 57.91 -72.48 -27.20 34.28 0.78 64.94 14.59 5.86 15.46 57.92 5.35 0.05 0.35 0.41 80 V H H 80.40 7.69 14.60 23.25 97.99 58.96 -79.95 -15.29 47.69 1.23 51.08 21.21 5.57 22.29 41.50 8.16 0.03 0.60 0.64 81 K C T 152.98 2.14 13.50 16.76 106.09 73.68 -72.93 103.15 66.95 0.68 32.37 10.85 8.08 47.23 25.63 7.40 0.03 0.31 0.47 82 G C T 57.14 2.37 13.76 16.99 100.24 8.75 84.08 1.25 86.30 0.22 13.47 30.09 3.20 54.08 9.73 2.66 0.00 0.11 0.14 83 W C C 102.42 13.20 10.85 23.88 109.95 125.43 -83.48 119.31 99.86 0.09 0.05 99.67 0.16 0.08 0.02 0.00 0.00 0.04 0.02