# 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 Q C C 113.85 5.55 15.61 22.67 116.44 -162.19 -92.92 134.73 99.76 0.11 0.13 99.57 0.16 0.10 0.10 0.01 0.00 0.05 0.02 1 S C C 54.93 8.17 12.43 21.85 118.41 -133.51 -86.95 150.04 72.97 2.19 24.83 67.27 1.61 4.71 21.59 2.69 0.00 1.08 1.05 2 R H H 128.13 6.91 14.43 22.50 95.61 -131.83 -71.24 -26.86 43.50 2.75 53.75 25.15 9.23 11.65 43.19 8.13 0.07 1.62 0.96 3 S H H 34.60 13.42 11.91 25.47 94.66 59.88 -70.37 -34.51 38.87 4.70 56.44 22.90 7.74 10.70 44.21 9.84 0.10 3.22 1.29 4 A H H 61.77 6.77 13.93 21.97 93.96 62.27 -67.22 -33.19 34.86 4.62 60.51 20.66 7.01 9.40 46.86 11.52 0.09 3.25 1.21 5 K H H 139.60 3.08 16.18 20.17 93.81 57.37 -71.76 -22.21 39.37 5.04 55.59 16.88 8.78 16.19 42.40 10.41 0.34 3.35 1.64 6 A C T 37.87 13.02 13.53 26.89 95.94 54.96 -84.50 -2.74 65.08 1.65 33.27 9.48 10.39 44.00 24.62 9.52 0.15 0.92 0.94 7 G C T 46.83 4.35 20.29 25.07 97.72 -107.88 82.20 8.22 92.87 1.44 5.70 18.76 15.26 59.38 2.56 2.64 0.00 0.92 0.48 8 L C C 25.37 20.19 11.73 31.40 116.19 130.56 -93.80 129.34 85.13 12.06 2.81 71.39 9.29 3.89 1.38 1.48 0.00 7.93 4.65 9 T C C 82.85 6.08 22.19 28.94 116.07 -164.63 -108.53 124.26 83.42 14.62 1.96 64.39 16.35 2.53 1.30 0.85 0.00 9.74 4.83 10 F C C 32.31 20.53 14.56 34.44 119.59 -167.97 -110.77 131.10 89.98 9.02 1.00 61.99 27.93 0.93 0.93 0.26 0.00 6.20 1.76 11 P C C 54.53 7.74 23.37 31.59 109.79 -115.05 -67.98 134.96 91.67 6.24 2.09 89.21 1.97 0.91 1.77 0.35 0.00 3.93 1.85 12 V H H 36.10 20.26 15.30 34.40 94.11 -140.41 -62.96 -35.77 13.53 0.27 86.21 6.07 2.51 5.86 83.26 2.02 0.03 0.13 0.12 13 G H H 33.38 5.61 21.34 27.59 92.40 55.80 -61.50 -41.91 6.99 0.13 92.88 1.84 1.07 4.34 90.60 2.00 0.03 0.07 0.04 14 R H H 101.77 7.21 22.31 29.70 92.11 50.02 -66.55 -39.64 2.95 0.13 96.92 1.18 0.48 1.49 94.98 1.75 0.01 0.09 0.02 15 V H H 4.29 24.21 16.38 40.76 91.84 51.10 -63.97 -43.62 1.43 0.07 98.50 0.56 0.22 0.72 97.68 0.76 0.01 0.05 0.01 16 H H H 57.65 14.06 20.21 34.04 91.53 51.65 -62.65 -42.00 1.33 0.05 98.61 0.44 0.16 0.73 98.00 0.61 0.01 0.04 0.01 17 R H H 123.72 2.49 23.61 24.88 91.55 50.75 -63.88 -42.13 1.63 0.06 98.32 0.37 0.19 1.04 97.65 0.68 0.01 0.04 0.01 18 L H H 28.33 12.19 18.12 31.71 92.02 49.65 -64.64 -41.70 2.27 0.09 97.64 0.54 0.30 1.47 96.63 0.96 0.02 0.05 0.02 19 L H H 17.05 20.69 13.67 33.93 92.59 50.55 -65.82 -39.43 4.49 0.12 95.39 0.96 0.49 3.12 93.52 1.76 0.03 0.08 0.03 20 R H H 143.76 4.86 17.53 23.61 92.17 52.10 -67.18 -32.88 13.14 0.16 86.70 1.21 1.11 11.02 84.79 1.65 0.08 0.08 0.07 21 R C T 160.44 1.85 17.23 18.62 95.39 47.65 -85.56 -9.63 58.78 0.23 40.99 1.92 4.39 50.83 40.51 2.04 0.05 0.09 0.18 22 G C T 37.33 8.99 14.10 23.80 104.73 -99.09 80.58 13.53 91.63 0.29 8.09 7.37 12.57 71.74 5.98 2.00 0.00 0.13 0.20 23 N C C 77.91 6.92 17.01 24.90 101.34 130.34 -86.24 41.97 77.41 1.09 21.50 43.55 17.64 16.40 12.36 8.80 0.01 0.43 0.80 24 Y H H 46.47 16.40 14.66 30.95 95.31 129.51 -75.30 -24.38 40.78 1.61 57.61 17.16 7.91 15.60 30.63 27.03 0.10 0.84 0.73 25 A H H 30.52 15.59 13.70 29.33 91.84 71.22 -64.18 -27.56 23.27 0.98 75.75 6.29 3.77 11.82 39.01 38.11 0.10 0.58 0.31 26 Q H H 132.98 2.23 19.38 21.74 93.11 57.41 -73.18 -20.63 24.54 0.98 74.48 5.18 3.99 13.63 39.73 36.39 0.15 0.56 0.35 27 R H H 128.50 6.92 17.64 25.21 98.48 59.37 -87.22 -19.01 35.62 1.99 62.40 8.03 7.96 19.31 37.76 24.44 0.52 1.01 0.98 28 I C S 47.03 17.41 11.90 28.25 112.35 49.51 -104.49 52.27 61.50 9.25 29.24 22.83 28.13 11.77 22.97 4.13 0.47 2.57 7.13 29 G C C 35.29 5.15 18.04 23.94 125.56 -112.31 84.80 -171.51 76.99 2.28 20.74 44.90 15.25 16.28 5.78 15.33 0.00 1.00 1.46 30 S C T 92.05 2.41 16.26 19.64 95.75 -46.50 -66.10 -17.07 76.82 0.36 22.82 2.50 9.04 65.59 4.22 18.14 0.01 0.18 0.34 31 G C T 33.54 8.54 17.80 27.12 94.06 49.78 -75.14 -7.06 73.43 0.25 26.32 6.20 6.61 60.25 8.81 17.78 0.01 0.12 0.22 32 A H H 10.83 19.03 15.59 35.19 92.93 96.98 -61.47 -41.51 8.03 0.04 91.92 5.33 1.50 1.66 90.51 0.97 0.00 0.01 0.02 33 P H H 33.91 16.94 19.60 35.92 91.79 52.95 -63.44 -39.61 2.25 0.02 97.73 0.80 0.23 1.12 96.96 0.87 0.00 0.01 0.01 34 V H H 75.28 5.83 25.11 31.07 91.78 50.53 -64.95 -41.53 0.51 0.00 99.49 0.13 0.04 0.27 99.00 0.55 0.00 0.00 0.00 35 Y H H 68.97 13.12 23.80 36.57 91.78 49.22 -64.89 -42.28 0.25 0.00 99.75 0.06 0.02 0.13 99.63 0.16 0.00 0.00 0.00 36 L H H 7.31 24.21 21.10 44.71 91.65 49.76 -64.43 -42.68 0.23 0.00 99.77 0.05 0.01 0.12 99.76 0.05 0.00 0.00 0.00 37 T H H 33.78 14.86 23.69 38.11 91.44 51.04 -62.97 -41.95 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 38 A H H 39.56 6.42 25.90 33.05 91.31 50.87 -63.63 -42.18 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 39 V H H 15.09 18.72 23.11 41.44 91.41 49.76 -64.36 -42.99 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 40 L H H 9.63 23.48 21.50 44.27 91.24 50.94 -63.42 -41.93 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 41 E H H 88.48 9.69 24.96 34.71 91.27 51.49 -63.28 -41.32 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 Y H H 91.83 8.53 25.68 34.50 91.90 49.25 -64.92 -41.90 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 43 L H H 11.97 20.95 22.28 42.69 91.39 49.12 -65.09 -42.30 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 44 A H H 13.54 19.61 21.70 40.63 91.38 52.00 -63.13 -42.13 0.19 0.00 99.81 0.01 0.01 0.12 99.82 0.03 0.00 0.00 0.00 45 A H H 42.95 6.63 24.87 32.03 91.46 51.49 -63.89 -41.58 0.22 0.00 99.78 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 46 E H H 67.29 9.99 24.87 35.05 91.64 49.65 -65.16 -41.16 0.32 0.00 99.68 0.03 0.01 0.22 99.65 0.08 0.00 0.00 0.00 47 I H H 6.39 23.93 20.32 43.99 91.36 49.94 -64.04 -43.26 0.38 0.00 99.62 0.05 0.02 0.24 99.58 0.10 0.00 0.00 0.00 48 L H H 43.90 15.87 22.25 37.37 91.61 50.59 -63.40 -41.63 0.69 0.00 99.30 0.11 0.04 0.45 99.14 0.26 0.00 0.00 0.00 49 E H H 111.44 3.39 26.02 29.30 91.62 50.28 -64.40 -40.91 2.68 0.02 97.31 0.32 0.17 2.00 96.89 0.60 0.00 0.01 0.00 50 L H H 36.32 13.88 21.98 35.94 92.07 48.58 -66.34 -39.76 6.58 0.05 93.38 0.80 0.55 4.99 92.68 0.93 0.01 0.02 0.02 51 A H H 10.89 20.30 18.01 37.93 92.72 51.33 -66.91 -36.29 17.22 0.22 82.56 3.31 2.29 11.66 80.73 1.75 0.06 0.09 0.11 52 G H H 27.00 10.51 20.70 31.29 96.28 56.26 -62.43 -39.55 36.24 0.77 62.99 9.49 5.42 22.44 57.28 4.53 0.10 0.38 0.38 53 N H H 92.60 4.44 22.43 26.74 95.89 43.40 -74.10 -28.21 39.52 1.82 58.66 13.19 7.91 20.14 49.05 7.73 0.15 1.17 0.66 54 A H H 32.98 11.00 16.95 28.91 95.82 57.69 -71.23 -29.60 38.73 4.95 56.32 17.58 7.69 15.57 45.23 8.97 0.18 3.61 1.18 55 A H H 28.64 13.87 12.99 27.27 99.35 63.38 -76.14 -17.85 44.54 7.86 47.59 25.49 7.70 13.52 38.17 7.52 0.13 5.60 1.87 56 R C H 142.78 4.52 14.91 20.64 100.66 69.77 -78.66 -16.72 51.47 8.79 39.74 25.26 10.45 17.53 32.34 5.90 0.37 5.70 2.46 57 D C T 105.53 2.87 13.63 17.41 102.20 46.43 -84.16 12.99 69.52 3.41 27.07 25.12 16.43 28.33 21.83 5.00 0.09 2.04 1.16 58 N C T 93.42 5.85 11.24 18.46 105.45 56.44 -90.60 50.61 82.11 0.97 16.92 27.76 19.74 34.93 11.29 5.29 0.01 0.43 0.56 59 K C C 149.46 3.27 12.94 17.45 98.47 -150.57 -69.63 3.48 79.25 1.53 19.22 29.22 22.59 27.91 11.43 7.32 0.01 0.71 0.82 60 K C C 116.25 6.07 13.74 21.09 110.32 94.87 -90.84 115.76 73.26 5.12 21.62 40.02 18.18 15.39 13.07 8.41 0.03 3.06 1.84 61 T C C 67.87 10.40 14.39 25.34 108.29 65.48 -94.29 76.42 71.80 8.27 19.93 49.18 13.39 8.94 12.85 7.53 0.02 6.04 2.05 62 R C C 114.85 8.81 20.30 29.28 117.97 91.52 -101.61 137.57 67.59 14.30 18.11 44.11 16.26 7.16 12.63 6.06 0.04 10.48 3.25 63 I C C 22.56 21.68 14.47 35.64 112.62 -130.11 -90.89 122.87 68.20 18.89 12.91 51.72 12.12 3.09 10.47 3.24 0.02 9.70 9.64 64 I C C 54.43 9.91 22.11 32.48 119.00 -156.21 -90.86 145.10 84.41 1.56 14.04 77.26 4.88 1.08 15.08 0.50 0.00 0.80 0.40 65 P H H 52.11 14.13 16.53 30.72 92.70 -115.38 -57.72 -38.09 8.16 0.14 91.70 3.25 1.13 3.98 89.64 1.88 0.01 0.08 0.04 66 R H H 136.53 3.84 22.48 26.57 91.74 53.97 -63.98 -38.15 3.99 0.05 95.96 1.01 0.44 2.47 93.91 2.12 0.01 0.03 0.01 67 H H H 42.15 15.59 19.97 35.25 92.32 49.78 -66.26 -40.33 1.90 0.04 98.06 0.65 0.23 1.01 95.80 2.27 0.00 0.03 0.00 68 L H H 6.95 23.73 17.83 41.50 91.61 51.00 -64.09 -42.41 1.27 0.02 98.71 0.48 0.15 0.62 97.87 0.86 0.00 0.01 0.00 69 Q H H 75.86 9.73 23.56 33.31 91.38 51.73 -63.37 -41.61 1.38 0.02 98.59 0.36 0.14 0.83 98.03 0.62 0.00 0.01 0.00 70 L H H 49.36 6.99 23.54 31.42 91.54 50.77 -63.96 -42.24 1.46 0.02 98.51 0.30 0.16 0.96 97.79 0.76 0.00 0.01 0.00 71 A H H 7.01 18.30 17.73 36.91 91.85 50.85 -64.19 -41.91 1.97 0.04 97.99 0.52 0.22 1.18 96.98 1.06 0.01 0.02 0.01 72 I H H 31.32 17.60 17.80 34.95 92.90 48.08 -67.25 -38.81 4.07 0.06 95.87 0.59 0.39 3.02 94.19 1.74 0.02 0.04 0.02 73 R H H 142.04 4.17 20.49 25.17 92.87 50.79 -70.19 -30.55 12.45 0.06 87.49 0.69 0.93 10.78 86.33 1.19 0.04 0.02 0.03 74 N C T 86.85 6.01 17.12 23.79 101.69 32.30 -105.62 9.42 62.04 0.25 37.71 11.38 7.07 41.99 37.73 1.57 0.02 0.09 0.16 75 D C C 52.06 15.55 11.18 25.84 103.80 131.97 -75.54 70.64 54.83 0.32 44.85 47.62 3.85 3.22 43.13 1.88 0.00 0.10 0.19 76 D H H 107.33 1.95 18.56 20.34 93.81 54.81 -65.62 -35.94 7.89 0.05 92.06 1.43 1.11 5.30 87.47 4.63 0.02 0.03 0.02 77 E H H 90.20 5.71 18.62 25.09 92.35 51.61 -65.77 -40.22 4.23 0.06 95.71 0.92 0.44 2.86 91.69 4.04 0.01 0.04 0.01 78 L H H 7.83 22.50 12.52 34.99 91.95 50.71 -64.65 -42.08 2.09 0.04 97.87 0.57 0.25 1.22 94.83 3.09 0.00 0.03 0.01 79 N H H 64.19 11.76 17.09 29.19 91.17 53.68 -63.43 -38.11 2.08 0.03 97.89 0.47 0.21 1.32 95.07 2.91 0.00 0.02 0.00 80 K H H 142.13 1.49 22.08 22.16 91.90 52.84 -65.42 -38.83 3.36 0.03 96.61 0.28 0.23 2.89 92.54 4.02 0.01 0.02 0.01 81 L H H 44.41 14.20 17.91 32.09 94.15 47.06 -71.39 -38.13 5.57 0.04 94.39 0.25 0.39 5.22 91.71 2.34 0.04 0.02 0.02 82 L H H 13.69 22.10 13.79 35.53 98.57 37.15 -95.02 -12.29 26.88 0.65 72.47 2.56 3.73 21.43 68.80 2.52 0.32 0.26 0.39 83 G C T 36.80 6.47 18.95 26.57 109.32 -164.40 60.38 -138.78 87.21 1.77 11.02 13.62 9.03 64.29 7.85 3.35 0.02 1.06 0.78 84 N C T 124.12 2.33 19.75 22.15 99.55 -0.79 -88.87 23.38 88.16 2.61 9.22 13.38 14.38 60.86 4.66 4.12 0.02 1.92 0.67 85 V C C 29.99 19.82 11.31 30.33 116.13 148.47 -87.96 132.49 83.56 9.98 6.46 72.30 8.49 2.63 4.22 2.36 0.00 7.92 2.08 86 T C C 74.79 5.68 22.46 28.65 118.73 -160.28 -106.79 130.57 55.49 38.01 6.49 48.45 3.42 1.80 5.32 1.89 0.01 30.54 8.58 87 I C E 41.68 19.45 13.41 31.81 109.92 -161.08 -95.26 104.85 41.95 41.47 16.59 31.37 5.57 4.16 11.75 6.14 0.13 34.48 6.41 88 A C C 55.26 8.89 15.97 25.40 101.16 78.35 -73.76 -31.01 42.60 25.07 32.34 23.23 8.94 13.54 10.45 19.79 0.20 20.89 2.97 89 Q C T 132.70 2.99 17.20 20.67 101.22 33.86 -86.72 23.61 50.81 13.29 35.89 11.68 11.19 30.67 8.16 25.22 0.39 9.94 2.76 90 G C T 41.48 7.77 16.34 24.68 104.97 -47.06 88.44 1.36 66.15 4.58 29.27 12.03 14.54 40.69 5.12 22.94 0.07 3.07 1.55 91 G C C 26.49 12.08 16.74 28.84 120.12 98.52 93.50 -170.37 76.29 16.71 7.01 28.54 22.16 27.57 1.89 4.66 0.04 12.28 2.85 92 V C C 57.17 14.05 17.94 31.77 121.05 -87.61 -108.71 134.61 54.80 41.50 3.70 35.82 14.08 3.81 2.33 1.78 0.09 20.13 21.95 93 L C C 33.43 17.94 15.11 32.91 112.91 -136.22 -95.01 118.10 83.22 13.11 3.67 71.47 9.03 2.11 2.52 1.35 0.00 9.93 3.58 94 P C T 71.09 7.60 18.45 26.90 108.47 -125.73 -66.03 142.12 79.54 5.12 15.33 18.37 12.52 48.72 10.31 5.00 0.07 3.73 1.27 95 N C T 92.58 5.95 19.35 26.11 95.18 10.59 59.64 34.26 81.36 1.85 16.79 25.23 8.60 47.69 12.01 4.63 0.02 1.04 0.78 96 I H H 18.08 20.34 13.65 33.91 94.86 143.05 -67.06 -37.62 31.97 1.38 66.64 16.30 4.38 12.43 49.94 15.52 0.05 0.80 0.57 97 H H H 68.06 16.06 15.66 30.88 92.88 58.18 -64.59 -36.71 17.21 0.59 82.19 5.02 2.28 9.60 60.09 22.38 0.05 0.41 0.17 98 Q H H 124.16 2.87 18.77 22.34 92.42 53.74 -68.25 -31.49 10.73 0.28 88.99 1.84 1.28 6.76 62.05 27.76 0.05 0.20 0.07 99 N H H 87.57 6.62 17.95 25.24 96.26 44.29 -83.83 -22.48 18.33 0.28 81.39 1.91 1.90 13.09 59.48 23.22 0.11 0.17 0.11 100 L H H 29.69 18.68 14.04 32.12 100.82 38.89 -99.04 -16.84 40.14 1.18 58.67 5.01 7.81 27.77 43.59 13.79 0.68 0.55 0.81 101 L C S 40.33 16.27 12.45 28.75 118.11 78.87 -101.75 127.27 97.76 1.58 0.66 24.95 71.98 1.13 0.40 0.19 0.00 0.59 0.76 102 P C C 67.55 7.76 12.96 22.35 114.00 -120.92 -67.91 148.08 96.35 2.61 1.05 86.72 6.24 3.43 0.37 0.58 0.00 1.52 1.15 103 K C C 149.56 3.29 11.64 17.00 110.82 -120.70 -84.45 130.62 92.86 5.96 1.18 88.98 1.56 2.60 0.51 0.42 0.00 2.94 3.00 104 K C C 149.04 3.27 12.71 17.81 111.95 -116.75 -87.67 130.71 99.84 0.14 0.02 99.76 0.10 0.04 0.01 0.00 0.00 0.08 0.02