# 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 112.59 6.02 11.21 18.77 118.13 -160.18 -97.47 135.84 99.95 0.04 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00 1 R C C 164.06 2.73 10.90 15.40 116.25 -149.52 -95.45 131.29 93.36 5.02 1.62 92.31 0.91 1.00 0.78 0.46 0.00 3.10 1.44 2 I C C 101.41 7.11 8.23 16.78 114.57 -139.04 -90.40 131.60 87.42 9.41 3.17 77.52 7.09 2.68 1.68 1.39 0.00 6.64 3.01 3 K C C 136.23 3.55 11.08 16.49 116.48 -153.83 -97.89 137.06 88.48 7.56 3.96 76.32 8.99 3.17 2.13 1.72 0.00 5.36 2.30 4 K C C 132.97 4.81 10.77 17.38 114.47 -134.84 -91.29 134.43 88.74 4.81 6.46 73.60 10.74 4.44 3.56 2.81 0.00 3.11 1.75 5 K C C 129.50 5.21 11.53 18.33 111.57 -135.77 -87.09 134.60 82.09 3.52 14.39 47.59 16.22 18.75 7.16 6.79 0.01 2.01 1.46 6 N C C 94.66 6.80 11.28 19.19 106.30 5.03 -61.54 75.12 82.29 2.21 15.50 40.60 19.68 22.75 6.52 8.23 0.01 1.10 1.10 7 T C C 85.21 5.48 12.02 18.89 105.93 131.63 -91.61 17.50 78.69 3.08 18.23 44.65 19.08 15.38 8.34 9.38 0.01 1.46 1.68 8 R C C 148.28 4.33 13.11 18.87 108.53 91.46 -90.79 78.72 78.04 2.38 19.57 30.67 23.09 25.46 8.77 9.53 0.02 1.04 1.43 9 G C T 38.52 6.57 14.58 22.23 111.18 23.95 77.16 -133.02 77.12 1.30 21.58 24.25 25.48 28.58 6.87 13.38 0.01 0.57 0.85 10 N C C 83.55 8.48 15.58 24.70 100.75 21.00 -79.71 -1.49 63.37 2.36 34.27 30.47 15.92 18.22 8.52 24.58 0.01 1.17 1.11 11 A C G 42.83 12.91 13.62 26.78 97.42 91.47 -71.73 -20.31 50.04 4.94 45.01 27.84 10.89 13.45 8.28 35.09 0.02 3.27 1.18 12 R C G 133.69 6.85 18.63 26.06 97.55 65.93 -78.10 -11.55 51.31 8.03 40.66 28.38 11.88 13.57 7.29 31.41 0.02 6.14 1.31 13 N C C 65.85 11.65 18.64 30.41 101.35 61.51 -93.12 14.42 54.85 17.03 28.13 31.15 13.59 12.29 4.47 21.97 0.02 15.09 1.42 14 F E E 50.07 16.84 17.97 34.66 119.67 108.09 -99.51 135.66 30.84 66.65 2.50 25.14 4.59 1.26 1.73 1.02 0.02 60.77 5.48 15 I E E 18.72 18.42 18.97 37.58 128.83 -167.63 -124.81 146.97 19.47 80.19 0.33 18.53 0.99 0.10 0.34 0.09 0.00 72.04 7.90 16 T C C 40.37 8.89 24.40 33.74 122.03 -124.86 -81.47 161.80 50.91 48.89 0.20 52.00 0.65 0.05 0.20 0.04 0.00 45.08 1.99 17 R H H 68.21 18.46 15.96 33.83 91.19 -110.31 -58.43 -38.68 1.39 0.00 98.61 0.22 0.14 0.83 98.59 0.23 0.00 0.00 0.00 18 S H H 64.99 3.49 22.80 26.10 91.93 53.50 -64.03 -40.36 0.76 0.00 99.23 0.09 0.06 0.50 99.17 0.18 0.00 0.00 0.00 19 Q H H 68.97 6.41 21.81 28.78 91.97 47.83 -66.25 -40.49 0.37 0.00 99.63 0.07 0.03 0.21 99.49 0.20 0.00 0.00 0.00 20 A H H 3.61 22.14 13.89 36.73 91.52 52.15 -63.65 -43.40 0.34 0.00 99.66 0.07 0.03 0.18 99.63 0.08 0.00 0.00 0.00 21 V H H 33.97 12.67 16.46 30.08 92.00 50.50 -64.01 -42.25 0.44 0.00 99.55 0.07 0.04 0.26 99.54 0.09 0.00 0.00 0.00 22 R H H 166.57 1.21 20.03 19.68 92.10 49.28 -64.62 -41.17 0.83 0.00 99.17 0.06 0.04 0.65 99.07 0.17 0.00 0.00 0.00 23 K H H 108.28 6.74 17.00 24.63 92.52 47.88 -68.46 -36.35 3.26 0.00 96.74 0.08 0.12 2.91 96.67 0.21 0.00 0.00 0.00 24 L H H 36.81 15.80 12.34 28.34 96.34 38.98 -93.90 -4.15 29.38 0.05 70.56 1.38 2.44 24.29 71.30 0.51 0.02 0.01 0.04 25 Q C T 153.06 1.00 18.98 18.76 94.45 -127.82 57.13 40.82 99.33 0.04 0.63 17.20 4.49 77.78 0.39 0.10 0.00 0.02 0.02 26 V C C 34.32 13.87 9.66 24.20 131.92 132.02 -124.10 158.50 99.61 0.30 0.09 74.23 25.05 0.32 0.05 0.02 0.00 0.08 0.25 27 S C C 64.36 1.86 20.99 20.83 119.15 -103.93 -73.70 160.69 99.71 0.23 0.06 99.43 0.31 0.04 0.03 0.00 0.00 0.05 0.14 28 L H H 79.30 12.76 12.53 25.59 91.31 -110.58 -57.60 -39.56 1.31 0.00 98.69 0.23 0.17 0.71 98.18 0.71 0.00 0.00 0.00 29 A H H 64.87 2.59 19.15 21.45 91.22 53.90 -63.26 -40.51 0.75 0.00 99.25 0.06 0.05 0.55 98.32 1.01 0.00 0.00 0.00 30 D H H 58.49 7.14 18.91 27.08 91.84 48.91 -66.03 -39.72 0.44 0.00 99.56 0.05 0.03 0.29 98.46 1.17 0.00 0.00 0.00 31 F H H 11.32 22.17 14.03 36.30 91.65 51.82 -63.27 -42.72 0.37 0.00 99.63 0.06 0.03 0.21 99.14 0.57 0.00 0.00 0.00 32 R H H 100.23 11.52 19.88 31.23 91.60 52.01 -62.80 -40.91 1.17 0.01 98.82 0.13 0.07 0.88 97.07 1.84 0.00 0.00 0.00 33 R H H 124.07 3.82 22.84 26.55 91.77 51.17 -65.21 -40.08 3.61 0.01 96.37 0.19 0.17 3.31 92.97 3.33 0.01 0.01 0.00 34 L H H 27.10 14.80 19.23 34.57 92.05 50.03 -66.89 -39.46 9.79 0.12 90.09 0.98 0.89 8.21 85.54 4.22 0.05 0.06 0.05 35 C H H 11.69 19.45 16.46 35.82 92.36 52.25 -66.72 -36.99 25.10 2.79 72.10 7.92 4.09 13.69 57.52 13.71 0.33 1.74 0.99 36 I H H 78.65 8.73 18.64 27.79 93.04 54.80 -66.20 -38.38 25.50 3.91 70.59 5.46 3.76 15.37 42.98 27.98 0.55 2.92 0.98 37 F H H 118.16 5.87 18.55 25.01 93.14 52.09 -70.20 -30.26 28.97 4.78 66.24 4.89 4.43 18.54 39.59 26.96 0.87 3.27 1.45 38 K C T 86.30 9.88 16.67 27.13 95.73 45.68 -90.75 -4.48 55.48 1.98 42.53 4.30 7.18 41.67 22.86 21.33 0.36 1.15 1.16 39 G C T 34.49 8.67 18.07 27.61 96.55 -114.46 78.69 17.51 95.46 1.44 3.09 12.78 11.84 71.21 1.41 1.40 0.00 0.91 0.44 40 I C C 43.25 16.06 16.03 31.94 108.86 133.33 -92.93 94.79 79.42 18.68 1.90 44.31 30.17 5.65 0.90 1.10 0.02 9.02 8.84 41 Y C C 83.05 12.74 18.17 31.15 118.57 92.01 -111.07 122.86 82.72 16.38 0.90 47.87 33.19 2.55 0.38 0.58 0.00 9.75 5.66 42 P C C 48.72 14.78 16.53 31.15 108.52 -128.39 -72.63 139.28 91.93 7.34 0.73 64.35 24.24 3.53 0.21 0.59 0.00 5.17 1.90 43 R C C 120.98 7.47 18.98 27.22 122.78 -135.19 -110.50 144.37 91.27 7.96 0.76 63.08 25.98 1.85 0.30 0.46 0.00 2.72 5.61 44 E C C 96.00 9.87 14.89 25.61 115.07 -109.45 -79.17 134.83 98.56 1.19 0.25 88.57 9.66 0.42 0.11 0.12 0.00 0.59 0.52 45 P C C 45.35 13.04 10.89 24.54 111.76 -110.39 -66.57 147.50 90.69 1.18 8.13 81.93 3.83 5.17 2.11 5.70 0.00 0.59 0.67 46 R C T 175.04 1.84 14.44 16.78 96.44 -127.97 -69.80 -24.47 84.89 0.73 14.38 19.49 29.85 36.01 3.71 10.05 0.00 0.31 0.57 47 N C C 85.57 4.81 11.72 18.02 104.00 52.03 -101.29 64.10 83.80 0.92 15.29 36.88 15.60 31.61 5.23 9.57 0.00 0.35 0.75 48 K H H 103.00 9.08 10.21 20.22 96.00 157.82 -70.06 -29.77 39.84 0.62 59.55 22.41 6.84 11.10 35.47 23.53 0.01 0.29 0.35 49 K H H 136.50 2.80 13.14 17.14 95.80 62.35 -70.51 -31.53 33.48 0.85 65.67 11.11 6.03 15.32 39.74 26.87 0.07 0.45 0.40 50 K H H 129.98 2.80 13.56 17.17 98.09 54.99 -77.13 -22.77 30.99 1.40 67.61 12.04 6.00 12.23 40.48 27.86 0.07 0.77 0.54 51 A H H 51.18 8.44 10.26 19.83 100.09 69.86 -75.02 -22.79 44.19 1.82 53.99 17.08 11.03 17.31 37.44 15.13 0.13 0.86 1.02 52 N C C 82.04 6.96 10.33 18.69 108.03 48.79 -99.96 81.58 70.24 2.85 26.91 32.79 16.61 22.05 16.52 8.84 0.06 1.11 2.02 53 K C T 154.88 2.10 11.18 14.76 105.27 -139.98 -75.50 99.43 88.25 1.41 10.34 22.53 21.10 45.26 4.82 4.73 0.01 0.58 0.97 54 G C T 61.41 1.27 11.20 12.95 104.92 4.15 81.96 0.14 94.22 0.67 5.11 19.05 28.75 46.53 1.06 3.86 0.00 0.31 0.44 55 S C S 71.92 4.33 8.59 14.73 111.46 115.29 -92.20 123.61 94.85 1.27 3.87 34.19 39.09 21.26 0.64 3.44 0.00 0.53 0.85 56 T C S 113.85 1.51 11.25 13.56 102.48 -151.41 -91.28 3.73 95.90 1.97 2.14 36.38 46.03 13.28 0.39 1.84 0.00 0.86 1.23 57 A C S 61.45 4.61 11.28 17.74 117.31 99.93 -88.13 143.72 98.23 1.44 0.33 47.95 49.10 1.36 0.09 0.21 0.00 0.60 0.69 58 P C C 80.89 6.89 13.55 21.80 111.04 -106.03 -69.14 139.71 98.08 1.32 0.60 78.41 15.56 4.07 0.11 0.57 0.00 0.88 0.41 59 T C C 55.31 11.53 14.88 27.08 121.73 -160.25 -111.33 139.74 83.79 15.27 0.93 58.64 21.87 3.42 0.20 0.85 0.00 13.26 1.77 60 T E E 42.12 12.81 17.99 31.59 120.93 -148.33 -108.36 134.97 47.55 52.01 0.44 39.60 6.98 0.91 0.14 0.36 0.00 49.18 2.83 61 F E E 45.34 15.70 19.40 35.28 125.45 -162.73 -115.51 141.13 18.96 80.87 0.18 17.03 1.66 0.17 0.11 0.08 0.00 78.03 2.91 62 Y E E 28.24 18.52 18.12 36.81 127.38 -164.19 -120.68 145.80 12.94 86.97 0.09 12.65 0.54 0.05 0.08 0.03 0.00 84.09 2.56 63 Y E E 62.06 10.30 22.08 32.98 121.52 -124.48 -85.73 156.61 27.35 72.36 0.28 27.53 0.81 0.09 0.34 0.07 0.00 63.77 7.39 64 A H H 40.07 12.97 16.58 30.25 91.75 -114.92 -58.72 -37.53 1.51 0.01 98.48 0.28 0.18 0.94 97.72 0.88 0.00 0.01 0.00 65 K H H 122.11 2.84 21.86 24.61 91.61 54.34 -64.05 -39.83 0.44 0.00 99.56 0.04 0.03 0.33 98.79 0.82 0.00 0.00 0.00 66 D H H 34.16 12.54 18.35 31.69 92.11 50.11 -65.85 -40.52 0.22 0.00 99.78 0.02 0.01 0.16 98.94 0.87 0.00 0.00 0.00 67 I H H 19.99 18.09 16.14 34.68 92.26 50.30 -64.51 -42.46 0.13 0.00 99.87 0.01 0.01 0.08 99.65 0.25 0.00 0.00 0.00 68 Q H H 85.08 5.18 20.88 26.51 91.63 51.05 -63.17 -41.76 0.38 0.00 99.62 0.03 0.01 0.28 99.36 0.31 0.00 0.00 0.00 69 Y H H 100.06 5.12 19.82 25.50 92.05 50.50 -64.51 -42.07 0.93 0.00 99.07 0.07 0.04 0.76 98.57 0.56 0.00 0.00 0.00 70 E H H 42.70 13.48 16.32 30.53 92.33 50.08 -65.67 -40.42 2.26 0.00 97.74 0.21 0.15 1.71 96.82 1.10 0.00 0.00 0.00 71 E H H 77.59 9.47 16.91 27.13 92.14 51.69 -66.59 -34.76 14.08 0.02 85.90 0.72 0.73 12.25 84.43 1.84 0.01 0.01 0.01 72 K H H 117.75 3.22 17.75 21.18 93.61 52.50 -75.96 -25.20 38.06 0.09 61.85 2.83 2.62 31.35 61.07 2.03 0.02 0.03 0.06 73 K H H 94.54 7.03 15.25 23.30 96.10 63.83 -68.66 -37.03 28.26 0.26 71.48 14.07 5.46 8.74 69.49 1.99 0.01 0.09 0.13 74 L H H 75.88 6.89 15.41 23.26 94.62 53.45 -66.68 -38.41 11.42 0.12 88.46 6.72 1.60 3.42 86.52 1.64 0.00 0.06 0.04 75 K H H 112.24 3.50 17.11 21.12 93.95 53.33 -66.13 -39.41 6.47 0.10 93.43 3.42 0.87 2.48 91.43 1.70 0.00 0.06 0.03 76 M H H 86.32 5.00 16.25 22.20 93.12 51.39 -66.12 -41.13 3.52 0.07 96.41 1.74 0.49 1.42 94.86 1.42 0.00 0.04 0.01 77 I H H 72.77 6.06 16.07 23.00 92.56 50.06 -65.46 -41.56 3.30 0.06 96.64 1.72 0.42 1.25 95.63 0.93 0.00 0.04 0.01 78 M H H 89.30 3.45 17.11 21.12 92.23 50.43 -64.95 -41.19 3.14 0.04 96.82 1.50 0.39 1.27 96.20 0.62 0.00 0.02 0.01 79 M H H 90.20 3.12 17.32 20.79 91.98 50.27 -64.67 -41.61 2.13 0.02 97.85 0.83 0.26 0.94 97.60 0.36 0.00 0.01 0.00 80 S H H 44.21 5.05 15.90 22.08 91.95 50.68 -64.34 -41.42 1.76 0.01 98.23 0.61 0.17 0.82 98.13 0.27 0.00 0.00 0.00 81 N H H 80.02 3.18 16.73 20.28 91.93 50.60 -64.47 -40.85 0.90 0.00 99.09 0.24 0.08 0.45 99.07 0.17 0.00 0.00 0.00 82 K H H 115.97 2.26 17.33 19.34 91.97 50.14 -64.78 -40.75 0.72 0.00 99.28 0.15 0.06 0.40 99.26 0.14 0.00 0.00 0.00 83 Q H H 90.30 3.76 15.95 20.44 91.97 50.23 -65.16 -40.55 0.53 0.00 99.47 0.11 0.04 0.29 99.47 0.10 0.00 0.00 0.00 84 K H H 111.85 2.84 16.34 19.36 91.87 50.80 -64.76 -40.69 0.45 0.00 99.55 0.09 0.03 0.24 99.57 0.07 0.00 0.00 0.00 85 K H H 108.01 2.09 16.58 18.36 91.85 50.32 -64.63 -41.58 0.45 0.00 99.55 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 86 L H H 82.79 2.78 15.66 18.89 91.93 49.81 -64.42 -41.81 0.35 0.00 99.64 0.06 0.02 0.19 99.67 0.06 0.00 0.00 0.00 87 Y H H 117.92 2.96 15.40 18.85 91.92 50.13 -64.68 -41.24 0.39 0.00 99.61 0.06 0.02 0.22 99.64 0.05 0.00 0.00 0.00 88 K H H 113.60 2.13 15.82 17.93 91.81 50.55 -64.57 -41.01 0.49 0.00 99.51 0.08 0.03 0.28 99.55 0.06 0.00 0.00 0.00 89 K H H 121.07 1.91 15.94 17.62 92.04 50.23 -65.12 -40.96 0.54 0.00 99.46 0.09 0.03 0.32 99.48 0.08 0.00 0.00 0.00 90 M H H 97.32 2.66 15.40 18.36 92.14 49.90 -65.49 -40.88 0.74 0.00 99.26 0.13 0.05 0.43 99.30 0.10 0.00 0.00 0.00 91 K H H 118.17 2.21 16.17 18.32 92.04 50.42 -64.99 -40.90 1.09 0.00 98.90 0.22 0.09 0.62 98.95 0.13 0.00 0.00 0.00 92 Y H H 125.85 2.29 15.78 18.12 92.43 49.42 -65.30 -41.03 1.41 0.00 98.59 0.33 0.13 0.77 98.59 0.17 0.00 0.00 0.00 93 S H H 53.04 2.52 15.58 18.51 91.91 50.51 -64.09 -41.51 1.63 0.00 98.36 0.46 0.16 0.82 98.35 0.21 0.00 0.00 0.00 94 N H H 85.82 2.10 16.16 18.01 92.27 49.33 -65.13 -40.45 1.80 0.00 98.19 0.44 0.18 0.98 98.17 0.23 0.00 0.00 0.00 95 A H H 50.65 2.68 14.42 18.01 91.96 50.56 -64.20 -40.99 2.27 0.01 97.72 0.54 0.23 1.26 97.68 0.28 0.00 0.00 0.00 96 K H H 115.27 2.04 14.87 17.00 91.85 50.72 -64.48 -41.07 2.11 0.01 97.88 0.61 0.24 1.07 97.77 0.32 0.00 0.00 0.00 97 K H H 117.28 1.62 14.52 15.84 92.02 50.27 -64.99 -40.43 2.40 0.01 97.59 0.71 0.26 1.23 97.36 0.43 0.00 0.00 0.00 98 E H H 108.93 1.66 13.53 15.14 91.99 50.18 -65.56 -40.39 2.62 0.01 97.36 0.87 0.32 1.28 96.97 0.56 0.00 0.01 0.01 99 E H H 106.80 1.99 11.87 14.53 92.37 50.78 -65.40 -39.87 3.80 0.03 96.17 1.19 0.46 1.96 95.60 0.76 0.00 0.01 0.01 100 Q H H 121.38 1.28 11.37 12.80 92.66 50.58 -67.21 -37.69 7.93 0.04 92.03 1.77 0.86 4.79 91.49 1.05 0.01 0.02 0.02 101 A H H 82.20 1.21 9.96 11.60 93.63 53.06 -69.81 -29.10 20.93 0.07 79.00 3.84 2.21 13.95 78.79 1.12 0.01 0.02 0.05 102 E C H 141.54 1.46 8.82 11.21 97.62 57.23 -79.59 -11.84 53.54 0.16 46.30 22.20 1.80 26.76 48.06 1.03 0.00 0.05 0.11 103 N C C 123.00 1.94 11.31 14.35 102.17 73.74 -68.79 44.78 99.91 0.01 0.08 99.22 0.18 0.53 0.06 0.00 0.00 0.01 0.00