# 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 88.66 11.22 15.27 26.66 116.54 -155.50 -93.54 131.57 99.78 0.19 0.03 99.70 0.12 0.04 0.01 0.00 0.00 0.09 0.03 1 A C C 53.00 10.24 11.59 22.60 113.66 -125.78 -82.16 139.62 89.12 4.94 5.93 85.81 1.05 3.32 3.59 1.45 0.00 3.03 1.75 2 Q C C 125.35 4.04 13.42 19.02 109.38 -158.78 -93.87 94.13 80.69 8.08 11.23 57.77 13.21 9.59 7.24 4.16 0.01 5.42 2.60 3 T C C 77.79 7.25 12.72 21.13 116.43 -143.36 -98.07 137.68 73.18 8.55 18.27 48.02 15.06 10.19 11.95 6.50 0.02 6.00 2.26 4 A C C 54.95 9.85 13.40 23.97 111.49 -131.50 -90.70 128.33 68.23 7.14 24.63 44.91 13.17 10.00 16.51 8.49 0.02 5.13 1.77 5 H C C 96.72 9.64 14.87 25.17 112.55 -149.94 -95.61 120.14 62.93 8.54 28.52 43.14 10.48 8.89 19.86 9.29 0.03 6.12 2.19 6 Q C C 83.47 11.22 14.38 26.01 112.60 -162.42 -95.22 125.21 58.09 9.83 32.08 40.08 9.47 8.22 22.39 10.25 0.04 7.13 2.41 7 N C C 78.60 9.76 15.16 25.57 113.28 -161.82 -97.20 123.34 60.32 10.20 29.48 40.94 9.95 9.15 19.99 10.02 0.05 7.50 2.40 8 R C C 126.34 8.47 15.85 25.02 109.25 -161.45 -93.73 97.89 59.68 12.93 27.40 37.29 11.72 10.88 18.18 9.44 0.11 9.11 3.28 9 Y C C 90.60 12.83 12.66 25.59 111.88 74.36 -97.14 116.67 64.11 13.30 22.60 40.23 13.12 10.72 16.60 6.40 0.14 8.20 4.59 10 Q C C 117.35 5.45 16.52 22.84 103.03 -107.03 -74.84 66.58 72.79 5.20 22.01 31.72 14.40 27.25 16.67 5.12 0.07 3.00 1.78 11 G C T 39.53 9.20 16.34 25.76 101.73 -28.40 68.63 2.99 74.85 1.76 23.39 18.81 17.62 38.86 17.39 5.51 0.05 0.87 0.88 12 G C C 28.13 12.41 17.83 29.79 107.55 -26.84 76.42 -13.54 63.74 5.76 30.50 28.15 17.33 19.90 24.05 5.29 0.18 3.13 1.97 13 L H H 56.43 12.39 20.93 33.27 105.46 96.60 -83.92 36.14 41.04 10.05 48.91 29.57 7.47 6.18 44.66 2.99 0.09 6.03 3.01 14 C H H 16.19 20.33 20.69 39.82 100.39 81.37 -71.05 -44.16 17.59 3.22 79.19 12.04 3.03 3.90 76.18 1.85 0.05 2.44 0.52 15 Y H H 47.78 19.41 21.96 39.53 94.16 49.83 -64.75 -41.98 5.31 1.57 93.12 2.78 0.83 2.06 91.12 1.50 0.03 1.50 0.18 16 A H H 42.36 7.47 25.49 33.31 92.04 51.81 -64.25 -41.53 3.33 1.28 95.38 1.58 0.46 1.37 93.74 1.46 0.02 1.20 0.17 17 Q H H 48.22 12.19 24.00 36.15 92.30 50.28 -65.67 -40.67 4.06 1.01 94.93 1.76 0.59 1.80 93.37 1.41 0.03 0.86 0.19 18 C H H 4.28 24.20 18.91 42.99 91.85 50.95 -65.58 -42.06 5.49 0.36 94.15 2.23 0.85 2.61 92.84 1.12 0.02 0.22 0.12 19 N H H 55.12 14.61 22.13 35.80 91.72 52.72 -62.87 -41.63 3.92 0.15 95.93 1.39 0.53 2.11 94.36 1.45 0.02 0.09 0.05 20 E H H 100.36 3.97 25.19 28.91 91.92 50.37 -65.24 -40.87 4.89 0.16 94.95 1.12 0.54 3.29 92.27 2.60 0.04 0.10 0.05 21 L H H 28.02 14.90 20.07 35.30 92.40 49.46 -65.75 -41.44 6.24 0.13 93.62 1.08 0.62 4.54 89.67 3.95 0.03 0.08 0.04 22 F H H 19.16 20.36 15.86 35.94 92.93 49.07 -68.36 -34.86 10.14 0.31 89.55 2.00 1.18 7.05 82.07 7.37 0.05 0.19 0.10 23 S H H 58.57 7.57 18.36 26.79 91.89 60.57 -65.37 -29.95 24.63 0.27 75.10 2.29 1.87 19.64 64.49 11.34 0.09 0.15 0.13 24 F H H 121.29 5.11 18.65 24.26 95.05 49.30 -77.07 -28.30 36.06 0.27 63.67 2.78 3.20 29.49 55.77 8.36 0.10 0.14 0.15 25 W H H 97.74 11.80 15.80 27.90 102.97 32.47 -101.71 -19.61 48.68 1.48 49.84 12.92 14.25 24.42 41.23 5.32 0.28 0.57 1.02 26 N C C 44.33 13.41 13.42 27.40 114.51 27.49 -127.26 99.82 92.52 1.21 6.27 73.55 15.28 3.39 5.24 1.31 0.00 0.48 0.75 27 P C H 81.72 6.24 17.46 24.93 95.18 -161.96 -67.01 -17.25 56.22 0.99 42.79 23.67 8.26 24.57 35.33 7.19 0.02 0.51 0.46 28 S H H 38.65 10.68 17.98 29.33 95.71 75.47 -70.88 -24.94 43.83 1.26 54.91 20.93 5.55 18.14 47.12 7.00 0.04 0.73 0.49 29 I H H 27.43 20.20 14.83 34.10 93.60 71.07 -65.49 -37.06 15.97 1.16 82.87 9.44 3.07 5.07 73.80 7.53 0.03 0.81 0.26 30 Q H H 89.35 8.56 20.43 29.34 92.45 55.39 -64.75 -38.46 9.32 1.48 89.20 4.69 1.66 3.98 80.08 8.04 0.05 1.30 0.20 31 Q H H 83.26 6.46 22.38 28.95 92.54 51.35 -66.94 -39.66 8.89 1.86 89.25 3.72 1.56 4.48 79.18 8.99 0.09 1.74 0.23 32 C H H 12.24 19.98 17.03 36.69 93.39 50.05 -66.84 -39.96 11.96 2.01 86.03 4.76 2.03 6.18 76.33 8.52 0.12 1.71 0.35 33 W H H 62.91 17.95 18.79 35.54 93.06 52.93 -66.76 -36.81 18.40 2.67 78.93 5.58 3.24 11.06 68.17 8.81 0.42 2.04 0.66 34 K H H 123.38 5.48 22.55 28.41 95.02 55.62 -69.51 -17.28 36.59 0.86 62.55 2.79 3.11 30.28 55.65 6.80 0.43 0.52 0.42 35 G C T 31.34 10.61 20.97 31.24 100.09 34.13 -80.46 -6.94 56.73 0.70 42.57 5.32 5.61 44.19 39.28 4.73 0.11 0.35 0.40 36 C C C 14.19 21.51 14.25 35.23 115.93 105.46 -89.39 136.80 80.56 6.52 12.92 54.33 18.78 7.11 10.20 2.91 0.03 2.61 4.02 37 D C C 64.26 9.49 23.76 33.56 96.64 -148.73 -72.22 -22.08 61.35 7.49 31.16 27.36 14.91 20.83 18.26 10.67 0.46 3.35 4.15 38 F C T 42.88 18.33 19.51 36.73 92.87 58.62 -67.39 -27.87 60.60 3.67 35.73 11.53 11.74 36.20 21.02 14.57 0.72 1.97 2.25 39 G C T 15.65 17.50 17.79 34.55 94.30 56.69 -68.59 -26.82 58.52 3.29 38.20 13.69 13.14 31.59 21.33 16.12 0.47 1.64 2.00 40 V C T 78.96 7.97 21.06 29.17 97.59 52.14 -83.57 -12.83 61.74 3.68 34.57 11.17 16.30 34.20 20.59 12.85 0.68 1.81 2.40 41 G C T 31.96 10.07 19.17 29.29 100.57 -70.86 80.42 -6.99 71.70 4.48 23.82 19.50 20.17 33.33 11.12 11.16 0.14 2.26 2.32 42 R C C 77.08 12.93 17.97 30.84 98.31 88.35 -90.40 -0.26 70.58 7.31 22.11 42.72 12.50 15.66 8.47 12.94 0.03 3.81 3.85 43 V C T 36.07 18.14 13.29 30.76 95.62 89.26 -73.49 -19.94 79.49 4.12 16.39 31.33 11.31 37.89 5.66 9.58 0.02 2.37 1.84 44 N C T 122.48 2.17 19.51 21.59 95.44 60.08 -86.68 -0.12 86.82 1.55 11.62 28.13 18.13 41.44 2.64 8.13 0.00 0.80 0.72 45 D C C 51.08 10.16 11.96 23.83 110.87 104.73 -87.44 116.80 97.94 0.84 1.22 63.13 34.30 0.45 1.04 0.19 0.00 0.19 0.70 46 P H H 96.26 3.05 15.73 20.08 92.00 -148.20 -60.31 -35.57 9.63 0.04 90.33 1.52 1.38 6.76 88.28 2.00 0.02 0.02 0.03 47 E H H 118.96 2.75 19.12 21.99 92.02 53.16 -65.56 -38.69 7.31 0.04 92.66 0.75 0.68 6.03 90.44 2.05 0.03 0.01 0.02 48 G H H 5.14 18.27 14.37 33.27 91.91 50.13 -65.82 -41.47 3.49 0.03 96.48 0.90 0.41 2.14 94.59 1.93 0.00 0.01 0.01 49 R H H 70.17 15.51 18.28 33.19 91.92 52.44 -62.65 -42.22 0.89 0.01 99.10 0.38 0.11 0.36 98.82 0.32 0.00 0.00 0.00 50 I H H 91.46 3.16 25.04 27.37 91.61 49.50 -63.94 -42.39 0.29 0.00 99.71 0.09 0.03 0.13 99.68 0.07 0.00 0.00 0.00 51 E H H 68.17 8.75 23.99 33.20 91.83 49.01 -64.62 -41.96 0.17 0.00 99.83 0.04 0.01 0.08 99.83 0.04 0.00 0.00 0.00 52 A H H 3.39 23.75 17.91 42.06 91.28 50.75 -63.43 -42.73 0.10 0.00 99.90 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 53 Q H H 64.69 12.64 24.13 36.22 91.45 51.10 -62.81 -42.30 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 54 Q H H 91.13 3.92 27.33 31.21 91.56 49.64 -64.35 -41.70 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.01 0.00 0.00 0.00 55 M H H 25.25 15.77 23.17 39.03 91.54 49.81 -64.09 -42.71 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.02 0.00 0.00 0.00 56 C H H 9.11 22.32 20.83 42.97 91.23 50.60 -63.67 -42.65 0.40 0.00 99.60 0.05 0.02 0.28 99.61 0.04 0.00 0.00 0.00 57 K H H 90.26 9.99 25.68 35.66 91.55 50.65 -63.55 -41.71 0.46 0.00 99.54 0.05 0.03 0.33 99.54 0.06 0.00 0.00 0.00 58 R H H 98.23 7.72 26.21 34.17 91.70 49.61 -64.36 -42.36 0.48 0.00 99.52 0.06 0.03 0.35 99.46 0.10 0.00 0.00 0.00 59 W H H 41.79 16.83 23.43 39.75 91.85 48.80 -64.81 -42.57 0.58 0.00 99.41 0.07 0.04 0.41 99.32 0.15 0.00 0.00 0.00 60 A H H 14.11 17.62 21.51 39.14 91.70 50.81 -63.67 -42.21 1.07 0.01 98.93 0.15 0.08 0.74 98.70 0.32 0.00 0.00 0.00 61 A H H 39.50 8.77 23.18 32.56 91.67 50.85 -64.66 -40.51 2.59 0.02 97.39 0.32 0.18 1.93 96.60 0.94 0.01 0.01 0.00 62 E H H 75.07 8.71 23.06 31.89 91.92 50.35 -66.16 -39.33 6.89 0.08 93.03 0.85 0.56 5.37 91.43 1.69 0.02 0.04 0.03 63 L H H 33.70 15.47 19.32 34.77 92.58 50.06 -68.33 -37.87 16.17 0.89 82.94 3.45 1.90 11.23 79.32 3.16 0.08 0.61 0.25 64 Y H H 70.44 13.14 18.48 31.65 93.31 52.80 -68.54 -35.19 27.94 6.39 65.68 9.49 4.38 14.94 58.11 6.47 0.30 5.08 1.22 65 W H H 116.25 7.44 17.56 25.73 94.16 54.72 -69.69 -32.59 30.43 18.48 51.09 13.57 4.97 12.37 43.44 7.50 0.33 15.47 2.36 66 T H H 61.90 8.05 14.94 24.01 96.30 51.93 -78.89 -21.73 33.21 24.93 41.86 16.21 6.21 11.95 35.51 6.17 0.45 20.61 2.88 67 Y C H 114.04 8.78 11.92 21.65 103.36 54.21 -83.92 20.50 41.08 21.86 37.06 16.84 9.57 16.38 30.32 5.94 0.84 16.73 3.37 68 K C T 148.09 2.49 14.11 17.55 99.65 43.69 -77.15 22.95 71.95 3.14 24.91 10.95 10.70 48.93 20.79 5.40 0.10 2.13 0.99 69 G C T 49.80 4.45 13.76 19.44 99.74 -67.84 80.80 1.90 80.59 2.39 17.02 14.56 14.93 51.27 11.72 5.15 0.03 1.62 0.72 70 E C C 99.20 6.36 15.25 22.77 102.42 101.48 -87.86 2.00 67.09 14.03 18.88 41.52 12.06 13.25 13.67 6.09 0.07 10.30 3.03 71 L C C 35.48 18.47 10.33 27.42 104.39 92.32 -86.02 36.18 54.46 14.16 31.38 38.02 7.49 8.92 19.39 12.36 0.07 10.51 3.23 72 D C C 98.78 3.66 17.95 22.23 96.11 76.41 -71.14 -27.04 56.95 8.50 34.56 23.98 13.20 20.47 20.29 13.91 0.08 6.68 1.38 73 T C C 67.28 6.43 18.36 25.44 107.70 44.77 -98.73 47.00 50.85 11.57 37.58 22.36 9.59 20.06 21.27 15.57 0.20 8.86 2.08 74 I H G 26.92 21.39 11.17 31.17 97.68 92.95 -72.45 -25.51 28.14 8.88 62.98 18.22 5.04 6.78 28.42 32.92 0.04 7.60 0.98 75 K H G 128.33 5.22 18.27 24.79 93.50 77.40 -66.93 -30.28 27.31 7.70 64.99 10.23 5.10 12.92 24.76 39.27 0.13 6.70 0.89 76 D H G 85.18 5.73 18.37 24.83 95.43 55.36 -84.13 -4.09 30.94 6.78 62.28 11.87 5.65 14.57 20.43 40.64 0.18 5.62 1.03 77 L C C 35.46 19.32 12.40 30.96 106.42 100.06 -80.30 94.02 59.26 10.59 30.15 39.97 11.82 7.69 18.61 11.79 0.05 7.74 2.35 78 R C C 125.60 7.44 21.89 29.77 110.51 -161.75 -90.22 113.41 59.27 22.63 18.10 42.31 9.14 6.63 14.01 4.95 0.10 15.82 7.05 79 V C C 33.06 19.95 13.66 32.79 114.92 -159.40 -99.42 125.20 67.98 19.41 12.61 53.16 9.29 4.34 10.18 3.16 0.02 14.58 5.28 80 H C C 73.19 7.60 19.97 28.26 130.58 174.84 -120.45 160.52 75.83 11.83 12.35 63.45 7.93 3.91 8.50 4.05 0.00 8.08 4.08 81 A C G 61.58 11.03 14.19 25.71 93.55 -107.03 -63.18 -27.28 49.41 2.60 47.99 8.67 8.68 31.63 8.12 40.30 0.02 1.88 0.70 82 D C G 108.76 2.71 18.24 21.33 95.46 59.30 -85.19 -7.13 53.15 1.88 44.96 7.96 7.94 36.39 6.50 39.35 0.01 1.34 0.51 83 M C G 52.42 15.52 14.53 29.79 102.86 65.27 -93.36 7.22 53.46 4.53 42.01 25.10 14.48 14.46 5.16 36.71 0.02 2.60 1.47 84 Y C C 78.85 14.69 16.73 31.42 117.18 138.70 -101.22 127.36 94.21 4.38 1.42 54.63 38.34 1.73 0.68 0.68 0.00 1.97 1.98 85 P C C 28.27 17.09 14.15 31.37 112.57 -113.46 -68.42 143.52 94.15 3.46 2.40 75.25 10.72 8.11 0.84 1.51 0.00 2.07 1.49 86 T C S 98.42 4.31 18.75 24.29 99.10 -161.08 -92.90 -17.07 95.65 1.64 2.70 35.38 52.63 7.74 1.42 1.17 0.00 0.68 0.99 87 T C S 63.76 5.32 20.32 26.33 120.66 52.42 -120.51 127.66 95.62 1.29 3.09 40.42 53.64 1.54 2.68 0.49 0.00 0.37 0.87 88 P H H 40.67 18.73 13.87 32.09 92.79 -140.62 -62.10 -29.69 30.77 0.40 68.83 7.73 4.19 18.70 59.31 9.61 0.05 0.23 0.19 89 Q H H 96.51 8.13 20.86 29.52 92.27 64.28 -65.90 -31.31 25.71 0.54 73.74 5.68 3.06 16.72 65.52 8.39 0.06 0.37 0.20 90 N H H 45.59 10.37 20.61 31.83 92.57 53.81 -69.92 -31.88 17.69 1.04 81.27 9.68 3.13 6.30 70.96 8.88 0.03 0.76 0.27 91 V H H 9.22 22.91 19.48 41.81 92.43 57.84 -63.48 -43.22 7.78 1.00 91.22 4.72 1.34 2.59 87.08 3.25 0.02 0.86 0.15 92 Y H H 38.76 19.51 22.82 41.03 91.74 51.31 -63.63 -42.06 5.20 1.51 93.28 2.79 0.84 2.12 89.50 3.03 0.02 1.57 0.13 93 R H H 103.85 8.79 26.76 35.92 91.75 50.54 -64.24 -41.19 4.19 1.29 94.52 1.93 0.61 1.98 90.64 3.32 0.02 1.41 0.09 94 A H H 14.87 16.21 23.58 39.71 92.01 50.27 -65.12 -41.30 5.49 1.14 93.37 1.94 0.72 3.05 88.85 4.12 0.03 1.18 0.11 95 C H H 6.60 23.52 22.58 45.23 92.67 48.95 -67.24 -39.66 11.82 1.32 86.86 2.93 1.42 7.80 82.12 4.23 0.08 1.21 0.22 96 L H H 41.92 16.73 23.70 39.27 93.62 51.75 -69.79 -31.93 23.47 1.67 74.86 5.47 3.36 15.48 69.38 4.39 0.20 1.21 0.50 97 A H H 46.40 9.92 22.99 33.01 95.44 61.98 -72.35 -19.80 47.94 1.73 50.33 7.84 6.08 33.26 47.01 3.98 0.17 0.99 0.66 98 G C T 24.28 14.12 19.94 33.22 101.32 40.43 -67.39 -4.07 65.37 2.10 32.52 16.11 8.73 39.58 29.35 4.23 0.06 1.22 0.72 99 V C C 35.99 17.97 15.82 33.08 110.67 96.68 -89.44 117.93 64.99 7.30 27.71 41.87 13.83 9.37 24.27 3.97 0.05 4.60 2.04 100 R C C 115.41 8.73 17.45 26.76 111.83 -157.03 -87.55 126.35 64.37 10.07 25.55 49.45 7.09 7.34 21.08 5.13 0.02 7.46 2.42 101 R C C 122.69 9.13 13.40 23.36 107.88 -142.97 -84.98 117.96 61.32 10.04 28.64 41.77 9.36 10.05 18.99 9.95 0.04 7.66 2.19 102 Q C C 104.05 6.66 11.63 19.69 109.26 73.59 -88.41 111.21 64.56 9.42 26.02 39.79 11.10 14.20 14.80 10.88 0.05 7.26 1.92 103 K C C 138.53 3.98 11.75 17.46 108.83 -147.82 -90.58 98.30 78.03 5.13 16.85 64.09 2.52 12.75 9.52 5.80 0.00 3.77 1.56 104 F C C 107.34 9.82 11.34 21.82 111.21 -151.30 -95.10 114.51 99.84 0.10 0.06 99.63 0.14 0.12 0.03 0.01 0.00 0.05 0.01