# 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 95.37 9.73 14.04 24.45 117.00 -152.63 -100.38 135.01 99.21 0.71 0.08 99.00 0.30 0.12 0.04 0.01 0.00 0.41 0.13 1 A C C 63.64 6.46 12.95 20.71 117.92 -138.64 -90.36 146.03 87.66 7.04 5.30 81.79 2.08 4.23 2.10 2.62 0.00 4.17 3.01 2 A C C 73.07 5.59 12.21 19.32 110.41 -103.30 -72.45 140.57 82.28 6.88 10.84 45.66 14.21 23.13 2.95 7.39 0.01 4.16 2.50 3 G C C 44.27 6.71 12.25 20.12 107.64 24.74 77.23 7.14 82.09 6.25 11.66 42.76 16.74 23.30 2.93 8.25 0.01 3.34 2.65 4 H C C 118.97 6.23 11.86 19.39 110.43 108.23 -87.50 119.32 74.99 8.30 16.71 36.07 18.11 22.10 5.24 10.43 0.06 4.17 3.81 5 G C C 51.47 4.43 12.79 18.44 104.46 7.38 66.81 12.29 78.61 5.21 16.18 36.89 19.96 22.97 5.59 9.54 0.03 2.53 2.49 6 H C C 118.39 5.34 11.10 18.04 110.31 112.15 -90.65 111.53 70.69 6.01 23.30 37.68 16.96 17.02 9.64 12.77 0.06 2.99 2.89 7 E C C 130.92 3.81 12.00 17.29 106.33 -125.81 -84.80 82.41 70.60 5.87 23.54 35.75 15.53 20.55 9.16 13.21 0.06 2.98 2.76 8 H C C 119.20 5.57 10.68 17.74 109.02 105.67 -93.54 90.89 71.91 5.59 22.50 34.10 16.48 22.66 7.75 13.42 0.05 2.70 2.83 9 G C C 47.09 4.94 12.18 18.53 110.88 -49.87 69.75 -148.16 76.69 4.00 19.31 31.62 19.10 27.28 4.88 13.15 0.02 1.92 2.03 10 H C C 127.34 4.67 11.78 17.93 105.26 4.13 -89.89 42.58 75.26 4.73 20.01 31.58 19.27 25.80 4.69 14.01 0.03 2.30 2.32 11 E C C 119.17 5.35 12.22 18.94 105.02 74.54 -83.28 53.70 75.56 5.59 18.85 37.40 18.29 20.85 4.44 13.52 0.02 2.73 2.75 12 H C C 116.80 6.36 11.31 19.02 108.85 143.76 -87.65 95.76 80.88 5.51 13.61 38.02 16.86 26.99 3.19 9.57 0.01 2.74 2.61 13 G C C 47.20 5.22 12.75 19.32 110.88 -160.70 25.54 107.86 86.10 4.64 9.27 40.93 19.54 26.06 1.94 7.07 0.01 2.30 2.15 14 H C C 120.28 5.80 11.38 18.67 110.45 133.43 -95.00 109.04 86.31 6.13 7.56 44.51 22.42 19.79 1.76 5.55 0.01 2.87 3.10 15 G C C 47.39 4.89 12.14 18.55 112.02 6.05 97.17 96.19 90.87 4.49 4.64 45.01 26.26 19.68 0.91 3.85 0.00 2.18 2.10 16 H C C 128.37 4.86 11.01 17.48 108.92 -52.96 -91.41 80.32 89.50 4.35 6.16 49.61 24.67 15.11 1.29 5.02 0.00 2.06 2.24 17 G C C 48.17 4.07 12.31 17.72 117.27 -114.58 63.85 164.77 91.62 2.99 5.39 51.81 25.06 14.47 0.89 4.94 0.00 1.58 1.25 18 K C C 153.60 2.39 13.34 16.93 107.47 -56.48 -86.02 93.64 90.21 5.14 4.65 60.03 20.12 9.71 0.83 4.30 0.00 3.22 1.80 19 M C C 75.81 12.34 9.26 21.80 116.69 -143.93 -94.08 134.68 82.97 15.26 1.76 72.73 7.64 1.79 0.53 1.33 0.00 10.96 5.02 20 E C C 136.82 2.59 18.39 21.68 117.00 -145.75 -97.00 134.53 74.64 24.74 0.62 69.78 4.05 0.57 0.26 0.40 0.00 13.28 11.66 21 L C C 66.42 15.95 11.95 27.37 116.41 -120.21 -83.10 135.45 94.67 5.27 0.07 91.27 3.63 0.12 0.03 0.03 0.00 3.90 1.01 22 P C C 35.99 13.71 12.44 27.12 115.70 -108.08 -65.72 150.66 98.50 1.37 0.12 95.54 2.91 0.29 0.04 0.05 0.00 0.71 0.47 23 D C C 85.68 3.62 18.25 22.36 108.07 -114.36 -81.07 115.98 98.61 0.96 0.43 97.25 1.21 0.31 0.13 0.16 0.00 0.30 0.64 24 Y H G 88.95 14.85 9.20 23.96 93.24 -159.39 -67.71 -19.55 42.23 0.70 57.07 8.42 5.55 26.73 3.14 55.52 0.00 0.42 0.22 25 R H G 174.23 1.82 14.52 17.17 91.24 69.27 -70.17 -17.03 41.71 0.93 57.36 4.43 5.79 30.10 3.01 55.81 0.01 0.57 0.29 26 Q H G 114.46 3.36 14.18 18.47 96.75 56.65 -84.45 -14.98 36.66 3.06 60.28 9.98 8.94 19.29 3.05 55.99 0.01 2.09 0.64 27 W C C 72.27 14.90 9.47 24.13 122.71 74.93 -109.40 139.22 79.54 12.19 8.27 60.85 15.18 3.60 2.71 5.59 0.02 8.44 3.60 28 K C C 134.18 3.41 17.93 22.67 119.06 -162.03 -114.14 129.23 79.47 18.35 2.18 74.91 3.06 1.29 0.97 1.12 0.00 13.50 5.16 29 I C C 44.66 17.16 9.52 25.96 110.60 -163.47 -101.63 102.58 78.02 19.34 2.64 72.58 3.01 1.71 1.19 1.42 0.00 14.06 6.04 30 E C T 139.74 2.28 14.30 18.00 115.48 155.76 -85.23 138.33 88.69 9.42 1.89 28.89 9.90 51.03 0.54 1.17 0.00 6.88 1.58 31 G C T 64.93 0.72 16.03 15.16 95.43 14.85 78.69 4.03 97.53 1.35 1.13 12.58 23.07 61.97 0.17 0.97 0.00 0.92 0.32 32 T C C 28.36 16.25 7.72 23.33 119.80 128.77 -94.99 142.88 97.20 1.59 1.20 66.89 28.71 1.40 0.61 0.53 0.00 0.54 1.31 33 P C T 85.16 4.40 18.44 23.49 93.11 -122.44 -63.91 -20.18 93.13 0.67 6.20 8.00 10.93 74.46 3.74 2.12 0.00 0.34 0.40 34 L C T 34.20 16.71 12.00 28.71 98.35 54.83 -97.64 20.10 92.18 0.35 7.46 17.48 6.15 68.96 5.03 2.00 0.00 0.17 0.21 35 E H H 87.65 7.89 15.36 24.90 93.35 124.07 -60.54 -40.03 5.92 0.06 94.01 3.57 0.97 1.60 93.05 0.75 0.00 0.03 0.02 36 T H H 84.13 2.06 20.73 21.68 91.59 52.21 -64.26 -40.01 1.92 0.03 98.05 0.78 0.25 0.85 97.62 0.48 0.00 0.02 0.01 37 V H H 24.86 13.52 17.06 31.60 92.12 48.99 -65.60 -41.67 0.91 0.02 99.07 0.34 0.12 0.43 98.66 0.44 0.00 0.01 0.00 38 Q H H 35.83 16.31 15.33 31.72 91.68 52.58 -62.37 -42.19 0.58 0.01 99.41 0.19 0.07 0.27 99.29 0.18 0.00 0.01 0.00 39 K H H 121.02 2.32 22.29 23.68 91.60 50.17 -64.07 -41.28 0.76 0.01 99.23 0.15 0.07 0.46 99.20 0.12 0.00 0.00 0.00 40 K H H 96.95 3.90 20.38 24.36 91.59 49.83 -64.98 -40.65 0.93 0.01 99.06 0.14 0.09 0.61 98.97 0.18 0.00 0.00 0.00 41 L H H 12.51 16.56 12.64 30.32 91.47 50.27 -64.45 -41.39 1.26 0.01 98.72 0.24 0.14 0.79 98.37 0.45 0.00 0.01 0.00 42 A H H 49.59 8.44 14.37 24.02 91.82 51.86 -63.43 -39.69 2.31 0.02 97.68 0.28 0.16 1.75 96.31 1.48 0.00 0.01 0.00 43 A H H 90.14 1.01 15.96 16.07 90.53 54.36 -66.08 -27.32 11.02 0.03 88.95 0.36 0.43 10.79 87.18 1.18 0.03 0.01 0.02 44 R C T 137.96 4.06 13.37 18.79 93.57 50.63 -90.03 2.08 78.63 0.06 21.32 0.44 1.70 76.19 20.44 1.14 0.01 0.02 0.07 45 G C T 55.91 1.72 17.11 18.56 96.90 -106.99 82.57 11.64 99.61 0.03 0.37 1.98 1.94 95.83 0.14 0.09 0.00 0.01 0.01 46 L C C 42.28 16.18 9.19 24.92 110.70 136.85 -91.58 112.49 98.56 0.55 0.89 95.41 2.02 1.28 0.29 0.40 0.00 0.23 0.37 47 R C C 156.12 4.15 18.19 23.19 101.05 170.87 -97.03 -12.11 98.53 0.70 0.77 79.34 16.75 2.31 0.27 0.46 0.00 0.26 0.62 48 D C C 45.16 11.54 14.77 27.60 108.43 96.73 -91.76 112.18 99.24 0.53 0.23 73.54 25.19 0.42 0.12 0.07 0.00 0.13 0.53 49 P H H 66.29 8.68 17.68 27.92 92.19 -159.10 -62.49 -30.69 28.89 0.16 70.96 2.20 2.95 21.52 45.13 27.89 0.12 0.07 0.12 50 W H H 97.83 11.29 19.53 30.90 92.05 59.33 -66.00 -38.26 20.54 0.10 79.36 0.97 1.39 16.64 48.71 32.10 0.09 0.05 0.06 51 A H H 15.61 17.32 17.40 34.83 92.78 50.26 -67.64 -38.02 12.70 0.15 87.15 1.40 1.24 8.49 53.42 35.27 0.04 0.09 0.05 52 R H H 82.07 14.13 20.43 33.90 92.13 53.48 -66.40 -36.43 16.17 0.25 83.59 2.31 1.88 10.16 54.33 31.00 0.07 0.13 0.11 53 N H T 51.44 12.40 22.08 34.56 94.84 48.31 -82.67 -19.49 47.71 0.79 51.51 5.75 5.72 34.10 31.48 21.79 0.17 0.39 0.60 54 E C C 39.42 15.26 21.57 36.76 96.63 58.17 -87.08 -3.96 54.99 5.95 39.06 25.28 6.95 22.79 21.61 16.45 0.09 1.80 5.04 55 A H G 12.26 19.45 18.64 38.23 92.42 98.43 -59.27 -40.79 9.43 0.17 90.40 1.59 1.06 6.26 30.11 60.82 0.00 0.12 0.03 56 W H G 78.07 12.91 20.66 33.76 91.44 53.01 -67.03 -29.14 7.09 0.11 92.80 0.75 0.66 5.40 30.36 62.72 0.00 0.09 0.01 57 R H G 89.31 10.85 19.89 30.99 92.69 55.85 -70.94 -28.01 8.15 0.20 91.65 1.35 1.02 5.42 31.09 60.93 0.01 0.15 0.03 58 Y H H 65.57 14.91 16.11 30.81 96.45 55.83 -85.59 -14.51 36.40 4.37 59.24 13.40 9.65 14.87 29.05 28.38 0.48 2.19 1.98 59 M C T 82.54 10.57 15.01 26.05 104.27 72.29 -87.80 41.64 68.18 5.60 26.22 22.33 23.13 23.99 16.67 7.96 0.29 2.26 3.37 60 G C T 50.23 4.43 15.63 21.06 102.10 -61.61 75.50 2.40 82.80 1.32 15.88 17.33 20.61 45.27 5.84 9.42 0.02 0.63 0.90 61 G C T 47.06 5.22 14.52 20.91 106.28 -39.60 81.20 -17.69 81.91 1.73 16.36 22.83 21.10 38.68 4.51 10.99 0.01 0.81 1.06 62 F C C 105.77 9.82 11.66 22.01 102.11 68.86 -88.23 4.75 76.93 4.19 18.88 36.27 19.16 22.60 5.70 11.91 0.03 1.88 2.44 63 A C C 65.77 6.77 12.26 20.34 106.74 93.85 -86.15 64.45 81.85 2.78 15.37 37.08 18.74 26.90 5.04 9.42 0.01 1.33 1.48 64 G C T 50.37 3.58 14.20 18.83 112.67 35.85 93.61 -45.09 85.17 1.84 12.99 28.17 26.25 31.64 4.06 7.97 0.01 0.85 1.05 65 N C C 116.96 3.09 13.64 17.71 105.77 -25.15 -90.74 41.68 81.97 3.78 14.25 46.83 19.93 15.67 6.85 6.94 0.02 1.80 1.97 66 I C C 76.02 10.35 10.24 21.48 115.06 107.08 -94.27 127.90 79.51 7.49 13.00 58.30 13.98 6.45 9.95 3.70 0.01 3.91 3.72 67 T C C 68.98 4.96 14.45 20.65 120.92 -161.62 -97.97 160.95 67.79 10.85 21.36 50.41 12.48 4.20 19.22 2.53 0.04 3.93 7.18 68 F H H 123.62 6.01 13.42 20.72 94.22 -100.63 -61.48 -38.28 14.45 0.64 84.90 3.91 3.25 8.86 75.90 7.08 0.35 0.37 0.28 69 P H H 76.28 4.81 15.34 20.82 92.72 52.76 -65.03 -38.57 11.37 0.32 88.30 1.75 1.56 8.44 78.89 8.73 0.30 0.20 0.13 70 S H H 44.02 8.09 14.64 24.10 93.56 49.76 -69.67 -37.32 10.80 0.27 88.93 1.36 1.42 8.22 78.60 9.85 0.28 0.16 0.12 71 V H H 55.63 10.31 14.70 25.83 96.30 45.86 -73.85 -39.11 22.70 0.45 76.86 1.52 2.83 18.85 68.63 6.96 0.71 0.21 0.29 72 I H H 85.59 6.93 16.96 24.32 97.06 40.41 -78.43 -36.08 47.03 1.05 51.92 2.65 6.06 37.50 46.78 4.80 0.99 0.45 0.78 73 L C H 78.54 7.22 16.59 24.25 98.50 44.16 -84.76 -25.84 53.51 2.66 43.83 11.78 13.57 29.83 35.01 6.01 0.91 1.05 1.84 74 K C T 94.52 8.66 17.52 26.83 97.63 73.55 -66.31 -32.49 65.71 0.77 33.51 3.91 5.29 54.24 30.73 4.73 0.17 0.36 0.57 75 G C T 22.94 12.71 17.19 29.96 96.77 34.26 -66.06 -12.74 56.69 0.28 43.03 4.09 4.21 46.69 40.03 4.56 0.08 0.12 0.22 76 F H H 70.33 13.89 16.86 30.79 93.09 88.12 -63.01 -41.14 9.32 0.09 90.59 4.23 1.63 4.03 87.96 2.06 0.01 0.04 0.05 77 K H H 114.15 5.17 21.64 26.77 92.23 51.13 -64.41 -40.76 3.94 0.04 96.02 1.08 0.47 2.33 95.03 1.04 0.01 0.02 0.01 78 W H H 117.91 6.47 22.10 28.79 92.15 48.19 -66.29 -41.06 1.75 0.02 98.24 0.40 0.18 1.07 97.74 0.60 0.00 0.01 0.00 79 G H H 9.59 16.98 17.70 35.10 91.64 51.76 -63.76 -42.83 0.50 0.00 99.50 0.11 0.04 0.26 99.48 0.11 0.00 0.00 0.00 80 F H H 78.78 10.58 22.09 32.70 91.76 50.36 -63.75 -42.44 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 81 A H H 50.98 4.48 23.80 27.97 91.21 49.99 -63.85 -42.30 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 82 A H H 32.55 10.52 21.72 32.80 91.76 50.28 -64.68 -42.22 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 83 F H H 48.36 16.18 20.94 36.53 91.94 50.12 -64.03 -42.43 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 84 V H H 67.90 7.29 23.84 31.23 91.59 50.37 -63.60 -42.71 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 85 V H H 73.47 4.92 24.40 28.97 91.61 48.52 -64.11 -42.54 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 86 A H H 23.26 13.04 20.47 34.13 91.78 49.77 -64.22 -42.63 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 87 L H H 48.46 12.07 20.86 33.18 91.67 49.80 -63.75 -42.61 0.11 0.00 99.89 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 88 G H H 31.56 4.60 21.51 26.08 91.41 50.42 -63.48 -42.58 0.23 0.00 99.77 0.01 0.01 0.18 99.76 0.04 0.00 0.00 0.00 89 A H H 44.77 5.45 19.89 25.99 91.45 50.16 -64.41 -42.12 0.34 0.00 99.66 0.03 0.02 0.25 99.58 0.13 0.00 0.00 0.00 90 E H H 54.05 10.67 16.74 28.47 92.07 50.46 -65.13 -40.72 0.59 0.00 99.41 0.06 0.03 0.44 99.13 0.34 0.00 0.00 0.00 91 Y H H 105.03 6.71 16.60 24.35 91.84 50.66 -64.48 -40.26 1.46 0.00 98.54 0.14 0.08 1.13 97.98 0.66 0.00 0.00 0.00 92 F H H 125.98 2.97 16.34 19.33 92.71 49.60 -66.21 -38.41 4.68 0.01 95.30 0.40 0.30 3.80 94.53 0.95 0.01 0.01 0.00 93 L H H 95.52 4.28 14.61 19.80 94.10 48.98 -72.83 -30.24 16.74 0.10 83.16 1.74 1.90 13.15 81.55 1.51 0.05 0.04 0.06 94 D H H 79.15 6.29 12.39 19.98 100.01 48.49 -90.20 -5.71 43.93 0.78 55.29 11.92 9.51 24.10 50.97 2.63 0.11 0.28 0.48 95 S C C 63.74 5.26 11.51 18.34 102.81 102.62 -78.34 0.96 62.03 1.73 36.24 35.93 9.78 16.76 28.04 7.74 0.02 0.80 0.94 96 Q C C 120.87 3.66 11.87 16.91 102.38 80.30 -82.35 15.17 70.10 2.11 27.79 36.31 13.75 20.31 18.78 8.68 0.02 0.97 1.18 97 N C C 95.68 5.16 10.32 16.95 104.55 90.45 -89.53 31.38 78.91 1.81 19.29 46.32 17.12 15.44 11.41 7.71 0.01 0.75 1.24 98 G C C 46.42 4.43 10.80 16.75 105.38 -111.32 50.63 -23.93 77.82 1.20 20.98 34.60 16.39 27.58 7.37 12.74 0.01 0.52 0.77 99 D C C 106.18 2.85 10.19 14.37 103.78 48.13 -84.87 18.05 75.64 1.38 22.99 30.45 17.06 28.97 6.81 15.20 0.01 0.61 0.87 100 K C C 135.03 3.36 9.40 14.42 103.70 105.23 -83.59 25.18 71.72 1.85 26.43 35.33 17.86 19.06 7.20 18.60 0.01 0.86 1.07 101 K C C 138.44 3.14 9.28 14.08 105.89 86.67 -86.98 47.33 76.69 2.32 20.99 43.39 14.48 19.09 5.91 14.77 0.01 1.17 1.18 102 H C C 128.61 4.06 8.40 14.14 106.83 97.11 -90.11 58.95 84.39 2.07 13.55 67.48 4.45 13.47 4.17 8.18 0.00 1.19 1.05 103 H C C 124.04 4.95 10.65 17.15 107.56 101.84 -91.27 81.25 99.48 0.24 0.27 98.86 0.35 0.42 0.08 0.09 0.00 0.13 0.06