# 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 102.93 7.57 12.28 21.09 114.85 -160.02 -93.40 130.84 99.90 0.08 0.01 99.82 0.10 0.03 0.00 0.00 0.00 0.04 0.01 1 K C C 134.11 3.96 11.53 17.33 114.27 -147.99 -94.94 129.10 93.49 1.75 4.76 89.83 1.08 3.65 1.94 1.72 0.00 0.94 0.83 2 H C C 116.39 6.28 9.87 17.73 113.49 -153.03 -93.22 127.80 88.11 2.39 9.51 67.39 10.39 10.35 3.44 5.94 0.00 1.37 1.12 3 H C C 118.54 5.66 11.05 18.29 108.61 -158.38 -91.64 93.89 82.59 2.14 15.28 57.65 12.45 12.26 5.21 10.25 0.00 1.19 1.00 4 H C C 113.45 6.43 11.50 19.35 110.71 72.78 -93.45 114.44 78.14 1.96 19.90 51.34 13.23 13.11 6.99 13.31 0.00 1.04 0.97 5 H C C 109.60 7.14 12.04 20.48 109.81 72.29 -92.53 108.59 77.36 2.08 20.57 50.26 13.15 13.47 7.60 13.39 0.00 1.11 1.02 6 H C C 110.82 7.10 12.75 21.09 108.92 71.92 -91.52 98.48 79.07 2.62 18.31 52.47 13.47 12.81 7.27 11.28 0.00 1.42 1.26 7 H C C 105.31 8.00 12.72 21.86 109.91 70.67 -94.00 106.46 82.63 3.22 14.15 59.34 11.93 11.11 6.24 8.03 0.00 1.80 1.54 8 H C C 112.72 7.45 13.17 21.80 108.45 85.75 -92.63 85.53 85.68 2.94 11.38 51.93 13.54 20.56 4.63 6.37 0.00 1.69 1.29 9 G C C 42.32 7.29 14.07 22.35 113.11 23.38 75.97 148.04 87.36 2.74 9.90 44.20 19.48 24.30 3.23 6.15 0.00 1.46 1.16 10 A C C 65.77 7.65 13.38 22.08 111.14 -31.07 -88.96 124.92 84.64 4.39 10.96 57.22 14.85 12.48 3.73 7.26 0.00 2.49 1.97 11 A C C 64.34 8.17 13.19 22.41 112.06 -144.38 -88.46 124.55 84.73 4.22 11.04 45.16 16.92 23.23 3.62 7.01 0.01 2.53 1.53 12 G C C 42.14 7.70 14.03 22.65 115.95 -56.59 107.28 159.26 85.21 3.77 11.02 40.66 21.75 23.55 3.66 6.85 0.01 2.20 1.34 13 T C C 81.33 7.59 13.91 22.63 113.68 -137.77 -97.61 128.14 79.41 6.44 14.15 55.97 15.02 8.43 6.97 7.24 0.01 4.02 2.35 14 S C C 61.89 8.18 14.07 23.35 115.13 -147.28 -96.86 131.24 73.32 8.63 18.05 53.34 11.49 8.24 9.69 8.60 0.01 6.16 2.46 15 L C C 84.57 9.90 13.89 24.54 111.08 -155.83 -94.60 116.70 65.29 10.51 24.20 40.49 14.18 11.03 13.82 10.40 0.05 7.64 2.40 16 Y C C 103.10 10.96 13.02 24.68 116.71 -158.93 -100.03 129.75 64.11 12.45 23.44 40.97 13.09 10.22 14.36 9.29 0.05 9.32 2.69 17 K C C 121.56 6.22 14.95 22.60 116.10 -152.31 -98.03 136.42 67.62 11.53 20.85 46.56 11.85 8.77 13.91 7.49 0.03 8.72 2.67 18 K C C 111.48 7.87 13.92 22.87 115.40 -119.55 -87.58 137.86 69.49 9.91 20.61 46.21 12.02 10.68 14.61 6.66 0.03 6.75 3.05 19 A C T 61.33 9.30 12.90 22.96 106.10 -101.81 -70.83 128.86 71.74 4.31 23.95 21.38 13.38 37.24 15.03 8.69 0.07 2.68 1.54 20 G C T 45.20 6.95 15.14 22.58 104.28 18.72 81.18 -9.05 73.83 2.74 23.43 20.43 15.87 38.20 13.25 9.51 0.05 1.55 1.15 21 E C C 101.59 8.03 14.35 23.29 106.56 91.42 -85.95 46.41 64.02 5.26 30.72 35.45 14.61 14.47 19.04 11.49 0.05 3.18 1.72 22 N C C 78.77 9.82 15.18 25.55 108.25 80.19 -90.22 102.07 56.40 10.98 32.62 34.22 10.46 12.14 21.01 11.61 0.08 7.96 2.52 23 L C C 65.11 12.85 15.01 28.06 107.99 153.86 -90.45 99.01 41.27 19.84 38.89 25.28 8.05 9.06 24.57 13.82 0.15 16.45 2.62 24 Y C H 100.17 10.94 16.99 28.27 107.12 74.01 -90.73 60.38 39.74 25.25 35.01 21.73 8.60 10.99 22.65 11.73 0.26 21.27 2.77 25 F C C 72.40 13.91 14.36 28.19 108.16 50.04 -97.97 85.35 46.36 24.27 29.37 28.84 8.28 9.84 19.96 9.29 0.15 20.58 3.06 26 Q C C 92.82 9.03 15.48 25.28 108.71 114.42 -85.59 99.59 58.03 16.83 25.15 31.81 10.79 15.63 20.44 4.93 0.13 13.84 2.42 27 G C C 39.93 5.89 17.13 23.71 107.83 27.02 22.85 -53.20 68.66 6.65 24.69 28.20 18.30 23.12 18.06 6.20 0.09 4.63 1.41 28 S C C 54.47 7.99 16.65 25.35 102.62 27.99 -77.85 -10.65 58.78 5.02 36.20 29.55 14.99 15.31 26.44 9.00 0.10 3.13 1.49 29 M C H 52.10 16.33 12.45 27.91 99.94 63.36 -78.28 -12.03 49.06 6.24 44.70 26.51 12.16 12.36 33.05 9.98 0.17 3.84 1.92 30 K H H 113.89 6.46 16.39 23.81 99.87 75.98 -73.83 -30.24 42.38 5.22 52.40 24.35 8.93 10.48 39.64 11.59 0.12 3.29 1.60 31 A H H 65.17 5.13 15.92 21.93 98.85 55.57 -72.23 -21.91 48.39 2.17 49.44 18.37 12.79 18.25 37.35 11.07 0.13 1.19 0.85 32 D C C 60.17 10.89 14.34 25.83 101.79 51.39 -89.69 29.56 58.79 1.18 40.03 36.53 8.95 13.25 33.04 7.07 0.01 0.57 0.58 33 Y H H 115.31 9.89 14.52 25.07 94.72 118.31 -65.24 -38.07 10.06 0.13 89.82 4.98 2.15 3.71 87.05 1.98 0.01 0.06 0.06 34 K H H 140.45 1.64 20.30 20.86 92.69 53.04 -65.00 -40.06 5.98 0.09 93.93 2.15 0.94 3.18 91.89 1.73 0.01 0.05 0.04 35 K H H 72.44 11.18 18.68 30.13 92.62 49.57 -66.25 -40.56 5.01 0.13 94.86 2.17 0.72 2.47 92.79 1.73 0.01 0.07 0.04 36 I H H 16.94 20.31 16.21 36.31 91.65 51.15 -63.59 -42.76 2.44 0.04 97.52 1.01 0.34 1.12 96.93 0.57 0.00 0.02 0.01 37 N H H 75.07 6.06 22.88 29.24 91.57 51.43 -63.56 -40.53 2.01 0.02 97.97 0.69 0.23 0.95 97.87 0.25 0.00 0.01 0.01 38 S H H 47.99 5.73 23.77 29.77 91.80 50.84 -64.63 -41.72 1.81 0.01 98.17 0.55 0.19 0.98 98.04 0.23 0.00 0.00 0.01 39 I H H 6.26 23.11 19.89 42.85 91.40 49.85 -64.04 -43.62 0.69 0.00 99.31 0.18 0.06 0.37 99.26 0.12 0.00 0.00 0.00 40 L H H 29.09 17.53 21.72 38.66 91.45 50.55 -63.04 -42.03 0.32 0.00 99.68 0.08 0.02 0.17 99.67 0.06 0.00 0.00 0.00 41 T H H 77.89 3.00 26.62 28.97 91.69 50.33 -64.51 -41.40 0.44 0.00 99.56 0.07 0.03 0.28 99.57 0.06 0.00 0.00 0.00 42 Y H H 45.62 14.79 22.71 37.32 91.79 49.43 -65.01 -42.02 0.46 0.00 99.54 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 43 T H H 2.74 25.84 18.94 44.88 91.39 50.21 -63.89 -42.31 0.31 0.00 99.69 0.05 0.02 0.18 99.70 0.04 0.00 0.00 0.00 44 S H H 44.61 10.43 23.79 34.22 91.32 51.63 -63.16 -40.92 0.57 0.00 99.42 0.06 0.04 0.41 99.37 0.12 0.00 0.00 0.00 45 T H H 64.49 4.47 26.22 30.60 91.77 49.57 -64.76 -41.59 0.89 0.00 99.11 0.08 0.07 0.71 98.67 0.46 0.01 0.00 0.00 46 A H H 4.95 21.45 18.58 40.31 91.74 50.40 -64.66 -40.61 1.30 0.00 98.70 0.06 0.06 1.13 97.40 1.36 0.00 0.00 0.00 47 L H H 20.07 20.64 17.71 38.06 91.13 54.39 -68.02 -26.47 16.81 0.01 83.18 0.24 0.33 17.35 80.27 1.80 0.01 0.00 0.00 48 K C T 139.66 2.88 22.45 25.63 92.89 56.75 -86.02 -6.03 68.56 0.02 31.41 1.00 1.67 65.81 29.70 1.78 0.00 0.01 0.02 49 N C C 33.00 15.18 11.11 27.24 110.12 108.76 -77.52 122.48 99.66 0.16 0.18 58.52 40.94 0.18 0.14 0.03 0.00 0.03 0.17 50 P H H 96.63 2.93 16.99 20.96 92.04 -149.49 -60.89 -32.17 22.59 0.03 77.38 0.73 1.79 20.10 64.76 12.51 0.07 0.01 0.03 51 K H H 112.52 5.33 18.07 24.37 91.92 57.71 -67.42 -34.48 18.68 0.02 81.31 0.28 0.79 18.19 66.06 14.60 0.05 0.01 0.02 52 I H H 6.13 23.19 11.59 34.66 95.70 44.53 -74.02 -34.81 9.67 0.02 90.31 0.24 0.45 8.90 71.28 19.09 0.02 0.01 0.01 53 I H H 67.18 12.81 15.03 28.16 91.40 58.71 -67.07 -26.85 17.22 0.03 82.75 0.65 0.84 15.11 66.91 16.43 0.03 0.01 0.02 54 K C T 153.69 1.41 20.57 20.74 93.25 57.22 -81.42 -12.01 64.54 0.11 35.35 1.95 3.75 59.98 24.07 10.02 0.03 0.05 0.15 55 D C C 35.77 15.32 11.05 26.78 108.62 92.80 -91.25 109.08 99.53 0.28 0.19 88.85 10.42 0.16 0.15 0.03 0.00 0.06 0.33 56 K H H 137.15 3.63 17.95 23.33 92.88 -165.50 -63.85 -34.61 1.97 0.00 98.03 0.13 0.20 1.52 97.85 0.29 0.00 0.00 0.00 57 D H H 70.37 8.75 20.71 29.79 92.11 54.19 -64.99 -39.77 1.10 0.00 98.90 0.03 0.05 1.04 98.57 0.30 0.00 0.00 0.00 58 L H H 4.24 24.40 17.05 41.63 91.98 47.68 -65.40 -42.35 0.26 0.00 99.74 0.01 0.01 0.19 99.59 0.19 0.00 0.00 0.00 59 V H H 26.28 15.69 20.50 36.23 91.28 51.43 -62.90 -42.72 0.06 0.00 99.94 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 60 V H H 72.97 3.75 26.66 30.06 91.36 50.12 -64.00 -42.37 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 61 L H H 16.24 17.66 22.62 40.27 91.42 49.84 -63.60 -43.43 0.21 0.00 99.79 0.01 0.00 0.17 99.78 0.04 0.00 0.00 0.00 62 L H H 2.32 26.17 20.44 46.77 91.26 49.54 -63.97 -42.43 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.02 0.00 0.00 0.00 63 T H H 52.44 9.81 25.18 35.16 91.55 50.74 -64.05 -41.84 0.26 0.00 99.74 0.03 0.01 0.16 99.77 0.02 0.00 0.00 0.00 64 I H H 63.99 7.05 25.98 33.71 91.61 49.73 -64.41 -42.20 0.23 0.00 99.77 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 65 I H H 4.55 23.30 20.30 43.70 91.49 49.32 -63.81 -43.51 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 66 Q H H 41.29 17.15 21.82 37.99 91.26 51.54 -62.08 -42.53 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 67 E H H 94.68 3.21 25.36 27.79 91.47 49.57 -64.34 -41.57 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 68 E H H 37.04 9.85 19.99 31.46 91.82 49.50 -65.05 -41.04 0.48 0.00 99.52 0.04 0.03 0.34 99.51 0.08 0.00 0.00 0.00 69 A H H 6.35 21.48 13.21 34.85 92.07 50.72 -64.25 -41.55 2.25 0.00 97.75 0.18 0.12 1.77 97.53 0.39 0.00 0.00 0.00 70 K H H 115.84 7.16 18.18 26.34 91.07 52.79 -65.80 -30.36 11.78 0.02 88.20 0.39 0.51 10.86 87.64 0.57 0.02 0.00 0.01 71 Q C T 117.02 2.35 17.69 19.88 93.99 50.77 -88.02 2.56 85.57 0.02 14.40 0.54 1.81 82.17 14.86 0.59 0.00 0.01 0.02 72 N C T 109.59 6.37 15.17 22.95 94.73 -114.55 64.23 30.08 98.96 0.02 1.02 2.47 2.64 94.03 0.73 0.12 0.00 0.01 0.01 73 R C C 102.14 7.84 15.80 25.15 119.64 153.16 -91.73 144.64 98.71 0.66 0.62 85.81 11.91 0.91 0.41 0.16 0.00 0.21 0.59 74 I C C 59.51 10.75 19.41 30.96 110.64 -110.18 -76.37 128.23 97.15 1.24 1.62 93.07 3.18 0.98 1.21 0.27 0.00 0.38 0.91 75 F H H 25.47 21.79 15.36 36.57 94.54 -137.43 -63.16 -38.54 17.06 0.19 82.75 11.96 2.70 4.06 78.31 2.78 0.00 0.07 0.12 76 Y H H 92.76 10.45 20.12 30.76 92.25 56.11 -63.41 -40.44 6.16 0.05 93.80 1.36 0.81 3.84 89.61 4.31 0.01 0.02 0.02 77 D H H 72.79 3.76 22.79 26.14 92.23 50.61 -65.98 -39.45 3.56 0.04 96.40 0.86 0.39 2.14 91.77 4.80 0.01 0.02 0.01 78 Y H H 16.35 18.94 16.97 36.27 92.33 50.80 -65.37 -42.41 2.68 0.04 97.28 0.57 0.30 1.72 94.07 3.28 0.01 0.02 0.02 79 K H H 31.79 19.93 16.24 35.46 91.72 53.08 -63.50 -40.67 1.56 0.01 98.43 0.19 0.11 1.13 95.68 2.88 0.00 0.01 0.00 80 R H H 147.15 2.92 21.29 24.38 91.78 52.75 -64.96 -38.13 1.98 0.00 98.02 0.06 0.07 1.88 92.49 5.50 0.00 0.00 0.00 81 K H H 112.13 5.69 20.38 26.56 92.22 49.82 -71.16 -30.22 8.40 0.00 91.60 0.09 0.17 9.09 86.27 4.37 0.01 0.00 0.00 82 F H H 11.97 22.18 13.48 35.99 99.27 39.36 -103.31 -0.71 28.40 0.02 71.58 1.09 1.27 26.21 67.68 3.71 0.02 0.01 0.02 83 R H H 98.47 14.44 17.15 31.18 92.19 98.42 -57.38 -43.72 1.32 0.00 98.67 0.32 0.09 0.66 97.89 1.03 0.00 0.00 0.00 84 P H H 82.52 2.43 23.51 24.76 91.72 50.67 -64.50 -39.23 0.51 0.00 99.49 0.03 0.02 0.38 98.64 0.92 0.00 0.00 0.00 85 A H H 23.35 13.24 20.51 34.16 91.99 49.65 -65.79 -41.08 0.18 0.00 99.82 0.01 0.01 0.12 99.12 0.73 0.00 0.00 0.00 86 V H H 3.83 25.24 17.21 42.62 91.57 50.14 -64.37 -42.82 0.20 0.00 99.79 0.03 0.01 0.11 99.56 0.29 0.00 0.00 0.00 87 T H H 50.83 10.04 22.00 32.32 91.67 51.10 -63.23 -41.46 0.52 0.00 99.47 0.07 0.03 0.32 99.46 0.13 0.00 0.00 0.00 88 R H H 117.28 3.58 24.31 27.37 91.94 50.61 -64.47 -41.61 0.52 0.00 99.48 0.05 0.03 0.34 99.47 0.12 0.00 0.00 0.00 89 F H H 18.98 16.91 18.70 36.14 91.96 49.91 -64.60 -42.82 0.55 0.00 99.45 0.07 0.04 0.34 99.37 0.17 0.00 0.00 0.00 90 T H H 15.87 18.00 15.89 34.10 92.34 50.01 -64.88 -41.66 1.14 0.01 98.84 0.20 0.10 0.71 98.67 0.32 0.00 0.00 0.00 91 I H H 99.42 4.22 18.45 23.13 92.86 48.80 -66.11 -40.28 2.28 0.01 97.71 0.28 0.16 1.67 97.40 0.48 0.00 0.00 0.00 92 D H H 89.92 4.11 17.29 22.23 93.10 50.36 -68.64 -32.08 9.01 0.03 90.96 0.52 0.59 7.70 90.60 0.55 0.01 0.01 0.01 93 N C T 49.91 12.23 12.77 25.90 97.58 42.11 -99.85 8.92 82.17 0.06 17.77 1.41 3.71 75.10 18.86 0.85 0.00 0.02 0.06 94 N C T 131.29 1.47 18.38 19.45 94.23 -121.00 58.55 37.47 99.40 0.02 0.58 6.57 2.51 90.50 0.28 0.12 0.00 0.01 0.01 95 F C C 63.02 16.95 11.28 27.20 117.92 152.47 -87.70 142.88 98.87 0.72 0.41 95.20 2.80 1.02 0.13 0.19 0.00 0.35 0.32 96 E C C 131.63 2.73 22.29 25.35 118.11 -134.91 -100.01 136.36 97.55 2.24 0.20 93.91 3.28 0.55 0.07 0.09 0.00 0.83 1.27 97 I C C 37.02 21.78 12.35 33.17 116.98 -124.09 -84.56 136.23 99.40 0.57 0.03 95.79 3.70 0.04 0.02 0.01 0.00 0.23 0.21 98 P C C 24.52 14.82 15.42 31.39 114.31 -106.45 -65.08 148.21 99.71 0.14 0.14 99.44 0.30 0.07 0.09 0.01 0.00 0.04 0.05 99 D H H 109.97 2.19 20.01 22.41 91.35 -116.93 -60.39 -34.93 3.34 0.01 96.66 0.70 0.57 1.79 96.26 0.67 0.00 0.00 0.00 100 C H H 32.59 12.97 18.22 31.83 92.05 56.60 -64.47 -38.74 1.52 0.01 98.47 0.26 0.16 0.98 97.84 0.74 0.00 0.00 0.00 101 L H H 5.57 24.65 15.63 40.36 91.95 50.22 -65.75 -41.25 0.54 0.01 99.45 0.16 0.06 0.29 98.86 0.62 0.00 0.00 0.00 102 V H H 53.43 10.65 20.39 31.49 91.70 51.15 -63.70 -41.44 0.29 0.01 99.71 0.11 0.03 0.13 99.43 0.30 0.00 0.00 0.00 103 K H H 111.73 3.80 24.03 27.59 91.74 50.11 -64.73 -41.27 0.48 0.01 99.51 0.12 0.04 0.28 99.33 0.23 0.00 0.00 0.00 104 L H H 12.13 20.69 19.05 39.65 91.99 50.21 -64.34 -42.78 0.58 0.01 99.41 0.12 0.04 0.36 99.16 0.31 0.00 0.00 0.00 105 L H H 21.84 19.46 19.08 37.98 91.48 51.17 -63.24 -40.85 0.85 0.00 99.15 0.13 0.05 0.57 98.47 0.78 0.00 0.00 0.00 106 S H H 60.60 4.30 23.32 27.56 91.57 52.65 -65.42 -35.36 5.07 0.01 94.92 0.30 0.22 4.36 93.20 1.91 0.00 0.00 0.00 107 A H H 30.27 12.99 18.87 32.28 92.59 52.52 -69.28 -31.19 11.91 0.02 88.06 0.84 0.80 9.86 86.22 2.24 0.01 0.01 0.01 108 V H H 16.05 21.94 15.43 36.57 96.04 52.70 -79.94 -20.50 31.87 0.55 67.58 8.51 5.91 18.29 64.52 2.17 0.07 0.21 0.33 109 E C H 101.85 9.36 19.28 28.65 102.75 68.54 -85.16 10.60 65.21 2.10 32.69 25.84 14.81 24.53 30.39 2.48 0.05 0.76 1.13 110 T C C 65.14 9.06 15.86 25.79 115.84 104.37 -93.89 129.07 96.53 1.00 2.48 50.95 43.66 1.86 2.17 0.46 0.00 0.33 0.56 111 P C C 61.43 11.44 12.35 24.50 109.64 -112.40 -66.28 141.32 88.66 1.06 10.27 77.87 5.18 6.04 5.15 4.59 0.00 0.53 0.64 112 K C C 132.20 5.34 15.54 22.17 101.80 -147.74 -81.04 -10.97 75.54 2.28 22.18 46.67 13.21 15.55 6.92 15.27 0.01 1.11 1.26 113 A C C 58.64 8.25 13.93 23.02 105.79 68.11 -84.36 -6.84 68.47 4.01 27.52 34.42 15.01 20.34 6.21 20.23 0.02 2.16 1.62 114 W C C 107.09 12.46 12.06 24.48 105.25 58.32 -92.57 48.03 68.15 5.61 26.24 40.81 12.35 15.55 5.79 20.21 0.01 3.29 2.00 115 S C C 64.49 7.22 12.96 21.36 107.69 115.60 -83.92 94.93 79.93 6.70 13.37 37.65 16.09 27.45 3.20 9.37 0.01 4.09 2.13 116 G C C 51.26 4.39 13.97 19.55 106.69 15.60 83.88 0.48 84.88 7.33 7.79 33.93 19.93 32.39 1.49 5.77 0.00 4.77 1.71 117 F C C 113.01 9.03 9.73 19.42 107.71 105.59 -89.57 73.65 88.92 6.88 4.20 79.40 2.96 6.74 1.14 2.60 0.00 4.31 2.86 118 S C C 74.24 5.18 13.85 20.45 112.88 88.34 -96.04 124.95 99.75 0.23 0.01 99.69 0.11 0.04 0.01 0.00 0.00 0.13 0.03