# 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 G C C 32.23 10.82 17.77 28.74 114.80 -127.22 86.36 -166.18 99.85 0.14 0.01 99.75 0.12 0.04 0.00 0.00 0.00 0.08 0.01 1 N C C 94.89 7.47 16.74 25.00 114.61 -74.11 -97.45 126.66 87.66 9.63 2.70 84.11 1.68 2.10 1.98 0.62 0.00 5.28 4.23 2 I C C 63.38 14.20 12.80 26.94 110.82 -150.21 -90.23 115.59 82.38 10.40 7.21 67.18 10.09 4.22 5.83 1.93 0.00 6.13 4.62 3 R C C 121.11 9.07 16.50 26.08 106.37 151.51 -87.97 5.99 86.66 4.72 8.62 69.21 13.08 3.73 7.93 1.52 0.00 2.63 1.90 4 N C C 54.92 11.07 14.62 26.39 121.68 96.48 -101.53 159.26 78.37 2.20 19.42 60.90 13.29 2.83 19.83 1.26 0.00 0.82 1.07 5 R H H 152.77 3.52 18.31 22.71 93.16 -111.43 -62.94 -34.95 5.98 0.05 93.97 2.19 1.35 2.28 93.66 0.47 0.00 0.02 0.02 6 V H H 53.94 10.20 19.10 29.86 92.45 52.35 -65.56 -41.66 3.33 0.04 96.63 1.11 0.51 1.59 96.35 0.41 0.00 0.02 0.01 7 I H H 10.72 22.20 16.55 38.53 92.30 49.38 -64.99 -42.21 1.28 0.02 98.70 0.50 0.16 0.56 98.47 0.29 0.00 0.01 0.00 8 K H H 73.22 13.96 21.18 34.37 91.46 51.80 -62.23 -42.40 0.62 0.00 99.38 0.25 0.06 0.26 99.28 0.14 0.00 0.00 0.00 9 R H H 117.74 4.13 26.35 30.36 91.55 49.53 -64.36 -41.61 0.61 0.00 99.38 0.14 0.05 0.35 99.35 0.11 0.00 0.00 0.00 10 A H H 12.98 15.53 22.58 38.58 91.50 49.68 -64.06 -42.58 0.69 0.00 99.31 0.12 0.05 0.44 99.32 0.08 0.00 0.00 0.00 11 A H H 2.28 25.38 19.51 45.05 91.07 51.07 -63.38 -42.14 0.30 0.00 99.70 0.06 0.01 0.14 99.75 0.02 0.00 0.00 0.00 12 R H H 95.31 11.26 24.97 35.90 91.43 51.31 -63.09 -41.73 0.17 0.00 99.83 0.02 0.00 0.08 99.88 0.01 0.00 0.00 0.00 13 Q H H 65.52 6.04 25.28 31.79 91.42 50.07 -63.97 -42.85 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 14 I H H 7.95 20.82 20.02 41.06 91.43 48.95 -63.96 -43.98 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 15 V H H 9.60 22.94 17.33 39.91 91.42 49.02 -63.95 -42.11 0.09 0.00 99.91 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 16 E H H 114.83 4.66 21.22 26.50 92.33 49.27 -66.48 -38.64 0.38 0.00 99.62 0.01 0.01 0.36 99.43 0.19 0.00 0.00 0.00 17 K H H 122.09 3.78 20.62 24.63 95.19 40.99 -78.92 -32.84 3.11 0.00 96.89 0.02 0.05 3.38 96.19 0.35 0.00 0.00 0.00 18 H H H 32.24 17.42 14.61 32.24 102.46 27.89 -115.79 0.03 23.92 0.01 76.06 0.59 0.90 22.60 74.57 1.30 0.01 0.00 0.01 19 F H G 50.87 20.33 13.68 33.04 92.20 104.89 -59.49 -39.18 13.30 0.08 86.63 2.41 1.10 8.50 11.17 76.74 0.00 0.05 0.02 20 L H G 122.25 2.56 21.70 24.63 90.11 60.77 -68.88 -19.80 11.94 0.05 88.01 0.73 0.81 9.38 8.07 80.97 0.00 0.03 0.01 21 S H G 46.11 10.22 20.07 31.13 94.88 55.54 -91.56 -6.12 12.66 0.11 87.23 1.84 1.31 8.06 6.48 82.21 0.00 0.08 0.02 22 L C C 9.31 25.28 11.88 37.04 112.43 99.26 -79.15 128.09 72.49 2.16 25.35 49.05 13.64 8.79 5.85 20.03 0.00 0.89 1.75 23 D C C 51.03 8.32 23.27 31.71 136.18 170.59 -135.31 171.23 96.63 1.97 1.40 85.03 5.91 5.30 0.68 0.66 0.00 0.87 1.55 24 K C S 118.24 11.36 18.00 29.54 95.09 -112.23 -87.00 1.16 99.47 0.36 0.17 8.90 85.96 4.73 0.02 0.10 0.00 0.17 0.11 25 S C S 53.97 5.17 21.33 27.23 117.24 101.77 -91.63 134.35 97.72 2.01 0.28 29.11 68.33 0.25 0.20 0.04 0.00 0.29 1.78 26 F H H 61.25 17.69 13.51 30.79 92.76 -133.98 -60.51 -38.97 2.81 0.01 97.19 0.22 0.55 1.99 96.80 0.42 0.00 0.00 0.00 27 D H H 99.86 2.56 21.40 23.95 91.65 53.87 -63.53 -41.02 2.29 0.00 97.70 0.10 0.16 2.09 97.12 0.53 0.00 0.00 0.00 28 D H H 52.41 7.35 20.36 28.67 92.00 47.46 -66.44 -40.33 1.00 0.00 99.00 0.09 0.07 0.76 98.60 0.47 0.00 0.00 0.00 29 N H H 6.75 23.08 15.42 38.59 91.21 52.00 -62.97 -43.08 0.18 0.00 99.82 0.03 0.01 0.09 99.81 0.06 0.00 0.00 0.00 30 L H H 53.34 13.03 21.64 34.47 91.43 51.23 -62.87 -41.92 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 31 L H H 79.26 3.37 25.58 28.26 91.39 50.52 -63.58 -42.80 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 32 V H H 12.23 17.60 20.52 38.54 91.78 49.23 -64.03 -43.48 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 33 V H H 4.37 24.67 16.89 41.68 91.19 50.41 -63.12 -42.63 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 34 Q H H 102.92 6.56 21.98 29.23 91.84 50.94 -65.15 -37.61 0.56 0.00 99.44 0.02 0.02 0.52 99.30 0.15 0.00 0.00 0.00 35 D H H 86.17 4.94 22.28 27.45 94.61 45.88 -74.03 -33.35 3.04 0.00 96.96 0.05 0.08 3.09 96.54 0.24 0.00 0.00 0.00 36 V H H 24.05 18.44 17.20 35.30 101.90 34.67 -96.56 -29.30 17.12 0.04 82.84 0.61 1.35 14.93 82.45 0.60 0.03 0.01 0.03 37 A C T 22.30 18.89 17.10 34.81 107.10 67.78 -81.84 71.49 75.90 1.19 22.92 12.45 17.95 45.19 19.44 3.64 0.07 0.47 0.79 38 L C T 88.42 7.74 22.99 30.59 105.22 -126.70 -84.24 82.47 87.99 2.35 9.65 28.83 18.24 41.93 4.73 3.97 0.01 1.04 1.26 39 V C C 21.54 20.62 11.40 31.39 115.01 144.31 -94.34 126.35 96.52 1.69 1.79 85.74 8.90 1.75 1.11 0.60 0.00 0.65 1.25 40 Q C C 123.80 4.07 18.87 23.76 96.85 -160.47 -82.38 -21.99 98.97 0.74 0.29 81.03 17.25 0.72 0.13 0.12 0.00 0.28 0.46 41 S C C 42.53 6.88 15.96 24.45 124.19 58.83 -110.21 147.08 97.11 2.23 0.67 57.23 39.27 0.32 0.56 0.10 0.00 0.34 2.20 42 K H H 129.82 5.96 14.96 22.79 92.51 -132.35 -61.65 -36.35 1.27 0.00 98.73 0.13 0.21 0.82 98.47 0.38 0.00 0.00 0.00 43 R H H 148.00 2.50 19.80 22.47 91.51 54.67 -63.42 -40.73 0.74 0.00 99.26 0.06 0.06 0.56 98.87 0.45 0.00 0.00 0.00 44 V H H 19.97 16.17 16.69 33.36 92.09 47.47 -65.92 -41.77 0.31 0.00 99.69 0.04 0.02 0.20 99.30 0.44 0.00 0.00 0.00 45 R H H 48.01 18.52 17.28 35.04 91.28 52.16 -61.52 -43.23 0.11 0.00 99.89 0.01 0.01 0.07 99.82 0.10 0.00 0.00 0.00 46 N H H 77.73 6.42 24.23 30.78 91.70 49.88 -65.38 -40.36 0.37 0.00 99.63 0.02 0.01 0.27 99.55 0.13 0.00 0.00 0.00 47 Q H H 73.07 9.57 24.96 34.57 92.00 49.25 -65.67 -41.51 0.90 0.00 99.10 0.04 0.03 0.76 98.96 0.21 0.00 0.00 0.00 48 I H H 4.43 24.57 20.83 45.20 92.22 48.28 -65.88 -42.37 2.55 0.00 97.44 0.12 0.14 2.16 97.28 0.30 0.00 0.00 0.00 49 A H H 16.46 18.12 23.30 40.71 91.58 52.17 -62.63 -41.20 10.55 0.03 89.42 0.67 0.62 9.11 88.71 0.85 0.01 0.01 0.02 50 G H H 27.54 6.66 26.54 33.93 92.02 51.02 -64.31 -41.31 22.22 0.04 77.74 1.12 1.10 19.76 76.81 1.16 0.01 0.01 0.02 51 Y H H 38.70 16.38 24.43 40.28 92.44 49.74 -65.11 -42.59 8.61 0.04 91.35 0.98 0.84 6.68 90.18 1.27 0.01 0.02 0.02 52 V H H 4.94 24.42 21.68 45.71 91.84 49.54 -65.07 -43.02 2.27 0.02 97.71 0.54 0.29 1.33 97.17 0.65 0.00 0.01 0.00 53 T H H 40.77 11.26 24.42 35.96 91.70 50.51 -64.16 -42.34 1.11 0.00 98.89 0.24 0.11 0.64 98.62 0.38 0.00 0.00 0.00 54 H H H 77.91 7.45 25.29 33.18 92.00 49.84 -64.69 -41.88 1.19 0.00 98.80 0.19 0.11 0.80 98.45 0.46 0.00 0.00 0.00 55 L H H 13.49 20.42 20.36 40.46 92.15 50.14 -64.83 -42.66 1.42 0.01 98.57 0.21 0.12 0.97 98.15 0.55 0.00 0.00 0.00 56 Y H H 46.18 17.39 20.41 37.07 92.04 51.08 -63.81 -41.49 1.95 0.01 98.04 0.40 0.20 1.17 97.53 0.69 0.00 0.01 0.00 57 K H H 107.78 4.03 23.34 27.34 92.01 51.20 -64.68 -40.78 3.55 0.04 96.41 0.77 0.39 2.21 95.39 1.20 0.01 0.02 0.01 58 C H H 33.17 9.80 18.37 29.66 92.48 49.69 -66.37 -39.91 6.06 0.14 93.79 1.66 0.75 3.59 92.04 1.81 0.02 0.09 0.04 59 I H H 29.21 17.60 14.64 32.07 92.83 50.37 -67.84 -39.06 8.62 0.38 91.00 2.74 1.26 4.73 88.51 2.38 0.04 0.23 0.10 60 L H H 87.33 8.07 16.69 25.59 92.71 52.00 -69.80 -29.89 17.25 0.54 82.20 4.27 2.36 10.62 79.96 2.22 0.07 0.29 0.20 61 K H H 137.96 2.33 16.67 19.06 97.50 48.34 -87.20 -9.37 40.61 0.56 58.82 6.25 7.20 26.60 57.44 1.91 0.08 0.23 0.29 62 G C T 35.32 7.86 14.66 23.40 115.09 -91.18 81.97 17.68 80.88 1.10 18.03 25.96 26.37 28.56 14.46 3.64 0.01 0.49 0.50 63 T C C 75.50 6.84 16.25 23.86 104.56 18.72 -76.86 78.16 73.71 3.54 22.75 45.36 14.88 13.29 16.05 7.08 0.01 2.11 1.21 64 A C C 38.83 15.07 11.80 26.36 110.57 65.23 -87.02 119.86 66.84 9.02 24.14 46.59 10.55 9.19 17.68 7.21 0.03 6.08 2.66 65 K C C 116.16 6.87 17.11 24.85 110.61 -165.30 -91.31 110.33 65.49 8.53 25.97 41.77 12.17 10.92 19.33 7.51 0.04 6.52 1.74 66 K C C 117.08 7.12 16.88 24.78 108.05 -75.78 -81.27 104.08 60.37 11.47 28.16 34.39 13.88 12.03 20.52 8.00 0.11 9.11 1.97 67 L C C 57.20 14.79 13.37 27.92 113.06 126.86 -95.98 125.53 53.82 15.24 30.94 38.30 8.89 6.28 24.14 7.25 0.05 12.90 2.19 68 Y C C 103.57 9.14 17.03 26.86 116.21 -159.89 -98.84 135.75 49.17 17.92 32.91 35.50 7.75 5.74 26.47 6.61 0.07 15.47 2.39 69 I C H 66.11 12.75 13.63 26.55 109.47 -148.71 -91.22 104.97 43.72 15.23 41.05 29.51 8.36 6.56 32.89 7.58 0.10 12.89 2.10 70 K C C 111.56 6.03 15.60 22.59 106.84 56.17 -85.15 94.41 49.77 10.49 39.74 35.08 7.70 6.99 32.49 7.22 0.05 8.87 1.60 71 S C C 53.73 8.06 12.80 21.96 102.60 59.01 -78.19 -2.30 56.63 5.09 38.28 37.82 9.77 9.01 31.31 7.26 0.03 3.62 1.19 72 H C C 99.12 7.03 11.90 20.22 100.78 60.77 -80.18 -15.74 60.62 2.51 36.87 37.73 11.70 10.85 31.61 5.80 0.01 1.50 0.80 73 E C H 111.01 4.50 12.17 18.10 98.11 61.40 -73.11 -30.82 56.39 1.27 42.34 28.28 13.73 14.64 35.29 6.88 0.02 0.65 0.51 74 D C H 91.72 3.41 12.13 16.69 98.59 53.78 -75.78 -23.80 56.43 1.02 42.55 25.92 13.61 17.12 34.94 7.44 0.02 0.49 0.46 75 E C H 103.31 5.65 10.77 17.89 99.21 61.07 -78.34 -23.47 54.42 1.38 44.20 30.84 10.51 13.24 36.23 7.87 0.02 0.69 0.59 76 R C H 126.04 5.86 10.83 18.15 101.85 70.78 -77.62 -14.99 51.07 1.69 47.24 30.36 9.88 11.37 38.03 8.77 0.02 0.89 0.67 77 E C H 120.41 3.61 12.18 17.01 101.49 68.28 -77.99 -19.54 52.92 2.24 44.84 29.06 11.31 13.24 34.97 9.30 0.04 1.23 0.85 78 K C C 114.17 5.84 11.38 18.57 104.39 62.64 -86.37 13.03 59.93 2.24 37.83 34.20 12.10 13.94 27.92 9.68 0.03 1.16 0.98 79 K C C 107.19 7.25 11.20 19.70 104.23 106.32 -82.90 4.38 64.38 2.11 33.51 42.13 9.14 12.79 19.84 13.97 0.01 1.13 1.00 80 E C T 121.73 4.96 12.69 19.08 101.08 91.58 -77.46 -9.02 72.11 1.79 26.09 24.21 14.20 34.09 12.78 12.84 0.02 0.96 0.89 81 N C T 97.09 5.95 13.70 20.77 101.51 60.03 -90.88 29.76 78.47 3.07 18.45 28.90 16.29 34.50 6.98 10.36 0.02 1.80 1.14 82 I C C 73.50 9.96 12.42 23.62 115.13 131.61 -97.37 128.23 77.98 16.92 5.10 56.97 15.97 3.87 3.35 2.12 0.02 7.62 10.08 83 M C C 84.16 9.56 13.57 24.38 118.60 -161.20 -102.41 132.71 88.59 10.04 1.37 75.56 12.16 0.99 1.13 0.44 0.00 7.39 2.32 84 P C C 57.86 10.12 12.68 24.07 112.60 -111.28 -66.10 148.71 85.27 7.39 7.34 74.98 5.94 4.11 4.86 2.55 0.00 5.53 2.03 85 K C C 141.97 3.95 14.31 19.81 99.31 -127.03 -72.36 -24.13 67.58 3.28 29.14 30.64 22.97 14.71 19.69 8.87 0.05 1.80 1.26 86 D C C 88.30 5.19 13.41 19.87 110.03 49.48 -93.02 94.92 58.05 5.66 36.29 29.57 15.98 13.47 24.44 11.20 0.10 3.63 1.60 87 S C C 51.09 9.78 11.70 22.25 102.71 98.00 -78.53 -11.93 53.21 6.36 40.44 38.46 7.11 7.58 27.12 13.53 0.02 4.79 1.38 88 I H H 88.25 7.96 12.71 21.75 97.44 64.07 -73.23 -22.84 43.97 8.50 47.52 25.59 8.83 10.44 32.39 14.52 0.12 6.32 1.81 89 M H H 102.47 6.82 12.20 20.31 98.98 65.97 -78.58 -17.63 45.99 7.66 46.36 23.75 10.25 12.99 31.69 13.87 0.16 5.57 1.72 90 D C C 96.20 4.57 13.04 19.05 100.80 63.62 -84.94 6.92 56.93 4.74 38.33 33.92 10.08 13.27 27.34 10.81 0.05 3.28 1.26 91 T C C 77.01 7.55 11.14 19.89 107.17 87.57 -92.66 57.74 63.13 4.66 32.21 34.92 14.60 13.79 24.62 7.71 0.06 3.11 1.20 92 E C C 124.09 4.74 13.41 19.64 107.61 144.18 -87.10 85.44 65.09 8.58 26.32 40.09 12.88 11.41 20.38 6.81 0.04 6.96 1.44 93 V C C 85.91 7.40 13.25 21.83 113.26 74.83 -99.45 118.25 60.49 19.21 20.30 42.08 10.96 6.47 16.40 4.86 0.04 16.96 2.23 94 V C C 52.19 14.13 11.06 25.35 118.45 -164.77 -105.37 129.27 56.23 30.90 12.86 44.65 6.44 3.58 10.29 3.31 0.03 29.29 2.41 95 E C C 129.71 3.44 18.57 23.15 115.43 -151.48 -97.58 127.30 50.15 39.96 9.89 40.24 5.48 3.16 8.25 2.43 0.03 36.18 4.25 96 V C C 44.42 17.28 9.31 25.54 123.10 -168.81 -109.77 142.65 70.25 26.29 3.46 57.99 10.70 1.53 3.09 0.92 0.02 19.39 6.37 97 D C C 65.57 5.70 14.33 21.64 112.01 -105.53 -68.68 143.67 99.39 0.35 0.26 98.10 1.27 0.16 0.20 0.03 0.00 0.18 0.06 98 P H H 98.77 3.00 13.72 18.23 92.01 -122.70 -59.30 -35.30 24.03 0.09 75.89 1.96 1.64 19.41 65.33 11.55 0.02 0.05 0.04 99 M H H 118.89 2.33 15.93 18.49 92.57 53.37 -66.54 -36.66 24.03 0.09 75.88 1.33 1.41 20.45 64.65 11.99 0.06 0.05 0.05 100 T H H 29.36 12.91 13.06 26.83 93.94 46.40 -73.20 -34.61 21.29 0.22 78.49 2.95 1.85 15.58 65.28 14.06 0.05 0.14 0.08 101 L H H 54.05 11.92 13.80 26.50 92.03 58.21 -61.68 -41.49 3.87 0.08 96.05 1.78 0.51 1.60 92.68 3.36 0.00 0.05 0.01 102 E H H 110.55 2.06 19.23 20.41 91.93 51.40 -64.49 -40.53 2.40 0.10 97.50 0.78 0.27 1.34 92.76 4.74 0.00 0.09 0.01 103 M H H 71.86 6.53 17.00 24.73 92.15 50.66 -65.25 -41.19 2.46 0.15 97.39 0.73 0.28 1.44 92.13 5.25 0.01 0.14 0.02 104 L H H 29.47 15.84 12.67 28.89 92.53 50.75 -66.06 -38.43 4.23 0.23 95.54 1.15 0.49 2.58 90.21 5.32 0.01 0.20 0.04 105 N H H 91.92 5.60 15.90 22.71 92.82 54.18 -66.38 -34.39 22.63 0.33 77.04 2.61 1.55 18.42 72.74 4.29 0.04 0.22 0.11 106 K H H 139.05 2.21 15.17 17.59 93.28 55.74 -72.14 -23.41 42.84 0.43 56.73 4.75 4.27 33.49 52.59 4.38 0.07 0.22 0.23 107 N C T 74.64 8.99 11.80 21.73 100.35 62.38 -84.31 -0.11 69.33 1.51 29.16 13.87 19.73 36.10 23.34 5.30 0.08 0.64 0.94 108 E C C 127.95 4.13 15.22 20.57 100.31 -129.64 -39.93 46.01 84.26 2.09 13.65 38.59 10.08 36.29 8.33 4.62 0.00 1.13 0.96 109 Y C C 82.49 13.56 10.10 23.48 103.49 147.94 -88.59 25.55 82.36 3.61 14.03 59.87 8.95 13.42 7.62 6.29 0.00 2.05 1.81 110 R C C 145.57 4.94 13.22 19.70 106.57 115.70 -80.65 92.48 81.70 3.96 14.34 45.99 13.28 23.04 5.88 7.87 0.01 2.20 1.73 111 G C C 49.61 3.73 13.95 18.81 105.08 39.68 -52.02 -35.46 84.02 2.63 13.35 32.29 24.13 28.67 3.53 8.90 0.01 1.41 1.06 112 N C C 98.60 5.79 13.40 20.30 102.87 34.95 -87.63 15.94 82.19 4.92 12.89 49.37 17.09 16.21 4.12 8.53 0.00 3.27 1.42 113 F C C 86.93 12.34 10.18 22.64 109.25 122.71 -88.11 109.40 71.92 13.02 15.06 57.61 8.18 6.18 7.02 7.94 0.01 10.54 2.52 114 K C C 132.63 3.99 14.71 20.10 111.28 -160.46 -93.07 115.48 63.90 20.10 16.00 49.28 7.76 6.83 8.27 7.57 0.02 17.52 2.74 115 L C C 90.21 8.43 11.53 21.06 109.96 -149.36 -87.80 116.28 56.79 24.35 18.86 41.88 8.34 6.88 9.55 9.09 0.04 21.64 2.58 116 I C C 87.57 8.62 10.15 19.94 112.27 -164.51 -96.24 115.64 60.54 24.35 15.11 45.46 8.11 7.18 7.91 6.87 0.03 21.76 2.69 117 T C C 91.75 4.09 10.90 16.82 112.78 -161.17 -98.77 120.61 74.23 17.15 8.61 65.85 2.33 6.28 4.33 3.16 0.00 15.51 2.53 118 Y C C 136.72 6.85 11.56 19.78 111.27 -159.02 -97.06 114.61 99.54 0.43 0.02 99.50 0.11 0.05 0.01 0.00 0.00 0.30 0.02