# 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 133.95 2.78 10.60 15.06 116.61 -151.31 -96.40 133.71 99.87 0.11 0.02 99.79 0.11 0.03 0.01 0.00 0.00 0.05 0.02 1 A C C 76.00 3.67 8.24 13.94 115.79 -112.70 -75.57 146.88 92.66 1.10 6.24 89.63 0.83 3.82 2.38 2.25 0.00 0.62 0.46 2 P C C 103.51 2.90 8.36 13.09 111.24 -106.25 -76.67 140.66 83.36 2.54 14.10 58.75 11.86 12.73 4.91 9.25 0.00 1.64 0.87 3 T C C 109.78 2.07 9.05 12.59 108.43 -149.04 -94.05 84.50 73.20 7.43 19.37 49.92 13.34 10.02 7.60 11.94 0.01 5.38 1.79 4 R C C 156.39 3.22 8.95 14.10 116.46 99.87 -102.89 134.27 63.58 16.39 20.03 46.38 10.57 6.47 10.70 9.73 0.03 12.94 3.17 5 V C C 93.85 5.87 8.58 16.16 115.86 -143.54 -95.39 129.97 63.62 20.50 15.87 50.06 8.19 4.76 9.91 6.32 0.01 17.53 3.23 6 T C C 91.42 3.78 11.08 16.59 116.55 -166.58 -107.46 132.97 65.96 21.11 12.93 49.00 10.57 5.76 8.06 5.30 0.03 18.35 2.93 7 Y C C 146.83 4.98 9.81 16.65 117.54 -149.11 -102.73 130.85 70.00 20.63 9.37 50.46 13.25 5.90 5.38 4.35 0.03 17.00 3.63 8 R C C 144.14 4.77 10.38 17.09 118.84 -160.84 -105.49 134.82 80.48 15.29 4.23 63.65 12.00 4.30 2.12 2.13 0.00 12.99 2.82 9 R C C 155.50 3.89 10.64 16.54 114.84 -130.48 -88.88 134.78 85.05 12.29 2.65 70.00 10.39 4.13 1.11 1.58 0.00 9.57 3.22 10 R C C 146.59 5.08 9.95 16.87 112.69 -135.03 -89.92 136.36 90.37 8.61 1.01 71.27 16.78 2.11 0.42 0.62 0.00 4.92 3.87 11 N C C 91.13 5.11 10.56 17.29 115.20 -109.82 -87.71 135.82 96.35 2.50 1.15 76.69 16.05 3.45 0.27 1.00 0.00 1.39 1.14 12 P C T 97.46 3.82 12.01 17.29 97.23 -123.59 -68.96 -16.79 94.05 1.14 4.81 31.62 21.24 40.93 0.65 4.52 0.00 0.62 0.43 13 Y C T 129.24 6.48 11.20 19.05 103.31 59.98 -92.34 19.48 89.92 4.22 5.87 32.98 20.05 37.22 0.98 4.88 0.00 1.99 1.89 14 N C C 86.38 7.62 11.45 20.39 109.44 113.44 -90.70 105.86 91.03 4.51 4.47 60.42 22.05 7.96 1.00 3.83 0.00 2.30 2.44 15 T C C 55.71 7.62 11.92 21.22 125.94 163.68 -117.84 156.01 87.96 7.29 4.74 58.92 22.94 5.49 1.70 3.07 0.00 2.96 4.92 16 T C T 102.87 3.80 13.76 18.83 95.15 -125.38 -72.02 -18.44 62.39 2.77 34.84 15.87 17.12 30.86 3.60 29.90 0.02 1.48 1.14 17 S C T 67.40 4.90 14.27 20.35 95.49 66.02 -79.71 -12.31 61.86 3.20 34.94 13.20 14.82 35.03 3.20 30.76 0.02 1.98 1.00 18 N C G 64.06 11.32 12.35 24.38 105.68 62.85 -93.39 65.43 55.85 9.00 35.15 28.37 14.41 15.49 3.53 30.06 0.01 6.78 1.35 19 R C C 110.46 7.87 15.99 24.88 114.49 135.32 -91.29 133.25 60.56 35.58 3.86 45.73 10.59 4.19 0.89 2.84 0.00 34.14 1.61 20 T E E 61.52 11.10 13.95 25.86 123.65 -152.15 -113.22 138.05 12.65 87.26 0.10 11.48 0.92 0.11 0.03 0.05 0.00 87.01 0.39 21 R E E 97.10 8.37 16.03 25.80 126.00 -171.26 -124.59 142.02 1.47 98.52 0.01 1.37 0.06 0.01 0.00 0.00 0.00 98.51 0.04 22 V E E 75.17 7.82 14.73 24.09 116.79 -135.49 -98.97 127.83 0.78 99.22 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.21 0.02 23 I E E 52.16 9.99 12.53 24.45 124.46 -171.81 -120.40 140.75 1.38 98.61 0.00 1.29 0.05 0.00 0.00 0.00 0.00 98.63 0.03 24 K E E 137.19 3.06 13.59 18.18 114.43 -129.98 -92.57 125.95 7.08 92.90 0.01 6.65 0.33 0.02 0.00 0.01 0.00 92.45 0.53 25 T C C 42.46 9.71 7.37 18.25 122.90 -151.08 -91.62 162.60 94.92 5.03 0.05 94.47 0.81 0.09 0.01 0.02 0.00 4.25 0.34 26 P C T 119.44 1.21 10.39 12.22 101.14 -94.24 -62.66 31.44 96.64 0.71 2.65 1.11 5.64 89.57 0.06 2.99 0.00 0.50 0.14 27 G C T 64.11 0.63 10.25 10.31 96.24 40.21 -72.94 0.13 96.62 0.18 3.19 0.58 4.78 90.77 0.07 3.64 0.00 0.10 0.06 28 G C S 53.21 2.23 10.15 13.72 98.67 -98.40 89.57 3.15 96.01 1.04 2.94 14.33 74.56 7.19 0.20 2.71 0.00 0.60 0.41 29 Q C C 106.42 2.71 11.02 15.42 117.45 132.05 -82.42 143.73 91.30 8.58 0.12 86.63 4.35 0.34 0.03 0.09 0.00 7.72 0.85 30 L E E 92.72 7.07 10.36 19.25 116.73 -129.48 -94.30 132.19 3.84 96.15 0.01 3.57 0.16 0.01 0.00 0.00 0.00 96.01 0.24 31 R E E 101.49 7.26 14.13 23.13 124.28 -169.68 -119.98 141.06 0.58 99.42 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 32 V E E 65.84 9.83 13.89 25.21 118.65 -143.54 -106.23 129.98 0.33 99.67 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 33 L E E 53.91 10.12 15.26 27.13 120.47 -165.44 -112.85 133.00 0.82 99.17 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.19 0.02 34 H E E 82.91 9.59 15.41 26.33 118.11 -153.73 -104.03 130.08 4.84 95.15 0.01 4.58 0.16 0.01 0.00 0.00 0.00 95.08 0.16 35 I E E 52.00 11.50 14.10 27.06 119.81 -163.50 -108.86 128.95 32.13 67.72 0.15 30.65 1.27 0.16 0.06 0.08 0.00 66.53 1.25 36 K C C 118.53 6.50 15.10 23.10 115.59 -144.80 -93.15 134.78 67.25 32.36 0.39 57.83 7.47 0.94 0.10 0.32 0.00 31.47 1.86 37 K C C 111.92 7.27 13.49 22.07 118.24 -129.30 -93.23 140.53 82.43 16.70 0.86 69.92 9.95 2.14 0.22 0.74 0.00 13.23 3.79 38 R C C 154.75 4.66 13.88 20.39 112.98 -112.73 -77.57 135.95 91.18 7.72 1.10 67.22 15.53 8.25 0.20 1.15 0.00 5.57 2.09 39 G C C 33.97 9.80 11.75 22.36 120.24 -121.04 -81.38 163.90 93.90 5.47 0.63 60.49 23.60 9.87 0.08 0.81 0.00 3.84 1.32 40 T C C 92.36 3.78 17.73 22.59 121.36 -113.26 -105.03 143.74 84.57 15.10 0.34 71.03 12.33 0.99 0.10 0.29 0.00 5.76 9.50 41 A C C 46.94 11.54 15.71 27.82 117.76 -104.98 -75.58 145.33 93.80 6.15 0.05 81.14 12.85 0.26 0.01 0.05 0.00 4.35 1.34 42 P C C 33.23 16.22 14.89 31.41 114.23 -105.40 -67.77 147.15 94.95 4.99 0.07 85.14 9.46 0.44 0.01 0.07 0.00 4.37 0.51 43 K E B 107.70 6.08 22.31 29.29 125.29 -150.02 -116.15 146.12 9.66 90.29 0.05 7.78 0.32 0.01 0.05 0.00 0.00 13.48 78.35 44 C C C 12.80 20.06 12.57 33.04 111.25 -110.26 -71.88 134.16 83.77 16.18 0.05 84.86 0.66 0.09 0.02 0.02 0.00 11.39 2.97 45 G C T 34.60 8.11 18.09 27.46 93.79 -141.61 -67.83 -28.69 99.78 0.10 0.13 0.43 5.49 93.87 0.00 0.11 0.00 0.06 0.02 46 D C T 83.80 6.90 17.33 25.03 100.28 42.59 -85.42 -38.20 99.80 0.06 0.14 0.10 3.29 96.46 0.00 0.11 0.00 0.03 0.01 47 C C T 60.26 6.97 14.79 23.14 101.98 18.57 -107.37 -13.14 99.73 0.11 0.17 0.35 5.21 94.20 0.01 0.14 0.00 0.05 0.03 48 G C C 45.92 5.17 15.01 21.80 95.10 -124.09 79.62 6.46 99.26 0.65 0.09 81.76 14.97 2.48 0.02 0.08 0.00 0.31 0.39 49 I C C 79.57 6.15 15.65 23.44 117.19 140.80 -78.52 140.95 95.67 4.28 0.05 84.13 11.70 0.21 0.01 0.03 0.00 2.67 1.24 50 K E B 127.88 5.54 18.15 25.12 114.28 -110.50 -74.16 137.25 6.15 93.80 0.05 4.34 0.23 0.01 0.06 0.00 0.00 9.64 85.71 51 L C C 18.05 21.73 9.96 30.95 110.33 -135.38 -93.29 117.60 94.74 5.09 0.17 93.43 1.51 0.29 0.03 0.14 0.00 3.82 0.80 52 P C T 94.47 3.76 18.79 23.37 111.46 -127.91 -66.35 139.76 95.62 3.36 1.02 15.13 13.45 66.90 0.10 1.12 0.00 2.61 0.69 53 G C T 56.01 2.96 18.02 20.97 96.18 19.38 84.07 -1.57 97.10 2.09 0.81 10.79 15.00 71.04 0.07 0.98 0.00 1.76 0.36 54 I C C 30.44 19.51 10.06 28.97 115.69 117.42 -95.79 125.69 92.60 7.10 0.31 63.90 28.63 0.67 0.08 0.24 0.00 3.64 2.83 55 P C C 71.35 5.29 20.95 26.53 115.65 -117.03 -69.98 148.45 90.60 8.71 0.69 84.96 4.17 1.35 0.18 0.54 0.00 5.16 3.64 56 A C C 54.27 13.03 15.20 28.24 114.66 -111.30 -76.22 138.00 89.85 9.22 0.93 67.07 19.87 2.70 0.29 0.74 0.00 4.44 4.90 57 L C C 41.23 14.97 12.43 27.86 122.03 -146.38 -105.38 142.76 88.17 11.26 0.57 71.79 14.36 0.63 0.32 0.27 0.00 3.71 8.92 58 R C C 120.06 3.65 19.06 22.70 116.67 -113.20 -74.79 149.53 99.25 0.54 0.21 95.72 3.52 0.13 0.14 0.04 0.00 0.21 0.24 59 P H H 71.41 9.72 11.69 22.60 91.85 -110.79 -57.17 -39.09 13.52 0.12 86.36 1.85 1.42 8.74 62.49 25.37 0.03 0.07 0.04 60 R H H 163.82 1.48 15.54 16.86 91.87 53.31 -64.96 -36.02 9.44 0.10 90.46 1.07 0.83 6.32 64.77 26.91 0.02 0.07 0.03 61 E H H 92.90 5.14 15.07 21.39 92.96 50.86 -68.13 -37.05 6.51 0.13 93.36 1.27 0.79 3.77 67.76 26.28 0.01 0.10 0.02 62 Y H H 62.10 14.37 11.34 25.74 93.29 51.88 -68.12 -36.19 13.08 0.35 86.57 4.24 2.22 6.49 69.54 17.15 0.04 0.21 0.12 63 A H H 59.05 5.70 14.30 21.45 92.28 60.87 -67.05 -27.37 44.10 0.97 54.92 10.81 5.88 27.47 42.63 12.07 0.12 0.54 0.49 64 T C T 92.99 2.41 16.01 18.50 96.22 53.85 -84.61 -11.50 58.54 1.23 40.22 16.97 8.86 33.25 29.41 10.13 0.08 0.62 0.67 65 I C C 69.95 11.75 10.58 22.67 102.11 82.85 -76.68 -11.03 71.75 2.02 26.24 34.55 22.49 15.14 20.95 4.87 0.04 0.78 1.19 66 S C C 66.08 6.14 13.10 20.40 105.90 68.84 -85.63 49.67 80.48 1.91 17.61 49.64 16.56 14.00 13.30 4.47 0.00 0.83 1.19 67 K C C 127.37 4.26 12.90 18.69 111.20 77.52 -86.78 132.37 77.48 1.53 20.99 36.95 28.67 12.37 13.80 6.64 0.01 0.63 0.93 68 P C C 82.94 6.68 11.39 19.41 106.39 -103.85 -72.58 129.36 75.82 1.66 22.52 45.75 14.72 14.98 12.82 10.03 0.01 0.86 0.83 69 K C C 142.18 3.62 12.60 17.84 105.60 -139.76 -87.07 49.10 72.68 4.12 23.21 46.15 15.80 10.59 13.29 10.06 0.02 2.16 1.94 70 K C C 120.99 6.32 12.60 20.32 110.40 105.66 -91.43 106.20 76.18 6.50 17.32 55.56 14.51 5.74 12.25 5.52 0.02 3.65 2.75 71 T C C 73.37 7.56 13.58 22.27 115.73 143.69 -101.61 136.61 73.73 10.77 15.50 57.07 11.07 4.73 11.35 4.67 0.02 6.24 4.86 72 V C C 58.89 12.84 10.96 23.98 111.24 -139.91 -91.12 117.92 74.37 9.56 16.07 51.41 14.71 7.81 10.88 5.50 0.03 5.64 4.03 73 Q C C 129.09 3.29 15.36 19.77 103.23 143.79 -95.33 -3.08 78.15 8.31 13.55 52.05 17.34 8.30 8.56 5.06 0.02 4.58 4.09 74 R C C 112.68 6.42 12.74 20.72 122.02 91.75 -96.56 151.90 76.86 7.38 15.76 35.69 31.61 9.62 8.40 6.58 0.09 3.15 4.83 75 A C T 70.85 6.01 13.72 20.96 95.78 -107.42 -64.98 -29.53 79.07 1.28 19.66 6.83 14.70 57.03 6.56 13.28 0.03 0.71 0.85 76 Y C T 129.29 6.60 13.42 21.13 99.45 39.60 -93.54 11.15 79.63 1.87 18.51 6.88 14.39 57.86 5.38 13.25 0.03 1.08 1.14 77 G C T 34.52 9.02 13.39 23.23 107.83 -114.20 54.67 47.81 79.59 5.26 15.15 23.33 23.27 33.43 4.65 9.92 0.06 2.40 2.94 78 G C T 41.75 6.32 15.26 22.56 105.76 -4.89 80.57 -39.77 81.35 3.31 15.34 20.94 24.76 36.41 4.46 10.02 0.03 1.61 1.77 79 S C S 64.72 6.63 15.74 23.09 101.60 49.20 -82.28 -11.31 71.47 5.69 22.84 16.55 28.44 27.87 9.60 11.45 0.22 2.91 2.97 80 R C S 138.07 5.60 17.22 23.71 100.55 46.58 -79.66 -18.83 60.40 14.88 24.73 18.14 23.44 20.01 14.26 8.29 1.20 6.44 8.21 81 C C C 39.77 11.97 15.28 27.84 103.03 51.90 -96.05 1.82 65.55 8.28 26.17 44.84 10.18 9.97 21.87 4.53 0.06 3.82 4.72 82 G H H 22.04 11.75 15.88 28.54 94.56 86.82 -63.19 -40.98 16.65 0.31 83.04 7.21 3.66 7.35 78.66 2.81 0.04 0.14 0.14 83 N H H 93.69 3.53 21.99 25.41 92.89 52.89 -66.99 -37.85 8.48 0.12 91.40 2.10 1.36 5.34 88.40 2.64 0.04 0.06 0.05 84 C H H 36.34 8.17 18.85 28.34 92.37 51.40 -65.45 -41.91 5.01 0.12 94.88 1.99 0.78 2.55 92.22 2.34 0.01 0.08 0.03 85 V H H 27.76 14.00 16.82 31.70 92.18 50.57 -64.48 -42.76 2.20 0.07 97.73 1.04 0.35 0.95 96.88 0.72 0.00 0.04 0.02 86 R H H 112.21 7.09 19.74 27.29 91.82 50.97 -63.23 -41.86 1.46 0.02 98.51 0.59 0.20 0.68 98.22 0.29 0.00 0.01 0.01 87 D H H 78.27 3.55 20.37 23.78 92.13 49.40 -65.23 -40.74 1.57 0.02 98.41 0.62 0.22 0.74 98.19 0.22 0.00 0.01 0.01 88 R H H 103.75 7.28 18.66 26.51 92.31 49.85 -65.72 -41.05 0.89 0.01 99.10 0.31 0.11 0.43 99.02 0.13 0.00 0.00 0.00 89 I H H 59.52 10.05 17.16 27.75 92.58 48.58 -65.15 -42.34 0.60 0.01 99.39 0.20 0.07 0.29 99.33 0.10 0.00 0.00 0.00 90 I H H 78.88 5.08 18.51 24.18 91.93 49.11 -64.16 -42.63 0.54 0.01 99.45 0.18 0.05 0.27 99.40 0.09 0.00 0.01 0.00 91 R H H 125.63 3.00 18.99 21.98 92.00 49.41 -64.62 -41.41 0.43 0.00 99.57 0.09 0.03 0.26 99.51 0.11 0.00 0.00 0.00 92 A H H 38.44 6.31 16.74 24.52 91.89 50.43 -64.22 -41.71 0.53 0.00 99.47 0.05 0.03 0.38 99.40 0.15 0.00 0.00 0.00 93 F H H 87.54 6.72 17.13 24.56 92.29 49.32 -65.24 -41.13 1.15 0.00 98.85 0.11 0.06 0.86 98.76 0.20 0.00 0.00 0.00 94 L H H 84.29 3.68 17.51 21.47 92.06 49.84 -64.99 -41.48 1.95 0.01 98.04 0.26 0.14 1.40 97.96 0.23 0.00 0.00 0.00 95 I H H 86.45 2.73 17.77 20.45 92.11 49.19 -64.68 -42.11 1.58 0.01 98.41 0.40 0.17 0.88 98.35 0.18 0.00 0.00 0.00 96 E H H 87.49 4.96 16.86 22.52 91.81 49.39 -64.78 -41.36 1.10 0.00 98.90 0.26 0.09 0.62 98.87 0.16 0.00 0.00 0.00 97 E H H 86.03 5.66 16.03 22.55 91.86 50.19 -64.98 -40.35 0.80 0.00 99.20 0.14 0.05 0.47 99.19 0.14 0.00 0.00 0.00 98 Q H H 94.95 3.05 16.97 20.19 91.87 51.15 -64.40 -40.59 0.53 0.00 99.47 0.07 0.03 0.32 99.48 0.10 0.00 0.00 0.00 99 K H H 112.30 2.31 17.61 19.56 92.11 50.54 -65.24 -40.98 0.80 0.00 99.20 0.10 0.04 0.53 99.22 0.10 0.00 0.00 0.00 100 I H H 73.49 4.51 16.15 21.51 92.08 49.18 -64.74 -42.21 0.58 0.00 99.42 0.10 0.04 0.35 99.43 0.08 0.00 0.00 0.00 101 V H H 69.56 4.33 15.86 20.83 91.88 49.56 -64.28 -42.21 0.33 0.00 99.67 0.07 0.02 0.16 99.69 0.05 0.00 0.00 0.00 102 K H H 113.45 2.18 17.12 18.99 91.71 50.00 -64.30 -41.04 0.30 0.00 99.70 0.05 0.02 0.17 99.71 0.05 0.00 0.00 0.00 103 K H H 112.00 2.27 17.01 19.03 91.82 49.82 -64.75 -41.32 0.31 0.00 99.69 0.04 0.02 0.19 99.71 0.05 0.00 0.00 0.00 104 V H H 67.80 3.95 15.48 20.15 91.90 49.65 -64.12 -42.38 0.29 0.00 99.71 0.04 0.02 0.16 99.74 0.04 0.00 0.00 0.00 105 L H H 85.83 2.86 15.81 18.88 91.72 49.72 -64.03 -41.58 0.38 0.00 99.62 0.06 0.02 0.21 99.66 0.05 0.00 0.00 0.00 106 K H H 119.57 1.74 16.20 17.41 91.76 50.13 -64.67 -40.95 0.52 0.00 99.47 0.08 0.03 0.30 99.53 0.06 0.00 0.00 0.00 107 E H H 103.13 2.22 15.74 17.92 91.96 49.61 -65.00 -40.46 0.59 0.00 99.41 0.09 0.04 0.33 99.46 0.08 0.00 0.00 0.00 108 Q H H 99.84 2.39 15.41 17.80 91.85 49.90 -65.11 -40.58 0.78 0.00 99.21 0.14 0.06 0.43 99.28 0.09 0.00 0.00 0.00 109 S H H 57.52 1.97 14.97 16.91 91.74 50.19 -64.31 -41.16 1.06 0.00 98.93 0.20 0.08 0.58 99.01 0.12 0.00 0.00 0.00 110 Q H H 99.98 1.79 14.99 16.52 91.91 50.49 -64.72 -40.99 1.02 0.00 98.98 0.21 0.09 0.55 99.00 0.15 0.00 0.00 0.00 111 A H H 57.92 2.09 13.86 16.35 91.66 50.33 -64.44 -40.79 1.26 0.01 98.74 0.26 0.11 0.70 98.73 0.20 0.00 0.00 0.00 112 E H H 113.55 1.55 13.98 15.25 92.00 50.05 -65.27 -40.41 1.96 0.01 98.03 0.40 0.19 1.14 97.96 0.30 0.00 0.00 0.00 113 K H H 122.40 1.41 12.92 14.18 92.22 50.32 -64.96 -40.28 3.97 0.03 96.00 0.88 0.42 2.37 95.79 0.50 0.00 0.01 0.01 114 K H H 124.88 1.46 11.95 13.58 92.28 50.16 -66.17 -38.73 8.31 0.06 91.63 2.10 1.01 4.86 90.99 0.99 0.01 0.03 0.02 115 A H H 72.19 1.68 10.35 12.78 92.71 52.48 -66.93 -35.50 18.76 0.12 81.12 3.78 2.15 12.47 79.44 2.02 0.02 0.05 0.06 116 S H H 87.61 1.04 9.51 10.85 94.69 53.81 -73.93 -21.61 40.12 0.31 59.57 8.21 4.78 27.38 56.68 2.63 0.03 0.12 0.18 117 K C C 155.39 1.25 8.22 10.39 99.38 64.94 -79.26 -8.11 66.71 0.41 32.88 37.73 2.05 25.71 32.10 1.99 0.00 0.17 0.25 118 K C C 153.92 1.80 9.99 13.09 105.30 74.25 -80.24 74.79 99.90 0.03 0.06 99.69 0.11 0.13 0.04 0.00 0.00 0.02 0.01