# 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 97.65 7.71 10.51 19.33 110.62 -135.15 -83.94 128.40 99.93 0.02 0.04 99.84 0.08 0.05 0.02 0.00 0.00 0.01 0.00 1 D C C 94.14 2.83 11.30 15.31 108.42 -133.06 -80.43 116.56 83.15 0.40 16.45 79.44 0.66 2.64 16.34 0.57 0.00 0.13 0.23 2 K H H 140.22 2.62 10.41 14.55 94.94 -146.40 -65.61 -33.93 24.80 0.24 74.96 14.96 4.23 6.12 72.81 1.68 0.00 0.09 0.11 3 K H H 130.47 2.07 12.42 15.27 93.17 53.72 -66.16 -39.70 12.69 0.16 87.15 6.55 2.25 4.39 84.77 1.89 0.01 0.07 0.06 4 S H H 53.59 2.90 12.82 16.95 92.93 51.10 -65.84 -40.38 8.04 0.15 91.81 4.70 1.28 2.53 89.44 1.92 0.00 0.08 0.05 5 A H H 48.58 3.51 13.06 18.09 92.14 51.29 -64.63 -41.16 5.93 0.15 93.92 3.39 0.88 2.00 92.10 1.50 0.00 0.08 0.04 6 R H H 124.77 3.52 14.64 19.13 92.65 51.15 -65.38 -40.82 5.93 0.25 93.82 3.19 0.88 2.19 92.24 1.28 0.01 0.16 0.06 7 I H H 88.89 3.97 15.08 20.10 92.63 50.21 -65.38 -41.03 7.62 0.43 91.95 4.28 1.05 2.57 90.54 1.18 0.01 0.28 0.09 8 R H H 137.67 2.42 16.47 19.14 92.53 50.55 -65.27 -40.73 12.13 0.47 87.40 6.98 1.56 3.70 86.26 1.10 0.01 0.26 0.13 9 R H H 126.74 3.37 16.79 20.68 92.93 49.69 -66.77 -39.61 19.17 0.48 80.35 11.76 2.34 4.91 79.47 1.13 0.00 0.23 0.16 10 A H H 39.72 7.17 14.85 23.75 92.61 51.36 -66.34 -39.64 32.15 0.30 67.54 23.81 2.35 4.47 68.27 0.88 0.00 0.13 0.10 11 T H H 63.74 4.51 16.77 22.21 93.02 51.24 -65.54 -40.90 29.76 0.31 69.93 22.57 2.28 3.92 70.06 0.94 0.00 0.13 0.10 12 R H H 128.99 2.45 18.51 20.56 92.84 50.48 -65.45 -40.71 14.86 0.22 84.92 10.26 1.73 2.96 83.78 1.09 0.00 0.10 0.07 13 A H H 39.12 7.08 15.79 24.48 92.41 51.46 -64.90 -40.78 11.34 0.16 88.49 7.17 1.35 2.93 87.20 1.22 0.00 0.08 0.05 14 R H H 107.31 8.51 16.18 25.57 92.22 51.67 -64.20 -40.46 7.42 0.10 92.48 4.24 0.96 2.32 91.14 1.25 0.00 0.06 0.03 15 R H H 132.69 2.90 17.89 21.07 92.21 51.44 -64.81 -40.47 5.18 0.09 94.72 2.50 0.74 2.03 93.29 1.36 0.00 0.05 0.02 16 K H H 112.60 3.28 17.93 21.54 92.55 50.24 -65.78 -39.81 5.80 0.13 94.08 2.60 0.79 2.50 92.33 1.66 0.01 0.08 0.03 17 L H H 50.98 11.84 13.63 26.35 92.85 50.69 -66.78 -38.85 6.48 0.13 93.39 2.69 0.94 2.99 90.99 2.27 0.01 0.08 0.04 18 Q H H 98.83 7.45 15.53 23.99 92.75 53.39 -66.03 -36.91 10.07 0.14 89.79 3.22 1.31 5.55 86.24 3.52 0.02 0.08 0.05 19 E H H 135.36 1.95 17.05 18.98 93.95 52.55 -71.21 -28.67 19.78 0.18 80.04 3.64 2.26 13.66 76.68 3.55 0.04 0.09 0.09 20 L H H 88.00 6.99 15.07 23.09 97.24 54.16 -81.27 -12.17 49.67 0.38 49.95 6.20 6.78 36.31 46.81 3.44 0.07 0.15 0.25 21 G C T 37.29 7.36 18.15 26.31 102.70 -112.89 81.12 12.15 93.79 0.84 5.37 25.21 12.73 56.56 3.13 1.63 0.00 0.46 0.27 22 A C C 31.80 13.73 18.03 32.08 112.38 137.58 -87.08 136.22 91.09 7.63 1.28 63.53 23.14 4.19 0.29 0.95 0.00 7.26 0.63 23 T C E 20.90 19.55 19.31 38.34 119.06 -149.75 -100.99 135.87 52.35 47.20 0.44 45.12 3.90 0.79 0.09 0.29 0.00 49.40 0.42 24 R E E 59.39 16.20 25.63 40.81 127.90 -167.16 -125.48 139.43 5.40 94.57 0.03 4.86 0.41 0.04 0.01 0.01 0.00 94.51 0.17 25 L E E 5.88 25.33 21.77 47.11 120.58 -156.82 -113.12 129.90 0.84 99.16 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.01 26 V E E 21.09 15.15 27.69 43.22 119.06 -164.98 -115.28 126.78 0.24 99.76 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 27 V E E 6.88 24.39 21.28 45.62 117.73 -163.67 -111.45 124.51 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 28 H E E 49.89 12.33 26.37 38.83 121.00 -169.82 -117.51 128.57 0.49 99.51 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 29 R E E 73.86 17.36 19.49 35.76 116.63 -156.92 -104.29 123.88 6.30 93.70 0.01 5.51 0.40 0.03 0.00 0.01 0.00 93.93 0.12 30 T C C 30.81 10.23 19.09 30.41 131.77 169.44 -121.99 174.53 81.75 18.22 0.03 79.44 1.23 0.08 0.00 0.01 0.00 18.99 0.25 31 P C S 86.31 6.85 17.58 25.51 91.72 -93.80 -63.52 -28.21 99.63 0.23 0.14 2.63 76.08 20.98 0.01 0.12 0.00 0.15 0.04 32 R C S 131.58 5.86 17.91 24.37 103.23 26.96 -107.30 -17.37 99.51 0.34 0.16 2.03 76.60 20.95 0.01 0.13 0.00 0.24 0.04 33 H E E 58.48 10.67 20.98 32.19 142.43 12.17 -154.92 158.65 36.12 63.83 0.05 28.14 6.56 0.30 0.01 0.04 0.00 64.54 0.40 34 I E E 8.06 23.67 17.49 41.80 119.98 -133.75 -111.50 129.65 1.70 98.30 0.00 1.62 0.04 0.00 0.00 0.00 0.00 98.31 0.02 35 Y E E 40.67 13.46 26.90 40.86 123.98 -168.74 -119.47 138.61 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 36 A E E 2.11 26.17 20.29 46.97 128.91 -171.43 -129.06 143.74 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 37 Q E E 30.23 15.84 28.54 44.38 127.78 -169.53 -127.21 140.20 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 38 V E E 3.23 25.05 23.06 48.52 117.64 -152.58 -107.16 126.99 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 39 I E E 17.17 16.22 23.79 40.51 126.57 -171.86 -121.82 140.71 0.93 99.07 0.00 0.88 0.03 0.00 0.00 0.00 0.00 98.96 0.13 40 A C C 15.13 14.55 19.30 34.87 117.96 -116.54 -74.14 154.63 69.73 30.22 0.04 68.03 0.98 0.08 0.01 0.03 0.00 30.53 0.34 41 P C T 54.88 14.91 15.90 30.97 92.00 -108.98 -61.17 -25.65 96.40 0.64 2.96 2.01 10.32 83.47 0.08 3.50 0.00 0.47 0.14 42 N C T 109.31 2.67 19.81 22.33 94.06 55.93 -86.95 0.82 96.15 0.45 3.39 1.51 9.37 84.68 0.10 3.90 0.00 0.28 0.16 43 G C S 31.29 13.16 13.00 25.96 96.98 -106.39 82.77 6.08 94.49 1.53 3.98 17.35 45.11 31.13 0.21 4.79 0.00 0.94 0.46 44 S C C 70.71 4.36 18.56 23.70 97.22 110.82 -85.08 -21.46 96.92 2.17 0.91 45.14 38.52 13.34 0.13 0.88 0.00 1.55 0.43 45 E C C 99.36 6.14 19.65 26.64 122.51 51.55 -113.82 137.77 67.40 32.05 0.55 48.22 18.77 1.28 0.16 0.45 0.00 27.56 3.56 46 V E E 57.85 16.43 16.34 32.17 111.41 -132.96 -84.97 122.19 4.79 95.17 0.03 4.64 0.28 0.03 0.01 0.02 0.00 94.53 0.50 47 L E E 40.62 15.73 21.16 36.68 99.65 177.62 -91.75 -32.62 2.59 97.40 0.01 1.37 1.07 0.03 0.00 0.00 0.00 97.50 0.03 48 V E E 11.11 20.57 21.97 42.58 141.15 2.00 -153.48 149.37 0.22 99.78 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.80 0.00 49 A E E 34.30 18.99 24.24 41.26 134.24 -171.42 -138.90 144.67 0.23 99.77 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 50 A E E 6.89 22.42 22.46 44.28 134.93 -175.78 -140.57 149.97 0.78 99.21 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.18 0.04 51 S E E 22.88 15.80 24.67 40.04 133.77 -172.34 -136.22 150.88 10.40 89.50 0.10 9.21 0.90 0.12 0.03 0.06 0.00 89.27 0.40 52 T C S 23.30 20.56 17.75 37.68 96.95 -139.22 -81.05 -8.19 75.25 19.05 5.70 28.65 32.44 15.36 1.69 3.31 0.02 17.35 1.18 53 V C C 76.47 9.47 21.72 31.32 95.87 72.40 -87.63 -7.06 86.24 4.75 9.02 35.77 30.88 20.68 4.19 4.19 0.02 2.97 1.32 54 E C C 66.09 13.51 14.60 28.54 112.88 104.39 -77.60 128.05 74.06 1.82 24.12 48.47 19.97 5.63 20.75 3.50 0.01 0.72 0.94 55 K H H 145.58 2.81 17.95 21.91 93.71 -142.93 -63.27 -36.24 14.62 0.19 85.19 3.56 3.10 8.75 79.69 4.64 0.07 0.09 0.10 56 A H H 52.55 5.12 19.78 25.56 92.19 54.13 -65.26 -38.44 11.44 0.21 88.35 2.79 1.83 7.40 82.28 5.41 0.08 0.12 0.09 57 I H H 7.40 22.68 14.07 36.68 92.56 48.44 -66.58 -41.58 6.48 0.18 93.34 2.10 1.10 3.67 87.79 5.13 0.03 0.12 0.06 58 A H H 32.70 14.66 17.06 31.63 92.00 53.78 -62.51 -41.54 4.72 0.11 95.17 1.58 0.72 2.59 90.70 4.29 0.02 0.07 0.03 59 E H H 121.58 1.74 23.36 23.28 92.06 50.48 -65.78 -38.96 8.03 0.10 91.87 1.39 0.93 5.68 85.06 6.82 0.04 0.06 0.04 60 Q H H 68.05 9.58 18.81 29.07 92.78 49.29 -68.63 -34.93 12.31 0.11 87.57 2.01 1.46 8.69 80.25 7.43 0.05 0.06 0.05 61 L H H 14.13 22.54 11.94 33.60 94.08 56.23 -71.13 -29.17 24.56 0.31 75.13 8.78 3.98 12.28 65.49 9.14 0.03 0.15 0.16 62 K H H 134.53 4.53 18.56 24.41 93.48 62.58 -68.12 -29.46 37.22 0.54 62.24 8.86 5.16 23.56 52.97 8.80 0.08 0.27 0.29 63 Y H H 165.46 2.30 17.64 19.98 99.88 40.26 -91.28 -16.14 48.35 0.65 51.00 8.68 9.55 30.82 43.26 6.89 0.11 0.27 0.42 64 T C H 64.64 8.52 15.47 24.66 104.94 37.14 -103.25 -11.38 65.75 1.16 33.09 19.03 21.78 26.19 27.95 3.82 0.05 0.40 0.79 65 G C C 41.91 9.88 16.96 27.09 99.47 -125.85 78.59 14.69 96.14 1.32 2.54 57.92 20.67 17.88 1.22 1.06 0.00 0.62 0.63 66 N C C 65.14 9.79 19.16 29.52 112.49 141.14 -90.79 124.38 91.27 2.70 6.03 72.49 16.45 1.42 6.17 0.56 0.00 0.62 2.30 67 K H H 87.47 15.96 18.08 32.84 94.70 -161.51 -65.83 -35.02 5.29 0.03 94.68 1.54 1.16 2.41 94.37 0.50 0.00 0.01 0.01 68 D H H 89.86 4.18 26.28 31.04 91.78 53.70 -64.61 -40.27 1.86 0.01 98.13 0.39 0.19 1.09 97.92 0.40 0.00 0.00 0.00 69 A H H 11.24 16.97 22.73 39.81 91.68 50.21 -64.54 -42.08 0.35 0.00 99.65 0.06 0.02 0.19 99.47 0.25 0.00 0.00 0.00 70 A H H 1.36 26.67 21.66 48.44 91.38 51.42 -63.92 -42.60 0.14 0.00 99.86 0.02 0.01 0.09 99.77 0.11 0.00 0.00 0.00 71 A H H 27.69 15.04 28.17 43.03 91.50 50.96 -63.70 -42.50 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 72 A H H 29.05 9.46 30.25 41.78 91.34 50.53 -63.48 -42.65 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 73 V H H 1.60 26.24 27.39 53.23 91.71 49.44 -64.37 -43.66 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 74 G H H 0.54 27.46 25.72 53.15 91.44 50.88 -62.92 -43.36 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 75 K H H 80.01 11.07 30.06 42.15 91.44 50.36 -63.74 -41.90 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 76 A H H 19.47 11.91 29.01 42.53 91.30 50.20 -63.44 -43.14 0.15 0.00 99.85 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 77 V H H 1.27 26.67 26.35 52.75 91.60 49.23 -64.48 -43.84 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 78 A H H 2.20 25.32 23.57 48.47 91.16 51.24 -63.02 -43.18 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 79 E H H 86.13 5.98 28.98 35.97 91.30 50.23 -63.23 -42.52 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 80 R H H 65.86 10.60 25.70 36.71 91.71 49.31 -64.75 -41.58 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 81 A H H 1.20 26.25 16.30 43.46 91.08 50.86 -63.32 -43.16 0.22 0.00 99.78 0.01 0.01 0.16 99.75 0.06 0.00 0.00 0.00 82 L H H 60.95 14.79 19.10 33.24 91.36 50.29 -63.02 -41.23 0.69 0.00 99.31 0.03 0.02 0.59 99.00 0.36 0.00 0.00 0.00 83 E H H 144.90 1.45 21.65 22.20 90.01 53.50 -64.83 -28.50 6.29 0.00 93.70 0.07 0.11 6.52 92.87 0.42 0.00 0.00 0.00 84 K C T 96.76 9.54 16.54 26.89 92.90 53.28 -88.03 0.30 79.58 0.01 20.40 0.20 0.63 78.73 19.88 0.55 0.00 0.00 0.01 85 G C T 41.77 4.40 22.68 27.54 99.33 -99.22 93.23 10.33 99.88 0.00 0.11 0.68 0.60 98.67 0.04 0.01 0.00 0.00 0.00 86 I C C 10.01 24.51 10.40 34.82 111.52 151.30 -78.49 123.25 88.37 11.55 0.08 88.71 0.40 0.06 0.02 0.03 0.00 10.30 0.49 87 K C C 124.35 4.77 23.40 29.21 101.60 174.23 -104.93 -16.47 77.74 22.16 0.10 65.02 10.64 0.44 0.01 0.10 0.00 23.41 0.39 88 D E E 64.98 9.01 24.97 34.72 128.15 39.06 -132.68 138.46 12.66 87.20 0.15 10.28 2.01 0.26 0.03 0.09 0.00 87.06 0.27 89 V E E 6.40 25.89 16.55 42.87 127.96 -171.46 -132.47 138.52 2.15 97.81 0.05 2.00 0.11 0.02 0.02 0.01 0.00 97.70 0.14 90 S E E 29.05 13.00 27.16 40.31 127.74 -169.45 -122.15 142.99 2.91 97.05 0.04 2.75 0.13 0.02 0.02 0.01 0.00 96.90 0.17 91 F E E 17.82 23.64 18.08 41.29 127.14 -165.54 -123.33 137.78 18.44 81.49 0.06 17.77 0.56 0.06 0.02 0.03 0.00 81.13 0.43 92 D C C 59.23 10.10 22.61 32.97 108.84 -140.93 -94.91 113.42 55.57 44.14 0.29 48.32 4.98 0.67 0.07 0.22 0.00 44.76 0.97 93 R C C 63.70 16.98 13.62 30.40 101.07 174.29 -101.18 9.48 85.86 8.41 5.73 67.95 9.60 7.80 1.17 5.04 0.00 6.46 1.98 94 S C T 74.30 4.94 14.89 21.51 105.97 135.25 -66.90 115.77 87.73 3.38 8.88 22.07 17.00 48.57 1.20 7.85 0.01 2.02 1.27 95 G C T 59.86 1.76 15.82 17.29 98.20 6.51 83.55 -1.09 88.01 1.44 10.55 11.22 25.31 51.39 1.13 9.49 0.00 0.79 0.67 96 F C C 92.05 11.68 10.03 21.88 120.74 100.88 -100.90 147.62 86.96 4.45 8.59 43.28 31.05 12.39 1.75 6.92 0.01 2.12 2.48 97 Q C C 128.74 2.48 18.30 21.05 113.93 -121.29 -92.01 136.75 92.30 3.53 4.17 63.18 19.30 9.70 1.09 3.17 0.00 1.99 1.58 98 Y C C 94.57 15.97 10.87 25.97 115.57 -128.89 -93.62 127.97 92.77 3.58 3.65 74.33 12.77 5.40 1.64 1.95 0.00 1.70 2.22 99 H C C 100.07 5.57 16.82 23.80 130.44 168.51 -136.56 158.03 94.51 1.28 4.20 81.94 9.74 2.38 3.93 0.69 0.00 0.47 0.86 100 G H H 44.00 3.64 19.80 23.85 112.85 -26.42 63.64 -134.81 24.38 0.15 75.47 4.86 11.34 8.26 74.33 1.04 0.03 0.04 0.10 101 R H H 79.32 15.77 19.30 34.21 93.09 -6.08 -67.07 -33.74 4.89 0.03 95.08 0.97 0.80 2.92 94.55 0.72 0.01 0.01 0.01 102 V H H 7.00 24.42 17.98 42.02 91.71 54.20 -64.16 -41.82 1.59 0.02 98.39 0.47 0.18 0.81 98.05 0.47 0.00 0.01 0.00 103 Q H H 77.48 9.91 25.18 35.15 91.60 52.55 -63.13 -41.27 0.35 0.00 99.65 0.08 0.03 0.16 99.57 0.16 0.00 0.00 0.00 104 A H H 27.38 8.86 25.66 35.75 91.52 51.24 -64.17 -42.13 0.18 0.00 99.82 0.03 0.01 0.10 99.81 0.06 0.00 0.00 0.00 105 L H H 3.92 25.05 23.33 47.75 91.97 49.65 -64.74 -42.80 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 106 A H H 7.19 21.30 22.97 43.71 91.24 50.42 -62.30 -43.44 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 107 D H H 73.17 4.05 28.53 32.81 91.44 50.00 -63.65 -41.69 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 108 A H H 13.10 13.46 22.61 37.17 91.42 50.70 -63.42 -42.79 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 109 A H H 2.15 25.43 16.36 42.35 91.07 50.45 -63.29 -43.10 0.34 0.00 99.66 0.05 0.02 0.22 99.62 0.09 0.00 0.00 0.00 110 R H H 122.90 8.53 20.56 29.75 91.57 50.14 -62.88 -41.27 0.98 0.00 99.02 0.13 0.07 0.70 98.85 0.24 0.00 0.00 0.00 111 E H H 137.70 2.00 21.34 23.04 90.42 52.85 -64.65 -29.70 5.64 0.00 94.35 0.14 0.17 5.31 94.07 0.30 0.00 0.00 0.00 112 A C T 31.93 14.01 14.19 28.99 92.82 53.70 -85.82 -0.95 75.06 0.02 24.92 0.30 0.72 73.13 25.35 0.48 0.00 0.00 0.02 113 G C T 50.46 2.61 21.74 24.24 96.81 -103.23 86.93 10.73 99.67 0.01 0.32 1.14 0.87 97.80 0.14 0.04 0.00 0.00 0.00 114 L C C 18.29 22.52 9.34 30.96 117.85 140.37 -87.93 138.50 97.95 1.84 0.21 95.85 1.90 0.48 0.08 0.10 0.00 1.23 0.38 115 Q C C 124.80 2.70 22.35 25.23 114.25 -142.81 -95.58 129.34 72.07 27.61 0.33 72.33 0.75 0.62 0.14 0.13 0.00 18.76 7.26 116 F C C 49.48 21.61 13.72 33.88 116.33 -157.67 -98.35 129.41 96.16 3.82 0.01 96.98 0.11 0.01 0.00 0.00 0.00 2.68 0.21