# 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 58.16 14.78 21.16 35.29 123.54 -165.97 -110.57 140.57 99.57 0.42 0.01 99.58 0.10 0.03 0.00 0.00 0.00 0.27 0.03 1 A C C 14.09 19.76 16.79 36.29 121.43 -154.32 -107.12 137.39 65.54 34.32 0.13 63.80 1.09 0.21 0.04 0.06 0.00 33.75 1.04 2 R E E 108.45 8.39 22.29 31.02 120.43 -149.50 -112.28 130.34 8.49 91.38 0.13 7.64 0.88 0.13 0.07 0.06 0.00 89.03 2.19 3 I E E 12.72 22.75 13.78 36.35 117.11 -170.85 -119.68 119.34 5.54 94.23 0.22 3.43 1.66 0.56 0.13 0.13 0.00 88.72 5.39 4 A C T 42.60 13.27 16.32 30.18 93.29 -18.64 54.82 39.72 99.13 0.57 0.29 0.70 3.08 95.53 0.02 0.21 0.00 0.40 0.06 5 G C T 58.36 2.39 18.65 21.35 94.49 -51.00 80.31 2.74 99.69 0.14 0.16 0.74 3.56 95.44 0.01 0.13 0.00 0.10 0.02 6 V E E 45.84 13.40 12.79 27.13 121.79 110.21 -107.93 136.42 6.30 93.64 0.06 3.78 2.28 0.34 0.03 0.04 0.00 88.79 4.74 7 N E E 101.60 4.33 21.55 26.72 109.48 -127.45 -85.34 119.01 13.04 86.93 0.03 10.89 1.83 0.15 0.01 0.02 0.00 85.18 1.92 8 I C C 10.56 24.12 10.97 34.89 116.89 -163.36 -102.45 127.51 80.06 19.90 0.05 76.39 3.03 0.11 0.01 0.03 0.00 19.60 0.83 9 P C C 54.50 6.17 21.74 28.60 113.12 -111.54 -67.33 144.41 95.96 3.79 0.24 94.01 1.51 0.72 0.04 0.19 0.00 2.83 0.70 10 D C T 76.78 12.31 15.46 27.81 94.40 -118.62 -64.47 -21.39 98.97 0.28 0.74 2.11 9.85 87.02 0.08 0.65 0.00 0.15 0.14 11 N C T 106.72 4.91 20.15 25.82 94.97 55.92 -88.58 5.52 98.98 0.43 0.59 3.49 7.27 88.23 0.06 0.56 0.00 0.30 0.08 12 K C C 56.95 14.60 17.12 31.99 121.02 108.79 -87.64 146.10 92.41 7.29 0.30 62.83 29.64 0.62 0.09 0.22 0.00 3.76 2.84 13 H E B 54.18 13.24 24.72 37.76 119.02 -113.63 -74.73 154.00 15.13 84.72 0.15 12.05 0.31 0.02 0.13 0.01 0.00 7.46 80.03 14 A H H 2.44 26.27 20.56 47.64 91.11 -112.09 -58.98 -39.51 4.07 0.01 95.92 0.11 0.17 4.10 92.43 3.15 0.02 0.00 0.00 15 V H H 19.38 20.80 24.64 44.25 91.55 54.53 -63.70 -40.65 1.66 0.00 98.34 0.03 0.05 1.93 94.50 3.47 0.01 0.00 0.00 16 I H H 42.39 11.91 27.69 40.32 91.91 50.16 -65.38 -40.69 0.58 0.00 99.42 0.02 0.02 0.57 95.13 4.25 0.00 0.00 0.00 17 S H H 3.62 23.60 23.22 46.37 91.74 51.59 -65.73 -41.22 1.08 0.01 98.92 0.07 0.06 0.89 92.28 6.69 0.00 0.00 0.00 18 L H H 2.53 26.65 21.50 48.31 91.61 53.38 -66.48 -33.79 3.57 0.05 96.39 0.13 0.20 3.50 72.94 23.16 0.02 0.03 0.02 19 T H H 43.13 15.61 23.48 38.40 91.30 62.03 -69.65 -22.10 20.57 0.09 79.34 0.40 0.60 21.10 54.69 23.03 0.07 0.05 0.06 20 Y C T 83.95 13.45 23.81 37.16 93.66 58.01 -82.78 -9.48 55.34 0.20 44.46 1.31 2.89 51.97 26.11 17.39 0.05 0.09 0.19 21 I C S 8.81 24.44 17.17 41.77 117.20 91.76 -88.28 134.41 93.82 3.30 2.89 8.84 80.48 2.97 3.06 0.24 0.02 0.60 3.78 22 F C T 80.10 13.66 23.37 36.29 108.95 -97.89 -67.26 125.10 98.26 0.46 1.29 0.55 8.92 89.17 0.46 0.41 0.00 0.17 0.32 23 G C T 35.47 8.51 23.03 32.23 95.87 13.86 85.12 -0.34 99.73 0.07 0.20 1.38 8.61 89.79 0.06 0.09 0.00 0.04 0.02 24 V C C 7.77 24.30 12.57 37.08 116.70 121.86 -103.17 127.18 96.81 3.00 0.19 81.68 13.62 0.47 0.13 0.07 0.00 0.69 3.33 25 G C C 28.78 5.91 24.46 30.21 129.52 -162.32 -98.93 171.93 99.65 0.25 0.11 98.40 1.23 0.07 0.07 0.01 0.00 0.06 0.16 26 R H H 122.29 12.35 16.41 28.64 91.84 -94.79 -59.72 -38.14 2.06 0.00 97.94 0.31 0.32 1.12 98.10 0.16 0.00 0.00 0.00 27 T H H 86.58 2.16 23.57 24.49 91.80 51.68 -64.23 -41.34 1.45 0.00 98.55 0.20 0.13 0.93 98.55 0.19 0.00 0.00 0.00 28 T H H 27.85 13.35 20.26 34.06 92.10 48.60 -65.57 -41.44 0.45 0.00 99.55 0.11 0.03 0.23 99.50 0.13 0.00 0.00 0.00 29 A H H 2.17 25.58 15.60 41.69 91.03 51.10 -62.75 -43.24 0.07 0.00 99.93 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 30 Q H H 81.70 9.62 23.43 33.05 91.36 51.23 -63.17 -41.41 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 31 K H H 104.79 3.70 26.01 29.37 91.72 50.35 -64.31 -42.09 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 32 I H H 6.75 21.98 20.00 41.99 91.56 48.89 -64.22 -43.94 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 33 L H H 8.66 22.25 17.42 39.64 91.42 50.52 -62.85 -42.82 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 34 E H H 129.52 2.60 22.42 25.17 91.53 50.01 -63.24 -40.64 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.06 0.00 0.00 0.00 35 A H H 57.27 7.92 19.54 28.14 91.12 52.72 -66.42 -32.20 1.49 0.00 98.51 0.01 0.02 1.55 98.29 0.12 0.00 0.00 0.00 36 V H H 22.39 19.04 14.37 33.45 95.45 42.38 -93.33 -3.83 41.33 0.01 58.66 0.17 0.60 41.63 57.06 0.52 0.01 0.00 0.01 37 G C T 55.03 2.10 22.78 24.57 94.63 -115.57 75.03 22.89 99.91 0.00 0.09 2.08 0.77 97.10 0.03 0.01 0.00 0.00 0.00 38 I C C 15.58 22.46 10.33 32.19 119.79 143.05 -96.64 137.11 99.33 0.64 0.03 95.55 3.57 0.03 0.02 0.01 0.00 0.12 0.71 39 A C C 56.15 3.98 23.59 27.04 114.47 -112.06 -71.96 141.95 99.85 0.12 0.04 99.53 0.30 0.05 0.01 0.01 0.00 0.03 0.07 40 P C T 55.56 17.30 13.22 30.00 91.30 -124.35 -62.18 -24.32 99.72 0.07 0.21 0.89 3.95 94.91 0.01 0.17 0.00 0.03 0.03 41 T C T 101.53 2.35 20.99 23.45 94.44 58.35 -91.32 -0.51 99.70 0.10 0.20 1.06 3.16 95.50 0.01 0.20 0.00 0.06 0.02 42 T C C 26.30 14.80 13.92 30.04 116.74 122.37 -71.05 142.87 99.30 0.66 0.04 61.70 37.60 0.14 0.01 0.03 0.00 0.29 0.23 43 K E B 82.14 6.80 24.13 31.26 118.00 -120.34 -81.84 147.91 22.38 77.58 0.03 18.48 0.29 0.01 0.03 0.00 0.00 4.33 76.86 44 V H G 7.08 25.49 12.91 38.99 90.89 -118.52 -58.23 -36.35 7.33 0.07 92.59 0.54 0.60 4.75 0.46 93.60 0.00 0.06 0.00 45 S H G 64.23 8.40 19.83 29.08 89.55 63.53 -66.91 -19.06 6.67 0.02 93.31 0.11 0.29 5.13 0.28 94.17 0.00 0.01 0.00 46 Q H G 116.74 3.22 21.46 24.88 93.86 55.57 -92.00 -3.00 7.16 0.03 92.81 0.35 0.60 4.52 0.32 94.20 0.00 0.01 0.00 47 L C C 13.34 23.92 7.76 30.10 117.01 108.65 -75.43 138.71 99.13 0.51 0.35 60.19 38.51 0.24 0.14 0.14 0.00 0.09 0.68 48 D C C 76.59 2.54 21.14 22.62 125.45 -142.37 -92.70 169.04 99.59 0.26 0.15 98.90 0.66 0.04 0.11 0.01 0.00 0.05 0.23 49 D H H 106.75 4.29 14.21 20.51 91.10 -96.24 -59.30 -37.29 1.29 0.00 98.71 0.18 0.22 0.74 98.55 0.30 0.00 0.00 0.00 50 I H H 114.34 1.62 18.57 19.13 91.72 52.54 -64.31 -40.98 0.51 0.00 99.49 0.05 0.04 0.35 99.23 0.33 0.00 0.00 0.00 51 Q H H 46.14 14.02 16.34 30.62 92.29 48.62 -66.21 -40.38 0.20 0.00 99.80 0.03 0.01 0.12 99.50 0.34 0.00 0.00 0.00 52 L H H 17.23 19.41 14.99 34.50 91.55 51.40 -62.57 -42.94 0.06 0.00 99.94 0.01 0.00 0.03 99.91 0.04 0.00 0.00 0.00 53 D H H 83.89 2.87 23.18 25.35 91.50 50.52 -63.69 -40.40 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 54 A H H 41.44 5.84 21.61 28.22 91.52 50.96 -64.15 -41.78 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 55 I H H 5.44 23.60 16.57 40.40 91.40 49.50 -63.97 -43.52 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 56 R H H 88.90 14.13 20.18 33.51 91.39 51.67 -62.15 -41.60 0.20 0.00 99.80 0.02 0.01 0.12 99.77 0.07 0.00 0.00 0.00 57 A H H 62.38 2.09 23.11 23.43 91.55 50.71 -64.56 -40.94 0.60 0.00 99.40 0.04 0.02 0.46 99.15 0.33 0.00 0.00 0.00 58 Q H H 56.16 10.37 19.38 30.49 92.06 49.52 -66.42 -40.29 1.91 0.00 98.09 0.11 0.08 1.60 97.58 0.63 0.00 0.00 0.00 59 V H H 8.87 22.99 13.41 36.14 92.59 50.00 -68.02 -37.13 7.86 0.03 92.12 0.95 0.68 5.79 91.18 1.37 0.01 0.01 0.01 60 A H H 59.55 8.06 16.90 26.03 91.15 61.87 -66.48 -24.92 42.07 0.27 57.66 8.56 3.21 29.41 54.16 4.34 0.02 0.12 0.17 61 N C T 121.79 1.50 19.28 19.86 93.79 54.93 -83.35 -11.20 68.41 0.39 31.20 16.66 5.27 45.34 27.71 4.62 0.01 0.19 0.21 62 Y C C 68.36 15.95 11.71 27.20 112.16 86.05 -92.82 114.11 85.05 1.48 13.47 60.03 12.91 11.57 11.04 3.01 0.00 0.80 0.63 63 M C C 116.08 5.83 17.09 24.49 114.24 -151.11 -94.56 125.99 87.94 7.35 4.71 81.77 3.60 2.50 3.87 1.04 0.00 4.45 2.78 64 T C C 46.98 14.83 11.01 25.61 120.90 -171.94 -108.89 140.86 84.20 10.27 5.53 75.40 5.45 2.72 4.94 1.20 0.00 6.36 3.93 65 E C C 133.40 3.30 15.77 20.26 111.23 -138.58 -91.62 133.30 73.77 5.60 20.64 52.44 10.74 9.06 19.73 2.78 0.02 3.65 1.57 66 G C H 40.45 4.60 15.76 21.37 122.28 40.55 105.24 -169.22 61.08 1.56 37.35 26.94 19.22 15.02 34.05 3.41 0.04 0.69 0.63 67 D H H 85.66 4.31 17.10 21.94 103.71 -28.63 -78.96 60.50 47.49 0.94 51.57 33.64 5.58 7.72 49.71 2.56 0.00 0.43 0.37 68 L H H 37.56 16.74 12.63 29.15 94.35 67.96 -65.97 -36.12 13.81 0.25 85.95 9.63 1.79 3.02 83.94 1.42 0.00 0.12 0.07 69 R H H 111.51 10.06 16.97 27.52 91.88 55.40 -62.66 -40.94 3.10 0.05 96.85 1.74 0.42 1.02 96.10 0.67 0.00 0.03 0.01 70 R H H 142.57 2.18 20.45 21.93 92.08 49.84 -65.71 -40.22 1.47 0.03 98.51 0.69 0.19 0.60 98.03 0.47 0.00 0.01 0.00 71 E H H 79.36 7.50 19.80 28.04 92.25 49.80 -65.40 -41.10 1.08 0.02 98.90 0.43 0.12 0.50 98.60 0.33 0.00 0.01 0.00 72 V H H 16.26 18.84 16.40 35.31 91.92 49.43 -64.28 -42.90 1.19 0.01 98.80 0.42 0.13 0.58 98.60 0.26 0.00 0.01 0.00 73 S H H 42.33 8.70 20.34 29.72 91.63 51.22 -63.17 -41.68 1.59 0.01 98.40 0.45 0.14 0.84 98.35 0.22 0.00 0.00 0.00 74 M H H 89.92 2.95 23.14 25.21 91.71 50.14 -64.54 -41.23 1.41 0.00 98.59 0.31 0.12 0.83 98.54 0.19 0.00 0.00 0.00 75 N H H 33.10 13.90 20.15 34.33 91.96 50.44 -65.07 -41.12 1.32 0.00 98.67 0.26 0.10 0.79 98.68 0.16 0.00 0.00 0.00 76 I H H 19.19 20.02 17.94 37.66 91.78 50.78 -63.83 -41.79 0.52 0.00 99.48 0.08 0.03 0.30 99.49 0.09 0.00 0.00 0.00 77 K H H 115.36 3.88 23.41 27.30 91.60 51.25 -63.34 -41.43 0.36 0.00 99.63 0.05 0.02 0.21 99.62 0.09 0.00 0.00 0.00 78 R H H 107.19 5.05 22.40 27.64 91.83 49.75 -64.59 -41.29 0.52 0.00 99.47 0.05 0.03 0.36 99.42 0.13 0.00 0.00 0.00 79 L H H 12.45 19.03 15.40 34.90 91.90 50.33 -64.36 -42.13 0.60 0.00 99.40 0.07 0.04 0.39 99.23 0.27 0.00 0.00 0.00 80 V H H 55.29 12.19 16.77 29.23 91.93 50.13 -64.16 -41.43 0.98 0.00 99.02 0.10 0.05 0.70 98.54 0.61 0.00 0.00 0.00 81 D H H 112.49 1.61 20.03 21.02 90.97 52.99 -65.74 -28.70 5.57 0.01 94.42 0.14 0.17 5.21 93.90 0.56 0.00 0.00 0.00 82 L C T 70.63 9.60 15.64 26.33 93.08 53.62 -85.36 -4.86 56.65 0.03 43.32 0.41 1.25 54.68 42.71 0.90 0.01 0.01 0.03 83 G C T 42.14 5.62 20.79 27.05 97.50 -106.09 84.75 13.04 99.30 0.02 0.68 5.55 2.28 91.59 0.47 0.09 0.00 0.01 0.01 84 C C C 20.14 18.03 13.72 32.05 115.99 149.05 -81.09 141.11 95.62 1.20 3.17 90.51 4.08 0.80 2.61 0.42 0.00 0.26 1.32 85 Y H H 101.64 10.36 21.77 32.62 93.81 -139.49 -66.71 -33.42 24.53 0.28 75.19 4.49 5.89 15.36 69.73 4.11 0.13 0.10 0.19 86 R H H 89.49 12.10 22.06 33.68 92.77 56.28 -65.86 -40.40 15.83 0.16 84.01 1.74 2.18 12.07 79.29 4.45 0.10 0.07 0.09 87 G H H 7.00 14.64 18.01 33.95 92.34 52.27 -63.29 -42.06 11.06 0.18 88.76 3.30 1.56 6.13 83.37 5.46 0.02 0.10 0.06 88 I H H 38.73 10.44 20.14 31.79 91.96 50.07 -64.46 -42.26 5.26 0.15 94.59 1.68 0.93 2.86 90.69 3.67 0.03 0.08 0.05 89 R H H 60.16 10.14 18.07 29.47 92.36 50.13 -64.48 -42.20 4.80 0.14 95.06 1.26 0.68 2.95 90.53 4.41 0.03 0.09 0.04 90 H H H 66.14 11.54 16.23 28.40 92.55 49.16 -65.68 -41.00 5.10 0.09 94.81 0.93 0.49 3.50 89.27 5.70 0.02 0.06 0.02 91 R H H 119.07 8.40 16.92 26.14 91.75 50.70 -66.93 -32.39 12.09 0.09 87.82 0.91 0.92 10.13 83.34 4.54 0.07 0.04 0.04 92 R C T 120.18 5.73 15.83 22.80 95.01 47.09 -93.43 5.24 74.94 0.11 24.95 1.11 2.84 70.49 22.72 2.67 0.01 0.04 0.12 93 N C T 123.86 2.59 16.98 20.59 93.89 -114.43 62.68 32.78 99.21 0.02 0.77 3.05 2.37 94.00 0.43 0.13 0.00 0.01 0.01 94 L C C 49.69 11.86 11.14 24.34 116.50 151.67 -91.66 134.68 99.52 0.37 0.11 91.28 8.04 0.19 0.06 0.03 0.00 0.11 0.30 95 P C C 70.09 5.50 17.75 24.20 113.15 -106.57 -66.16 146.93 98.51 0.99 0.50 93.50 4.12 0.88 0.15 0.26 0.00 0.36 0.73 96 V C C 56.03 14.87 11.45 25.88 115.52 -137.23 -93.04 138.09 85.91 11.68 2.41 70.19 10.50 2.64 1.00 1.31 0.00 2.76 11.60 97 R C T 153.13 4.73 14.48 20.69 108.52 -80.03 -71.67 122.40 89.79 3.82 6.39 15.22 20.80 53.85 1.91 4.10 0.02 1.99 2.11 98 G C T 55.91 2.62 14.54 17.86 99.15 13.02 84.18 -1.10 91.97 1.32 6.71 14.10 23.33 54.84 1.86 4.45 0.00 0.65 0.76 99 Q C C 87.37 8.81 10.57 20.48 111.13 120.23 -86.98 129.39 87.44 2.51 10.04 46.56 27.79 13.11 4.91 4.64 0.01 0.90 2.09 100 N C C 104.17 4.52 13.67 19.57 106.68 -141.20 -86.28 74.06 83.67 2.76 13.58 54.32 16.99 12.22 8.94 4.52 0.00 1.09 1.93 101 T C C 65.64 8.30 11.96 21.45 111.74 117.01 -93.24 132.95 63.63 2.37 34.00 35.75 16.18 12.60 25.37 7.74 0.03 1.03 1.31 102 K C H 132.17 4.55 14.27 20.13 97.62 -105.67 -71.82 -27.20 53.00 1.54 45.46 24.67 14.27 15.51 35.35 8.66 0.05 0.72 0.77 103 N H H 82.95 5.07 14.75 20.92 96.79 57.34 -73.11 -35.17 48.92 1.26 49.82 24.19 11.87 14.40 39.09 9.19 0.04 0.57 0.66 104 N H H 68.40 7.64 13.86 22.82 95.42 56.56 -71.85 -29.80 44.77 1.24 53.99 23.72 10.14 12.67 42.93 9.30 0.04 0.58 0.62 105 A H H 44.17 10.24 11.99 23.24 94.96 61.34 -69.58 -28.81 44.28 1.55 54.17 23.87 9.35 12.75 41.91 10.59 0.05 0.78 0.70 106 R C H 148.99 3.69 14.44 19.35 95.61 62.27 -74.52 -19.81 50.05 2.28 47.67 27.38 11.56 12.87 37.20 8.80 0.05 1.15 0.99 107 T C C 91.51 3.40 13.63 18.05 99.45 49.34 -88.50 -3.56 60.30 3.23 36.47 35.34 13.23 12.81 28.71 6.80 0.04 1.52 1.55 108 R C C 117.67 8.60 9.36 19.00 113.49 101.17 -85.98 131.09 80.47 2.39 17.14 53.14 17.23 9.74 13.93 3.53 0.01 1.05 1.36 109 K C C 159.12 1.74 12.31 15.06 108.74 -154.37 -93.43 91.10 89.80 2.65 7.56 60.96 20.12 8.40 5.55 2.06 0.00 1.09 1.81 110 G C C 38.16 5.22 10.42 17.32 129.23 -123.70 111.79 177.00 97.42 1.77 0.81 59.75 35.23 2.56 0.33 0.43 0.00 0.78 0.91 111 P C C 99.03 3.11 11.62 16.31 111.74 -61.05 -69.71 146.74 96.86 1.41 1.73 70.02 18.53 8.23 0.40 1.39 0.00 0.77 0.66 112 T C C 102.59 3.40 9.19 14.62 111.43 -140.52 -91.06 126.04 95.62 2.60 1.78 68.71 20.98 5.72 0.50 1.28 0.00 1.24 1.55 113 R C C 164.04 2.35 9.49 13.67 117.20 -132.99 -97.03 134.46 96.86 2.11 1.03 65.80 29.47 1.79 0.36 0.61 0.00 1.08 0.89 114 P C C 101.69 2.90 8.80 13.75 113.08 -112.01 -67.79 146.20 92.96 2.91 4.12 71.15 13.14 8.49 0.99 3.25 0.00 1.77 1.20 115 L C C 121.83 3.33 6.95 12.31 112.93 -119.34 -84.94 132.45 90.62 4.71 4.67 64.52 16.25 9.51 1.16 3.63 0.00 2.69 2.24 116 K C C 160.79 1.42 8.29 11.23 115.20 -145.80 -94.99 134.08 94.02 3.05 2.93 86.63 3.30 4.83 0.70 1.62 0.00 1.84 1.10 117 R C C 176.92 2.37 9.65 13.87 111.15 -126.93 -83.14 126.72 99.87 0.10 0.03 99.42 0.32 0.17 0.01 0.01 0.00 0.04 0.02