# 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 A C C 15.64 20.91 17.61 37.83 116.77 -160.40 -95.09 137.13 99.63 0.36 0.01 99.55 0.16 0.03 0.00 0.00 0.00 0.24 0.02 1 R E E 110.49 8.44 22.35 31.19 124.77 -156.44 -118.33 136.56 27.65 72.10 0.25 25.79 1.02 0.19 0.17 0.11 0.00 55.36 17.36 2 I E E 20.97 21.26 14.01 34.82 116.92 -158.09 -113.42 122.36 10.85 88.64 0.51 6.05 2.61 0.85 0.40 0.27 0.00 63.96 25.85 3 A C T 44.88 12.74 16.10 29.56 94.23 -15.37 55.70 39.46 98.64 0.71 0.65 0.49 2.46 96.03 0.04 0.42 0.00 0.41 0.14 4 G C T 57.70 2.63 18.23 21.13 95.08 -51.14 81.76 2.58 99.52 0.14 0.34 0.48 2.91 96.22 0.01 0.27 0.00 0.09 0.02 5 V E E 42.90 14.11 11.97 26.82 122.19 110.97 -107.42 137.30 13.39 86.42 0.19 7.07 5.75 0.83 0.10 0.13 0.00 57.44 28.68 6 D C C 100.36 3.48 20.90 24.96 108.83 -127.46 -84.02 115.15 54.71 45.25 0.05 48.91 4.06 0.48 0.01 0.04 0.00 43.35 3.14 7 I C C 13.52 23.22 10.30 33.01 117.04 -162.77 -101.80 128.26 95.91 4.07 0.02 94.59 1.78 0.05 0.01 0.01 0.00 3.09 0.46 8 P C C 57.64 5.27 21.24 27.09 111.17 -114.57 -66.26 140.37 98.29 1.27 0.43 96.99 0.95 0.56 0.07 0.28 0.00 0.81 0.35 9 R C T 111.07 14.24 13.38 27.08 93.22 -129.86 -64.63 -24.95 97.21 0.61 2.18 2.66 14.15 80.48 0.27 1.81 0.00 0.34 0.29 10 D C T 108.28 3.09 19.19 22.55 95.81 58.06 -88.11 1.98 96.03 1.55 2.42 6.66 8.75 80.66 0.34 2.10 0.00 1.28 0.21 11 K C C 67.92 13.64 15.57 29.60 116.01 115.36 -79.31 138.84 90.74 8.23 1.04 74.91 15.41 0.76 0.46 0.56 0.00 6.46 1.43 12 R E B 102.01 11.47 22.86 34.02 114.93 -127.34 -85.93 131.83 16.20 83.14 0.66 15.34 0.58 0.11 0.68 0.11 0.00 27.57 55.60 13 V C C 4.83 25.87 18.48 44.30 107.89 -160.89 -95.84 75.79 43.68 37.59 18.74 37.96 3.26 2.08 15.58 3.39 0.00 31.72 6.01 14 V H H 23.90 19.65 23.62 41.68 95.28 73.55 -67.79 -29.75 19.12 7.57 73.32 12.66 2.89 4.55 52.31 19.76 0.03 7.28 0.53 15 I H H 43.65 14.32 25.46 39.43 93.28 57.91 -64.42 -37.90 4.54 0.69 94.77 1.40 0.78 2.54 55.39 39.00 0.01 0.84 0.04 16 S H H 10.68 20.22 23.26 42.87 92.11 57.50 -66.17 -35.06 2.46 0.14 97.40 0.57 0.31 1.47 54.17 43.31 0.00 0.16 0.01 17 L H H 3.34 25.92 19.84 45.93 91.55 59.41 -70.36 -27.10 2.31 0.04 97.64 0.28 0.21 1.65 50.01 47.79 0.00 0.04 0.00 18 T H G 38.86 16.79 22.07 38.18 91.36 65.79 -69.87 -18.81 17.50 0.17 82.32 0.96 1.10 14.48 37.01 46.21 0.06 0.11 0.07 19 Y H T 92.16 12.37 23.54 35.98 94.00 59.84 -85.58 -8.37 47.66 0.54 51.81 2.24 4.29 40.19 15.95 36.54 0.11 0.30 0.38 20 I C S 12.13 23.22 16.56 39.96 117.57 94.72 -89.77 134.27 87.97 9.73 2.30 10.44 73.90 2.22 1.64 0.35 0.03 2.07 9.36 21 F C T 86.85 12.81 22.86 35.16 108.23 -96.00 -66.16 125.78 97.68 0.81 1.51 0.71 8.91 88.58 0.40 0.62 0.00 0.34 0.43 22 G C T 35.46 9.20 22.61 32.32 95.59 15.39 85.37 -2.54 99.45 0.12 0.43 1.27 10.21 88.08 0.10 0.23 0.00 0.07 0.04 23 I C C 10.21 23.89 13.01 36.96 117.73 111.63 -103.43 127.54 92.29 7.23 0.48 69.18 19.47 1.14 0.30 0.18 0.00 1.48 8.25 24 G C C 27.46 6.54 23.85 30.32 127.17 -159.71 -92.92 169.10 99.35 0.38 0.27 97.53 1.72 0.16 0.21 0.03 0.00 0.10 0.25 25 R H H 123.31 12.21 16.38 28.52 91.92 -97.25 -60.15 -38.05 2.78 0.01 97.22 0.40 0.42 1.55 97.41 0.22 0.00 0.00 0.00 26 T H H 89.03 2.19 23.48 24.59 91.97 52.06 -64.23 -40.99 2.19 0.00 97.80 0.33 0.21 1.41 97.76 0.29 0.00 0.00 0.00 27 T H H 29.41 13.09 20.41 33.96 92.06 48.74 -65.94 -41.17 0.61 0.00 99.39 0.16 0.05 0.30 99.30 0.19 0.00 0.00 0.00 28 A H H 2.07 25.66 15.75 41.95 90.96 51.23 -62.63 -43.31 0.10 0.00 99.90 0.02 0.00 0.04 99.91 0.02 0.00 0.00 0.00 29 Q H H 77.19 10.07 23.45 33.42 91.27 51.07 -63.13 -41.55 0.05 0.00 99.95 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 30 Q H H 86.84 3.83 25.91 29.37 91.63 50.51 -64.09 -42.41 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 31 V H H 5.50 21.60 19.83 41.69 91.43 49.33 -64.04 -44.02 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 32 L H H 7.85 23.08 17.45 40.44 91.33 50.11 -62.89 -42.98 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 K H H 136.09 3.01 21.97 25.37 91.24 49.97 -62.59 -41.02 0.15 0.00 99.85 0.01 0.00 0.11 99.82 0.06 0.00 0.00 0.00 34 E H H 111.70 5.50 20.30 26.65 91.02 51.53 -65.56 -32.59 1.63 0.00 98.37 0.02 0.02 1.68 98.16 0.11 0.00 0.00 0.00 35 A C T 14.98 19.31 13.80 33.29 92.95 48.77 -86.81 -4.22 61.78 0.00 38.21 0.12 0.44 61.95 37.08 0.40 0.00 0.00 0.01 36 G C T 54.99 1.99 22.85 24.44 94.17 -111.36 74.91 21.71 99.90 0.00 0.10 0.61 0.45 98.90 0.03 0.01 0.00 0.00 0.00 37 V C C 12.68 22.96 10.25 32.61 123.64 136.82 -107.52 143.71 99.46 0.49 0.05 96.89 2.43 0.07 0.02 0.02 0.00 0.10 0.48 38 S C C 55.24 3.90 24.13 27.36 122.38 -128.88 -86.83 157.45 99.53 0.36 0.11 98.94 0.53 0.16 0.02 0.04 0.00 0.10 0.22 39 E C T 85.60 16.48 13.85 29.64 91.24 -115.09 -64.22 -22.85 99.58 0.14 0.28 1.02 5.20 93.42 0.03 0.21 0.00 0.07 0.05 40 D C T 109.71 2.23 20.89 23.22 93.61 57.90 -90.53 0.09 99.73 0.10 0.17 1.67 4.21 93.85 0.01 0.17 0.00 0.06 0.02 41 T C C 23.00 15.49 14.03 30.83 117.39 119.28 -70.55 143.33 99.11 0.86 0.03 73.91 25.21 0.13 0.01 0.03 0.00 0.36 0.35 42 R E B 83.96 7.98 24.30 32.66 118.94 -123.39 -83.87 148.26 22.45 77.51 0.04 19.61 0.24 0.01 0.03 0.00 0.00 4.39 75.72 43 V H G 6.61 25.44 13.64 39.82 90.90 -118.63 -58.72 -36.75 9.11 0.09 90.80 0.54 0.76 6.18 0.43 92.02 0.00 0.06 0.00 44 R H G 123.21 9.28 20.44 30.28 90.03 63.90 -66.93 -20.78 8.65 0.03 91.32 0.13 0.45 6.75 0.28 92.37 0.00 0.02 0.00 45 D H G 91.55 4.12 21.76 26.37 94.73 55.05 -93.09 -1.47 8.91 0.04 91.05 0.48 0.86 5.58 0.31 92.75 0.00 0.02 0.01 46 L C C 11.89 24.04 8.09 30.79 117.07 109.39 -75.14 139.36 99.30 0.46 0.24 70.76 28.22 0.18 0.09 0.11 0.00 0.08 0.57 47 T C C 66.68 2.98 20.82 23.09 123.66 -136.13 -86.24 166.17 99.54 0.32 0.14 98.90 0.62 0.03 0.11 0.01 0.00 0.06 0.28 48 E H H 136.01 4.03 14.29 20.41 90.90 -99.76 -58.24 -38.54 1.06 0.00 98.94 0.15 0.17 0.62 98.70 0.37 0.00 0.00 0.00 49 E H H 136.36 1.22 18.74 18.57 91.35 52.54 -64.32 -39.85 0.45 0.00 99.55 0.05 0.03 0.30 99.17 0.45 0.00 0.00 0.00 50 E H H 40.40 14.36 15.97 30.84 92.04 48.49 -66.27 -40.12 0.22 0.00 99.78 0.03 0.01 0.14 99.27 0.54 0.00 0.00 0.00 51 L H H 18.42 19.21 15.09 34.34 91.35 52.10 -62.55 -42.53 0.12 0.00 99.88 0.01 0.00 0.07 99.80 0.12 0.00 0.00 0.00 52 G H H 33.14 3.26 22.38 25.32 91.13 51.39 -62.75 -41.63 0.55 0.00 99.45 0.04 0.02 0.43 99.41 0.10 0.00 0.00 0.00 53 K H H 93.41 5.42 22.33 27.99 91.60 50.38 -64.92 -40.95 0.93 0.00 99.07 0.05 0.03 0.77 99.05 0.11 0.00 0.00 0.00 54 I H H 4.13 24.60 15.99 40.92 91.72 50.26 -63.82 -42.93 0.34 0.00 99.66 0.05 0.02 0.21 99.64 0.08 0.00 0.00 0.00 55 R H H 93.14 12.69 20.37 32.62 91.30 52.69 -61.75 -41.34 0.15 0.00 99.85 0.02 0.01 0.08 99.83 0.06 0.00 0.00 0.00 56 D H H 85.46 1.80 23.27 22.93 91.67 50.28 -64.28 -41.22 0.24 0.00 99.76 0.02 0.01 0.15 99.71 0.11 0.00 0.00 0.00 57 I H H 30.50 12.19 18.08 31.56 91.95 49.40 -64.86 -41.97 0.43 0.00 99.57 0.04 0.02 0.30 99.43 0.21 0.00 0.00 0.00 58 I H H 12.40 22.30 12.92 34.85 92.02 51.20 -65.53 -38.94 1.82 0.00 98.18 0.16 0.11 1.36 97.69 0.67 0.00 0.00 0.00 59 D H H 98.86 4.07 17.37 22.75 91.13 55.04 -68.27 -24.69 21.35 0.02 78.63 0.78 0.76 19.34 77.93 1.16 0.01 0.00 0.01 60 K H H 151.21 1.45 18.02 18.58 94.38 50.82 -85.13 -13.22 48.59 0.07 51.34 2.75 3.16 40.47 51.88 1.65 0.01 0.02 0.05 61 L C C 41.67 17.56 9.53 26.12 116.86 89.87 -91.43 135.15 86.61 1.51 11.88 55.34 21.71 8.62 11.08 1.85 0.00 0.69 0.70 62 K C C 149.93 2.38 19.42 22.34 111.81 -141.35 -93.46 119.22 87.29 9.35 3.36 82.76 2.39 2.36 2.34 0.86 0.00 6.75 2.53 63 V C C 37.98 19.00 9.58 27.31 120.45 -172.33 -110.43 132.95 76.68 19.76 3.57 70.95 3.58 1.60 3.14 0.88 0.00 13.16 6.69 64 E C C 126.18 3.44 17.20 21.65 116.88 -155.72 -101.00 139.48 77.10 12.20 10.70 63.24 7.22 5.31 9.99 1.97 0.01 10.00 2.26 65 G C C 38.12 5.44 16.29 22.73 126.70 45.04 114.63 -170.79 65.98 3.24 30.78 31.11 20.62 14.16 27.65 3.69 0.06 1.78 0.92 66 D C H 83.33 4.74 17.94 23.13 106.54 -47.49 -81.46 100.92 52.74 1.04 46.22 36.71 6.40 8.75 44.37 2.87 0.00 0.50 0.39 67 L H H 37.82 17.96 12.85 30.25 94.56 -156.36 -65.15 -34.77 13.69 0.20 86.11 8.46 2.00 3.85 83.54 1.99 0.01 0.10 0.07 68 R H H 117.52 9.30 17.47 27.37 91.83 56.52 -62.74 -40.69 4.07 0.06 95.87 2.12 0.58 1.49 94.65 1.10 0.00 0.03 0.02 69 R H H 142.04 2.34 20.51 22.33 92.24 49.89 -65.87 -40.21 2.38 0.05 97.57 1.15 0.34 0.98 96.69 0.80 0.00 0.03 0.01 70 E H H 73.64 8.96 19.37 29.02 92.34 50.23 -65.69 -41.06 1.77 0.03 98.20 0.77 0.23 0.78 97.71 0.47 0.00 0.01 0.01 71 V H H 18.12 18.64 16.70 35.32 91.88 49.71 -64.05 -42.81 1.81 0.03 98.16 0.75 0.22 0.82 97.86 0.33 0.00 0.01 0.01 72 S H H 43.81 7.80 20.79 29.29 91.73 51.18 -63.49 -41.82 1.77 0.01 98.22 0.62 0.16 0.84 98.14 0.23 0.00 0.00 0.00 73 L H H 75.60 3.56 22.91 26.11 91.82 50.26 -64.26 -41.32 0.97 0.00 99.03 0.24 0.08 0.54 98.99 0.15 0.00 0.00 0.00 74 N H H 31.88 14.85 20.01 34.92 91.98 50.47 -64.92 -41.14 0.90 0.00 99.10 0.16 0.05 0.56 99.11 0.12 0.00 0.00 0.00 75 I H H 22.85 19.01 18.45 37.13 91.86 50.73 -63.79 -42.02 0.42 0.00 99.58 0.06 0.02 0.25 99.60 0.06 0.00 0.00 0.00 76 K H H 117.37 3.51 23.73 27.13 91.59 50.94 -63.63 -41.39 0.27 0.00 99.73 0.04 0.02 0.15 99.74 0.05 0.00 0.00 0.00 77 R H H 101.99 5.83 22.20 28.39 91.78 49.45 -65.10 -41.06 0.43 0.00 99.57 0.04 0.02 0.29 99.56 0.09 0.00 0.00 0.00 78 L H H 12.53 19.57 15.15 35.02 91.85 50.99 -64.03 -41.67 0.43 0.00 99.57 0.05 0.03 0.26 99.48 0.17 0.00 0.00 0.00 79 I H H 67.59 11.66 17.19 29.10 92.29 50.15 -64.75 -41.04 0.76 0.00 99.23 0.10 0.04 0.50 98.99 0.36 0.00 0.00 0.00 80 E H H 138.97 1.72 20.22 21.33 91.93 51.49 -66.14 -33.19 3.59 0.01 96.41 0.14 0.16 3.11 96.26 0.32 0.00 0.00 0.00 81 I H H 72.86 9.26 16.18 26.37 94.81 47.37 -87.01 -9.85 31.94 0.04 68.02 0.54 1.50 29.05 68.34 0.50 0.02 0.01 0.03 82 G C T 37.09 8.22 19.15 28.01 99.19 -107.97 82.93 13.74 98.36 0.10 1.53 19.02 7.29 72.06 1.32 0.21 0.00 0.04 0.05 83 S C C 21.01 15.12 15.93 31.71 121.87 156.72 -80.09 156.05 94.57 1.44 4.00 79.69 13.17 1.01 3.89 0.44 0.00 0.32 1.48 84 Y H H 92.41 12.43 21.15 33.71 92.77 -110.69 -63.03 -36.23 13.19 0.09 86.72 1.97 3.28 8.45 84.52 1.64 0.05 0.03 0.06 85 R H H 88.70 12.31 21.63 33.50 92.18 56.57 -64.86 -40.97 6.77 0.03 93.20 0.72 0.77 5.15 91.71 1.60 0.02 0.01 0.01 86 G H H 7.76 13.19 18.00 32.91 91.84 51.82 -63.71 -42.55 4.33 0.04 95.63 1.16 0.55 2.51 93.48 2.25 0.01 0.02 0.01 87 I H H 40.53 9.51 19.93 30.83 91.89 49.73 -64.31 -42.61 2.30 0.03 97.67 0.62 0.33 1.26 96.61 1.14 0.01 0.02 0.01 88 R H H 59.94 10.16 17.52 28.97 92.33 49.94 -64.56 -42.21 2.26 0.05 97.70 0.56 0.30 1.36 96.45 1.28 0.01 0.02 0.01 89 H H H 71.16 11.18 15.44 27.28 92.40 49.53 -65.10 -40.96 2.39 0.02 97.58 0.36 0.19 1.69 95.21 2.53 0.01 0.01 0.00 90 R H H 131.90 6.79 16.31 24.33 91.53 51.54 -66.40 -30.81 8.41 0.03 91.56 0.39 0.43 7.51 89.16 2.45 0.02 0.01 0.01 91 R C T 132.51 4.71 15.36 21.18 93.90 49.29 -90.23 0.99 63.17 0.04 36.80 0.50 1.39 61.92 34.05 2.10 0.01 0.01 0.04 92 G C T 56.62 2.07 16.72 19.16 95.07 -106.02 81.75 12.87 99.75 0.01 0.24 1.87 1.44 96.54 0.11 0.03 0.00 0.00 0.00 93 L C C 55.09 10.76 11.03 23.34 117.19 142.41 -88.52 137.83 99.78 0.19 0.03 93.22 6.51 0.07 0.01 0.01 0.00 0.05 0.12 94 P C C 74.70 5.00 18.47 24.15 112.43 -105.17 -65.99 144.53 99.11 0.69 0.21 95.87 2.83 0.43 0.06 0.10 0.00 0.23 0.49 95 V C C 48.08 16.74 11.26 27.19 115.54 -152.48 -102.92 133.47 83.39 15.12 1.50 72.47 7.41 1.57 0.67 0.72 0.00 2.93 14.23 96 R C T 146.43 5.42 15.85 22.38 109.22 -60.24 -76.48 123.39 88.10 4.68 7.21 21.49 26.56 40.60 2.37 4.24 0.02 2.29 2.44 97 G C T 49.49 4.82 14.40 20.29 99.84 5.80 80.56 -1.50 88.87 1.72 9.42 15.91 27.42 46.10 3.08 5.65 0.01 0.80 1.01 98 Q C C 99.93 7.05 13.00 21.21 103.02 105.85 -86.36 -1.78 80.86 2.21 16.93 32.00 27.31 22.33 8.07 7.79 0.02 0.86 1.63 99 N C C 97.13 5.28 14.12 20.63 105.40 52.06 -90.75 55.90 79.89 2.63 17.48 43.62 17.46 19.22 10.72 6.20 0.01 1.10 1.67 100 S C C 48.34 9.79 11.55 22.26 106.64 146.69 -79.54 55.38 61.45 2.64 35.92 36.20 15.06 11.17 27.45 7.47 0.03 1.18 1.45 101 K C H 138.04 3.56 15.15 19.76 96.43 28.26 -71.44 -29.08 49.82 1.48 48.70 21.45 13.43 16.42 39.03 8.16 0.06 0.76 0.68 102 N H H 89.28 5.03 14.78 20.84 98.58 53.64 -81.38 -14.89 49.25 1.10 49.65 23.22 11.60 15.94 39.85 8.26 0.05 0.50 0.59 103 N H H 64.04 9.61 12.92 23.51 97.80 69.57 -78.47 -17.33 44.40 1.08 54.53 24.71 9.46 11.85 44.08 8.83 0.03 0.49 0.56 104 A H H 51.23 8.72 12.93 22.73 96.22 64.64 -70.63 -24.68 42.86 1.11 56.02 22.96 8.72 12.58 44.33 10.32 0.03 0.54 0.53 105 R H H 148.17 4.02 14.25 19.53 97.00 67.53 -80.07 -13.72 47.76 1.71 50.53 26.75 9.91 12.53 39.29 9.86 0.03 0.84 0.79 106 T C C 84.01 5.26 12.55 19.09 102.88 59.24 -90.26 7.46 56.46 2.46 41.08 32.88 11.85 13.00 31.56 8.30 0.03 1.18 1.20 107 R C C 135.68 6.77 9.92 18.02 110.03 95.50 -84.28 125.80 73.27 2.21 24.51 43.02 17.02 13.25 19.29 5.21 0.01 0.96 1.24 108 K C C 155.69 2.11 11.07 14.68 107.84 -140.67 -88.77 95.24 87.20 2.48 10.32 57.11 18.33 11.58 7.47 2.75 0.00 0.99 1.77 109 G C C 42.20 4.31 10.62 16.63 126.55 -26.83 116.81 174.98 99.32 0.54 0.14 88.88 9.90 0.61 0.08 0.04 0.00 0.24 0.25 110 P C C 104.65 2.74 14.08 17.85 107.24 -47.30 -69.60 134.01 99.87 0.06 0.06 99.42 0.35 0.15 0.03 0.01 0.00 0.03 0.02