# 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 38.97 8.01 14.57 23.45 120.31 155.31 -80.42 162.35 99.79 0.17 0.05 99.60 0.16 0.10 0.02 0.00 0.00 0.08 0.02 1 G C C 42.99 6.13 13.01 20.28 116.17 118.89 96.25 -164.78 83.70 5.12 11.18 77.80 2.02 5.19 5.45 4.30 0.00 2.89 2.35 2 L C C 101.72 5.62 11.94 18.78 102.34 -5.99 -79.45 -7.54 60.53 9.20 30.26 36.16 10.86 14.92 9.57 19.68 0.06 5.75 3.00 3 L C C 90.92 7.88 10.80 19.63 101.56 70.35 -79.98 -15.33 53.06 8.73 38.21 28.04 11.50 15.91 10.08 26.38 0.08 5.65 2.36 4 W C C 148.70 5.97 11.15 18.49 105.28 61.37 -86.32 21.66 57.57 6.97 35.46 32.47 12.03 14.51 10.10 24.39 0.08 4.15 2.28 5 K C C 128.52 4.75 11.63 17.80 105.52 69.82 -87.29 33.23 73.48 4.62 21.90 38.29 20.89 15.17 8.45 12.66 0.07 2.34 2.12 6 I C C 95.38 5.50 11.34 18.55 114.93 57.19 -101.03 122.82 92.39 2.76 4.85 51.82 37.92 2.81 3.12 1.54 0.00 1.00 1.77 7 P C C 74.84 7.42 10.87 19.67 107.43 -127.72 -69.34 137.85 72.24 1.56 26.20 45.52 8.44 16.58 4.37 23.59 0.00 0.86 0.65 8 W C T 168.34 4.73 11.95 18.05 101.64 56.09 -79.94 2.74 68.70 1.58 29.73 24.82 15.32 28.70 3.99 25.64 0.00 0.79 0.74 9 R C C 150.17 3.77 13.53 18.75 108.03 66.94 -92.79 62.23 66.67 4.27 29.06 33.54 14.45 19.59 4.63 23.75 0.01 2.17 1.87 10 M C C 55.58 14.90 8.21 22.49 117.69 94.26 -85.85 142.24 91.71 3.49 4.80 66.90 22.43 2.13 2.47 2.21 0.00 1.14 2.72 11 S C C 54.85 3.49 14.60 19.12 117.24 -109.22 -70.97 158.98 97.58 0.80 1.63 94.73 2.50 0.41 1.47 0.16 0.00 0.25 0.47 12 T H H 104.16 2.34 12.68 16.33 91.92 -105.66 -59.09 -36.68 4.70 0.03 95.28 1.25 0.87 2.38 94.88 0.59 0.00 0.01 0.01 13 H H H 124.89 1.65 15.17 16.45 92.41 52.50 -65.32 -39.62 3.33 0.02 96.65 0.75 0.44 2.03 96.07 0.69 0.00 0.01 0.01 14 Q H H 57.23 8.89 13.85 24.33 92.39 49.53 -65.96 -40.68 1.40 0.01 98.58 0.45 0.18 0.70 98.09 0.58 0.00 0.01 0.00 15 K H H 63.01 11.38 14.19 26.42 92.11 51.43 -64.01 -40.99 0.79 0.01 99.20 0.25 0.09 0.37 99.05 0.23 0.00 0.00 0.00 16 T H H 70.45 2.72 18.95 21.33 91.62 50.52 -64.14 -41.37 0.64 0.00 99.35 0.16 0.06 0.32 99.34 0.11 0.00 0.00 0.00 17 R H H 116.84 3.54 19.50 23.16 92.09 49.67 -65.16 -40.84 0.57 0.00 99.42 0.12 0.05 0.32 99.44 0.08 0.00 0.00 0.00 18 Q H H 36.76 14.75 16.32 31.47 91.96 50.49 -64.82 -41.77 0.53 0.00 99.47 0.11 0.04 0.29 99.49 0.07 0.00 0.00 0.00 19 R H H 98.20 8.89 19.34 28.60 91.85 51.66 -63.57 -41.02 0.49 0.00 99.51 0.09 0.03 0.27 99.55 0.05 0.00 0.00 0.00 20 E H H 103.46 2.64 22.41 24.07 91.70 50.07 -64.40 -40.96 0.59 0.00 99.41 0.11 0.04 0.33 99.45 0.07 0.00 0.00 0.00 21 R H H 73.27 11.04 19.75 31.30 91.98 50.21 -64.73 -41.22 0.86 0.00 99.14 0.13 0.05 0.53 99.20 0.09 0.00 0.00 0.00 22 L H H 31.64 17.44 17.89 35.16 92.12 51.16 -64.97 -40.05 1.22 0.00 98.77 0.21 0.09 0.75 98.82 0.13 0.00 0.00 0.00 23 R H H 121.03 5.12 22.97 28.13 91.46 51.90 -63.33 -41.47 0.72 0.00 99.28 0.14 0.06 0.39 99.35 0.06 0.00 0.00 0.00 24 N H H 73.00 5.74 23.52 29.36 91.80 49.99 -65.21 -40.55 0.84 0.00 99.16 0.19 0.07 0.45 99.22 0.06 0.00 0.00 0.00 25 V H H 13.99 18.97 19.15 38.23 91.60 50.28 -63.89 -43.03 0.38 0.00 99.62 0.07 0.03 0.21 99.66 0.03 0.00 0.00 0.00 26 D H H 39.89 13.30 21.29 34.68 91.60 51.42 -63.30 -41.48 0.21 0.00 99.79 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 27 Q H H 95.41 3.34 25.11 27.94 91.64 50.40 -64.62 -41.48 0.15 0.00 99.85 0.02 0.01 0.08 99.88 0.01 0.00 0.00 0.00 28 V H H 27.88 13.88 21.75 36.00 91.87 49.54 -64.19 -43.12 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 29 I H H 17.03 20.82 19.73 40.18 91.55 50.12 -63.34 -42.82 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 30 K H H 100.53 7.15 24.06 31.56 91.23 51.09 -63.37 -41.48 0.13 0.00 99.87 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 31 Q H H 79.54 6.81 24.49 31.42 91.56 49.66 -64.92 -41.65 0.17 0.00 99.83 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 32 L H H 23.08 18.29 21.19 39.05 91.94 49.13 -65.02 -42.74 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 33 T H H 33.80 15.49 22.32 37.24 91.65 49.58 -63.62 -42.31 0.63 0.00 99.37 0.08 0.04 0.41 99.38 0.08 0.00 0.00 0.00 34 L H H 74.93 5.95 25.00 31.25 91.64 50.04 -64.71 -41.02 2.21 0.01 97.78 0.26 0.16 1.59 97.68 0.30 0.00 0.00 0.00 35 G H H 16.31 9.82 21.58 32.56 91.75 51.44 -64.52 -41.26 7.01 0.04 92.95 0.87 0.60 5.23 92.52 0.72 0.02 0.02 0.02 36 L H H 25.66 15.44 20.03 35.81 92.49 50.45 -65.80 -40.31 13.84 0.33 85.83 4.08 1.95 8.33 83.89 1.41 0.05 0.16 0.14 37 H H H 69.78 10.90 21.22 32.21 92.25 51.46 -65.26 -40.48 14.82 1.28 83.90 8.79 2.45 5.09 80.89 1.61 0.03 0.77 0.36 38 V H H 63.61 7.52 20.10 28.27 92.98 51.85 -65.71 -41.03 13.57 1.41 85.02 8.84 2.10 4.10 81.56 2.10 0.03 0.98 0.29 39 Q H H 82.94 6.24 19.66 26.23 93.68 49.90 -66.74 -40.03 14.93 1.41 83.66 9.52 2.16 4.65 79.59 2.71 0.03 1.07 0.28 40 R H H 93.86 7.92 17.43 26.17 93.60 50.76 -67.80 -37.75 17.22 1.78 81.00 9.84 2.77 6.32 75.84 3.46 0.05 1.31 0.41 41 C H H 33.93 11.06 12.53 24.90 93.55 52.48 -67.13 -36.57 21.76 1.76 76.48 13.38 3.39 6.94 70.97 3.61 0.03 1.20 0.47 42 Q H H 121.63 2.80 14.59 18.36 93.82 54.22 -68.22 -34.19 27.52 1.32 71.16 14.04 4.24 11.12 65.07 4.25 0.04 0.79 0.45 43 D H H 109.96 1.99 13.22 15.85 95.43 52.64 -78.67 -12.78 42.70 0.87 56.44 14.95 7.03 22.24 50.87 4.02 0.06 0.42 0.41 44 K C T 125.14 4.47 11.81 17.54 98.47 51.09 -89.45 0.91 74.92 0.49 24.59 14.15 11.73 48.31 21.69 3.57 0.02 0.20 0.33 45 G C T 63.08 1.01 15.26 15.62 97.27 -115.14 74.61 18.67 97.60 0.35 2.04 32.17 12.96 52.81 0.94 0.80 0.00 0.18 0.14 46 L C C 47.41 12.18 8.36 21.32 120.80 145.99 -92.30 145.43 97.27 1.66 1.07 84.68 11.64 0.99 0.79 0.28 0.00 0.70 0.92 47 T C C 76.69 2.22 19.56 20.57 118.62 -114.38 -75.89 157.16 95.80 1.86 2.34 93.67 1.74 0.72 1.97 0.28 0.00 0.86 0.76 48 Y H H 104.10 13.08 12.07 25.27 92.45 -112.22 -58.50 -39.77 7.82 0.24 91.94 4.64 1.44 2.42 89.78 1.51 0.01 0.14 0.07 49 Q H H 119.00 2.03 18.32 20.00 92.48 53.20 -64.66 -39.55 3.98 0.28 95.73 1.95 0.59 1.76 93.59 1.80 0.01 0.26 0.04 50 E H H 94.23 4.00 19.11 23.37 92.33 48.34 -66.80 -39.49 2.16 0.17 97.67 1.07 0.30 0.94 95.71 1.78 0.00 0.17 0.02 51 A H H 9.41 17.36 12.58 30.70 92.12 52.12 -64.16 -42.13 1.73 0.09 98.18 0.81 0.23 0.77 97.09 1.01 0.00 0.07 0.01 52 M H H 71.77 8.03 18.27 27.32 92.05 50.46 -64.53 -40.42 2.16 0.10 97.74 0.87 0.28 1.09 96.83 0.84 0.00 0.07 0.02 53 E H H 103.49 2.21 20.75 21.69 92.31 50.30 -65.50 -39.96 3.59 0.12 96.29 1.12 0.43 2.08 95.21 1.05 0.01 0.08 0.02 54 S H H 26.02 10.64 15.37 27.65 92.61 51.97 -65.93 -38.56 7.71 0.19 92.11 2.48 1.03 4.40 89.87 2.03 0.02 0.11 0.06 55 K H H 65.43 15.08 13.61 28.29 92.92 54.87 -66.26 -33.76 14.25 0.41 85.34 4.29 1.90 8.55 81.05 3.77 0.04 0.23 0.17 56 K H H 135.78 3.14 17.16 21.08 93.23 54.63 -68.96 -28.94 27.04 0.46 72.50 5.99 3.46 18.27 67.65 4.10 0.08 0.24 0.23 57 K H H 133.25 2.91 16.58 19.88 96.13 52.99 -79.62 -16.97 46.55 1.00 52.45 13.94 7.07 26.95 47.35 3.67 0.07 0.45 0.51 58 Y C C 77.99 13.93 11.10 24.84 108.03 64.17 -93.06 82.26 75.90 3.38 20.72 45.45 15.90 13.68 18.52 3.14 0.02 1.42 1.86 59 K C C 120.82 5.69 15.84 22.92 115.21 142.74 -91.39 126.69 91.05 2.50 6.45 66.85 19.55 4.29 5.16 1.69 0.00 1.27 1.19 60 P C C 62.58 11.52 11.71 23.78 110.49 -117.34 -68.14 145.17 82.12 1.80 16.08 59.54 9.67 12.44 9.42 7.05 0.00 1.01 0.88 61 R C C 145.53 5.53 13.87 20.77 107.11 -132.88 -80.71 93.16 74.42 2.81 22.77 44.54 13.32 16.32 12.87 10.09 0.01 1.42 1.43 62 S C C 58.26 7.59 12.85 21.54 111.70 39.69 -90.59 131.12 69.00 3.01 27.99 40.31 14.35 14.16 16.30 11.92 0.02 1.53 1.41 63 K C C 128.59 6.27 14.01 21.51 99.19 -140.06 -77.34 -10.06 58.41 2.94 38.65 29.61 13.64 15.48 23.32 15.15 0.05 1.56 1.19 64 S C C 58.51 7.39 15.86 24.12 103.03 77.07 -79.73 -13.20 58.36 4.02 37.62 32.54 11.47 14.48 23.75 13.95 0.06 2.37 1.39 65 L C C 46.87 15.42 12.66 27.76 101.24 76.14 -84.08 5.98 53.58 5.06 41.36 37.65 7.97 7.70 28.12 13.74 0.02 3.18 1.62 66 R H H 118.76 7.37 18.89 26.78 98.96 88.17 -72.64 -27.24 39.17 6.39 54.44 24.44 6.88 8.74 35.75 18.15 0.07 4.41 1.56 67 L H H 53.03 13.23 16.98 30.29 94.58 60.31 -69.52 -30.64 33.80 5.69 60.52 15.76 6.26 11.95 37.03 23.48 0.16 3.99 1.35 68 L H H 43.10 17.18 15.48 31.77 97.08 58.72 -77.31 -21.07 40.77 3.33 55.90 14.03 8.09 18.30 33.43 22.65 0.24 2.08 1.19 69 N C H 84.46 8.88 18.23 27.40 98.07 58.84 -88.10 -3.80 57.25 2.27 40.48 20.46 14.27 23.62 24.01 15.13 0.18 1.06 1.27 70 K C C 91.61 8.58 17.94 27.10 110.37 78.62 -94.13 110.40 68.58 1.64 29.79 36.97 20.91 11.44 12.11 16.80 0.02 0.67 1.09 71 P H G 50.08 16.39 13.40 29.09 95.15 -146.65 -64.54 -23.92 36.13 0.77 63.10 13.08 5.29 17.57 7.54 55.83 0.00 0.48 0.21 72 S H G 71.36 6.39 18.02 25.38 93.76 67.34 -73.38 -15.24 36.77 1.31 61.92 11.74 6.35 19.40 6.26 55.09 0.01 0.82 0.34 73 V H G 74.02 9.19 19.17 28.71 98.85 58.39 -91.56 -0.97 44.08 2.61 53.31 22.36 10.09 13.13 5.43 46.68 0.01 1.42 0.86 74 F C S 28.23 22.04 13.43 34.88 117.19 107.60 -84.58 136.89 98.73 0.97 0.30 49.20 49.35 0.38 0.12 0.13 0.00 0.33 0.50 75 P C C 22.86 14.87 17.94 33.79 117.30 -109.65 -67.55 153.43 98.49 1.38 0.12 96.56 1.88 0.15 0.05 0.04 0.00 0.49 0.83 76 K C C 91.14 6.61 23.30 29.93 120.58 -109.83 -77.54 159.13 89.30 10.38 0.32 86.32 1.37 0.13 0.14 0.09 0.00 1.55 10.40 77 E H G 46.32 19.76 12.17 31.32 90.97 -110.36 -57.66 -36.94 7.33 0.11 92.56 1.01 0.85 4.48 1.21 92.35 0.00 0.08 0.01 78 N H G 125.35 1.77 18.71 20.75 89.66 60.14 -67.82 -17.69 6.73 0.06 93.21 0.41 0.55 5.08 1.11 92.80 0.00 0.05 0.00 79 Q H G 102.29 5.72 17.52 24.26 92.70 57.61 -87.60 -8.09 7.67 0.08 92.24 0.85 0.89 4.76 1.13 92.31 0.00 0.06 0.01 80 M C S 19.26 22.63 7.96 28.83 119.68 94.35 -84.57 143.81 96.35 1.06 2.59 39.10 56.27 0.99 1.08 0.99 0.00 0.20 1.37 81 S C C 51.28 4.57 19.45 24.45 118.21 -113.27 -71.80 155.21 98.01 0.66 1.33 92.28 4.79 0.82 0.80 0.39 0.00 0.14 0.78 82 S H G 66.64 8.79 15.36 25.18 91.49 -107.89 -58.76 -34.34 32.70 0.19 67.11 1.84 2.85 27.31 7.58 60.24 0.00 0.11 0.08 83 K H G 104.54 8.95 19.05 28.58 91.12 62.95 -66.86 -21.93 33.51 0.15 66.34 1.00 2.18 29.85 7.75 59.09 0.00 0.09 0.05 84 D H G 22.32 18.69 16.25 34.88 94.76 53.29 -87.80 -8.61 27.81 0.67 71.52 4.60 3.84 19.00 8.81 63.13 0.00 0.40 0.23 85 K C T 51.20 17.03 20.29 36.64 94.08 78.12 -70.08 -22.89 81.15 3.19 15.66 16.03 12.68 52.05 6.10 9.46 0.06 1.55 2.07 86 Y C T 59.44 15.65 21.73 37.08 99.82 45.19 -102.72 10.85 89.83 4.52 5.65 13.13 18.20 58.73 1.49 4.00 0.01 3.43 1.02 87 W C E 45.24 16.77 21.12 37.95 124.29 99.79 -106.09 145.82 56.56 42.44 1.00 31.44 21.32 5.02 0.26 0.83 0.00 37.50 3.62 88 T E E 27.88 16.15 22.03 38.16 121.15 -150.85 -111.83 134.36 19.30 80.39 0.31 15.18 3.95 0.67 0.17 0.21 0.00 75.46 4.35 89 F E E 33.49 17.15 16.90 34.31 125.74 -156.79 -114.14 144.50 14.02 85.82 0.16 11.40 1.69 0.16 0.14 0.07 0.00 73.92 12.61 90 D C C 42.91 9.37 18.02 29.03 111.56 -130.19 -91.89 120.22 64.06 35.88 0.05 62.45 1.49 0.12 0.01 0.04 0.00 33.26 2.64 91 K C T 106.00 10.84 13.39 25.22 92.38 -147.31 -67.46 -18.81 99.40 0.35 0.25 0.86 11.25 87.30 0.01 0.24 0.00 0.27 0.05 92 K C T 158.59 1.25 15.64 16.31 95.15 56.03 -88.93 -10.17 99.59 0.24 0.18 0.76 14.73 84.13 0.01 0.18 0.00 0.16 0.04 93 A C S 44.25 7.95 9.85 19.67 119.65 72.37 -106.10 133.22 87.02 12.78 0.21 30.75 56.73 1.09 0.04 0.18 0.00 8.53 2.67 94 V C T 119.35 1.99 13.49 16.69 111.60 -111.68 -64.32 135.95 89.48 9.76 0.76 3.60 10.26 76.35 0.04 0.76 0.00 8.23 0.75 95 G C T 53.12 3.28 15.55 19.74 94.07 19.20 82.44 -0.69 89.98 9.53 0.49 4.07 11.32 74.74 0.02 0.54 0.00 8.91 0.40 96 Y C C 74.74 11.16 13.22 25.72 119.67 123.46 -95.92 142.59 55.04 44.65 0.31 43.53 10.22 1.03 0.09 0.31 0.00 40.89 3.93 97 R E E 95.73 11.75 16.67 28.71 122.01 -154.81 -105.46 139.54 20.73 78.93 0.34 17.31 1.53 0.28 0.26 0.15 0.00 58.54 21.94 98 K C C 72.37 14.09 16.85 30.82 118.58 -127.63 -92.69 141.34 57.69 41.60 0.70 49.24 5.32 1.83 0.24 0.53 0.00 40.08 2.77 99 G C C 25.91 12.25 16.69 29.24 116.62 -121.57 -83.76 153.50 74.39 24.56 1.05 53.25 16.54 4.55 0.29 0.89 0.00 22.18 2.30 100 I C C 79.96 12.27 16.05 28.16 110.35 -130.58 -93.03 94.91 72.99 25.17 1.85 48.28 19.77 5.93 0.53 1.53 0.01 19.84 4.12 101 H C C 85.00 10.60 15.54 26.69 120.29 122.64 -107.56 140.21 74.97 23.25 1.78 47.31 21.38 7.60 0.41 1.55 0.01 18.70 3.06 102 K C C 125.83 6.39 17.64 25.13 111.60 -130.60 -96.10 120.52 79.30 19.43 1.27 51.51 22.82 5.07 0.33 1.13 0.00 15.43 3.72 103 V C C 47.58 15.00 12.35 27.35 119.84 -157.82 -105.84 134.45 85.41 14.32 0.27 61.70 23.61 0.89 0.09 0.19 0.00 10.64 2.88 104 P C C 55.60 8.84 15.48 25.72 112.91 -107.33 -66.85 148.93 92.28 6.66 1.06 80.37 8.96 2.79 0.33 0.74 0.00 5.21 1.61 105 K C C 123.11 7.13 15.41 23.43 102.45 -119.88 -71.26 -11.76 81.44 5.21 13.35 42.64 23.10 16.50 4.07 8.64 0.02 2.86 2.18 106 W C C 124.12 8.08 14.82 23.78 100.94 54.78 -78.37 2.20 73.95 9.15 16.91 43.96 15.35 15.26 5.69 10.64 0.05 5.22 3.83 107 T C C 40.32 13.79 11.85 25.83 105.06 102.76 -84.45 38.25 71.94 10.24 17.82 50.12 12.39 9.15 8.31 9.61 0.02 6.33 4.07 108 K C C 111.17 6.96 14.95 22.74 101.16 64.39 -78.31 12.59 73.65 8.43 17.91 46.27 17.40 10.27 9.97 7.86 0.03 5.04 3.16 109 I C C 95.14 6.73 13.74 21.47 98.35 60.35 -78.48 -24.65 74.19 5.83 19.97 43.93 18.99 11.89 10.59 9.03 0.02 3.45 2.11 110 S C C 55.67 8.31 12.50 21.74 102.15 56.72 -82.25 -11.73 79.49 4.59 15.92 50.68 16.89 12.33 7.02 8.62 0.00 2.88 1.57 111 I C C 103.31 6.31 13.20 20.56 98.79 60.04 -85.75 1.56 82.63 6.16 11.21 55.43 16.96 10.51 4.15 6.91 0.01 3.99 2.05 112 R C C 119.30 9.00 11.22 21.09 107.91 102.56 -85.10 90.98 85.09 10.08 4.84 67.91 11.67 5.02 2.16 2.77 0.00 6.74 3.74 113 K C C 140.18 2.96 15.21 19.44 115.68 84.40 -98.80 131.22 85.85 12.66 1.49 70.69 12.21 1.98 0.77 0.78 0.00 6.83 6.73 114 A C C 54.39 11.44 9.65 21.48 116.29 -126.99 -82.43 137.75 96.62 3.24 0.13 81.65 14.80 0.44 0.05 0.08 0.00 1.85 1.13 115 P C C 53.73 9.30 9.92 20.70 114.35 -106.74 -66.67 151.02 98.85 0.67 0.48 93.76 3.43 1.71 0.11 0.33 0.00 0.33 0.33 116 K C T 166.71 1.19 13.13 14.43 101.93 -101.01 -65.77 100.76 97.68 0.49 1.83 15.40 16.76 65.27 0.23 1.81 0.00 0.27 0.24 117 F C T 150.23 3.17 11.25 15.76 97.87 30.12 -8.71 1.50 97.30 0.58 2.12 28.69 7.09 61.57 0.29 1.78 0.00 0.31 0.26 118 F C C 78.19 13.02 9.71 22.57 109.91 111.39 -89.20 111.44 99.45 0.47 0.09 98.97 0.48 0.15 0.02 0.03 0.00 0.24 0.11