# 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 T C C 83.85 6.74 13.08 21.18 117.69 -153.45 -101.39 138.35 99.89 0.10 0.00 99.83 0.09 0.02 0.00 0.00 0.00 0.05 0.01 1 V C C 98.58 4.67 13.30 19.61 116.47 -140.76 -93.30 134.92 84.90 13.89 1.21 83.72 1.04 0.75 0.68 0.35 0.00 10.04 3.41 2 K C C 121.41 7.46 11.44 20.49 115.69 -138.48 -90.65 132.49 69.80 27.76 2.43 60.21 5.88 1.98 1.32 1.25 0.00 20.57 8.79 3 T C C 70.40 7.62 13.93 22.79 122.24 -170.99 -118.26 148.20 71.63 25.37 3.00 57.54 9.51 3.56 1.45 1.73 0.01 19.89 6.32 4 G C C 39.57 7.62 16.02 24.29 110.75 -78.23 82.60 2.64 74.82 20.53 4.65 49.91 19.04 6.30 2.23 2.53 0.02 15.58 4.39 5 I C C 67.54 10.68 14.02 25.65 118.92 -13.70 -98.03 137.27 68.47 22.76 8.77 48.33 13.76 5.79 5.20 3.98 0.09 14.87 7.98 6 A C C 50.95 9.34 14.29 24.71 112.52 -134.45 -87.04 125.99 67.62 21.52 10.86 44.33 14.04 9.02 5.77 5.17 0.09 14.02 7.56 7 I C S 89.79 7.09 13.54 21.75 125.26 21.11 -126.64 140.40 65.86 19.59 14.55 25.58 26.26 15.49 5.95 7.68 0.49 10.15 8.41 8 G C T 47.09 3.29 15.71 19.55 116.21 11.36 72.64 -147.55 65.44 4.48 30.07 12.13 24.58 30.60 3.93 24.06 0.08 2.42 2.20 9 L C T 117.64 4.55 13.89 19.26 94.41 -23.71 -73.96 -21.32 65.19 2.16 32.64 4.92 12.21 47.21 2.91 30.34 0.04 1.28 1.08 10 N C T 66.41 10.00 10.58 21.48 98.11 53.96 -99.80 18.78 64.57 6.30 29.14 9.94 12.81 41.87 2.81 26.44 0.07 3.91 2.16 11 K C T 133.22 4.89 11.34 18.67 110.27 134.72 -62.56 129.08 87.50 6.94 5.55 6.77 7.86 72.93 1.26 4.06 0.01 4.51 2.60 12 G C T 59.93 1.69 14.61 16.38 94.88 16.14 83.99 -0.87 92.57 4.74 2.69 6.93 11.63 73.81 0.33 2.59 0.00 4.04 0.67 13 K C C 101.56 6.44 11.60 19.98 117.88 122.87 -85.27 141.27 79.57 18.74 1.70 57.23 19.12 3.41 0.45 1.43 0.00 14.98 3.37 14 K E C 144.82 2.82 15.25 19.35 113.63 -112.22 -76.37 135.45 40.70 58.49 0.81 36.29 2.58 0.66 0.54 0.35 0.00 34.21 25.37 15 V C C 60.65 13.69 9.28 22.68 119.47 -157.42 -104.43 137.72 67.16 32.19 0.65 58.04 7.62 1.20 0.30 0.41 0.00 27.47 4.95 16 T C C 79.58 4.85 14.13 20.29 118.56 -141.82 -104.95 139.09 73.12 26.40 0.48 63.60 8.08 1.07 0.17 0.33 0.00 23.30 3.45 17 S C C 78.55 3.89 13.17 18.59 112.96 -106.53 -70.24 143.11 81.04 18.17 0.79 69.07 9.49 1.94 0.25 0.58 0.00 16.12 2.55 18 M C C 104.55 8.36 8.57 18.04 113.09 -122.66 -83.98 129.69 94.87 4.71 0.41 78.75 15.06 1.15 0.14 0.28 0.00 2.95 1.66 19 T C C 103.57 2.07 11.83 15.23 116.76 -150.01 -101.52 133.58 98.24 1.53 0.23 82.51 15.11 0.76 0.08 0.14 0.00 0.87 0.53 20 P C C 98.29 4.03 10.07 16.06 113.90 -106.50 -69.44 146.59 98.56 1.06 0.37 87.07 10.61 0.92 0.13 0.20 0.00 0.50 0.58 21 A C C 74.60 3.85 10.76 16.53 116.02 -108.07 -75.05 146.92 98.97 0.51 0.52 88.96 9.65 0.47 0.27 0.16 0.00 0.19 0.31 22 P C C 87.39 5.16 10.29 17.38 113.81 -102.96 -65.01 147.40 97.08 0.70 2.23 90.27 5.76 1.32 1.11 0.79 0.00 0.26 0.49 23 K C C 126.72 4.47 10.68 16.89 114.68 -115.19 -82.66 139.57 93.14 1.67 5.19 87.08 4.92 1.49 2.67 1.88 0.00 0.55 1.41 24 I C G 110.64 4.60 11.05 17.28 96.99 -120.46 -65.43 -30.24 49.57 1.54 48.89 26.76 8.41 14.36 9.76 39.23 0.00 0.84 0.63 25 S H G 66.81 5.53 11.09 18.14 98.77 62.90 -79.17 -12.78 47.00 1.24 51.77 19.38 8.98 18.66 10.36 41.43 0.01 0.69 0.50 26 Y H G 139.72 5.59 11.88 18.77 99.68 60.75 -92.69 4.06 48.93 1.57 49.50 24.44 11.46 13.37 11.14 38.08 0.01 0.82 0.67 27 K C C 111.88 6.61 11.12 19.27 114.38 101.08 -89.33 131.30 72.89 2.36 24.74 46.33 15.52 10.88 11.35 13.30 0.01 1.03 1.60 28 K C C 145.39 3.26 12.29 17.06 112.51 -134.95 -87.81 129.67 80.08 2.66 17.26 32.67 16.72 31.60 9.35 6.87 0.02 1.21 1.56 29 G C T 45.09 5.36 12.48 19.08 116.34 15.04 98.45 -170.55 83.55 1.82 14.64 27.26 22.28 34.88 6.37 7.30 0.01 0.85 1.04 30 A C C 69.42 5.25 12.19 18.80 112.14 -62.19 -85.01 135.05 82.45 3.61 13.95 57.63 14.33 10.07 7.67 6.31 0.00 1.66 2.33 31 A C C 65.52 7.24 10.73 19.26 106.60 -132.63 -81.25 99.64 84.79 3.20 12.01 59.43 16.40 8.53 7.77 4.39 0.00 1.41 2.06 32 S C C 54.46 5.26 11.82 18.55 121.36 -129.20 -93.22 161.34 87.08 2.27 10.65 60.54 20.64 5.55 8.09 2.75 0.00 0.81 1.60 33 N H H 126.66 1.63 13.01 15.31 93.68 -102.44 -63.30 -31.85 40.89 0.47 58.64 6.98 10.84 23.26 46.28 11.96 0.14 0.20 0.33 34 R H H 148.66 2.92 13.71 17.53 94.02 54.30 -70.58 -32.36 41.58 0.47 57.95 5.46 7.16 28.32 46.27 12.11 0.15 0.23 0.30 35 T H H 42.07 10.99 11.08 22.93 97.87 48.52 -79.04 -20.79 35.85 0.65 63.50 11.51 5.15 19.69 53.20 9.72 0.06 0.34 0.33 36 K H H 113.67 5.19 15.06 21.66 92.82 74.46 -62.63 -41.42 4.84 0.06 95.09 2.13 0.84 1.77 94.41 0.80 0.00 0.03 0.02 37 F H H 127.09 2.13 18.21 19.79 92.56 50.67 -65.09 -41.27 2.05 0.03 97.91 0.64 0.26 1.12 97.32 0.63 0.01 0.02 0.01 38 V H H 48.83 10.05 16.98 27.79 92.31 48.84 -65.69 -41.88 0.98 0.02 99.01 0.28 0.12 0.53 98.58 0.47 0.00 0.01 0.00 39 R H H 67.62 13.73 16.07 29.92 91.87 51.53 -63.73 -41.34 0.65 0.01 99.34 0.15 0.07 0.36 99.12 0.29 0.00 0.00 0.00 40 S H H 51.30 4.23 19.74 24.42 91.75 51.35 -64.29 -40.65 1.25 0.01 98.73 0.22 0.10 0.82 98.49 0.36 0.00 0.01 0.00 41 L H H 69.61 5.35 19.50 25.46 92.17 49.99 -65.15 -41.96 1.93 0.02 98.05 0.27 0.18 1.40 97.74 0.39 0.01 0.01 0.00 42 V H H 27.50 14.56 15.10 30.52 92.37 49.90 -65.53 -42.00 3.36 0.05 96.59 0.48 0.43 2.42 96.19 0.44 0.02 0.02 0.01 43 R H H 107.79 9.49 16.43 26.42 92.21 50.82 -64.19 -40.39 4.95 0.06 94.99 0.74 0.56 3.57 94.23 0.83 0.02 0.03 0.02 44 E H H 129.16 2.31 18.15 20.41 93.79 46.67 -69.89 -38.31 8.07 0.07 91.87 0.66 0.75 6.85 90.65 0.99 0.05 0.03 0.03 45 I H H 90.49 6.52 16.34 23.28 99.76 36.31 -86.41 -36.81 19.95 0.11 79.94 0.90 2.01 17.32 78.38 1.16 0.12 0.04 0.07 46 A H H 43.13 10.87 14.74 26.05 100.63 24.14 -98.16 -13.37 39.12 0.39 60.48 3.37 8.88 27.03 58.93 1.26 0.12 0.11 0.29 47 G C C 37.92 5.76 18.20 24.95 100.20 -118.16 83.05 7.78 97.44 0.62 1.94 38.11 36.37 23.11 0.86 0.95 0.00 0.27 0.34 48 L C C 58.29 12.99 14.80 28.17 120.67 102.12 -100.11 141.42 95.22 2.75 2.03 66.35 24.21 4.13 1.15 0.82 0.00 0.88 2.47 49 S C C 28.59 10.75 16.84 28.91 119.23 -121.59 -77.53 158.95 97.02 0.30 2.67 85.43 10.21 0.96 2.84 0.24 0.00 0.08 0.24 50 P H H 68.05 7.52 18.60 27.31 91.69 -109.17 -58.56 -36.03 12.95 0.05 87.01 1.94 2.08 8.68 85.68 1.55 0.02 0.01 0.03 51 Y H H 79.75 12.64 19.21 31.79 92.22 53.67 -65.53 -38.29 9.10 0.04 90.85 1.14 0.96 6.90 89.17 1.77 0.03 0.02 0.03 52 E H H 44.39 16.12 18.12 33.85 92.52 50.86 -65.75 -40.60 3.54 0.02 96.43 1.03 0.39 2.00 95.06 1.50 0.00 0.01 0.01 53 R H H 105.49 8.52 21.23 29.94 91.87 51.31 -64.48 -41.14 0.73 0.00 99.27 0.20 0.06 0.35 99.11 0.27 0.00 0.00 0.00 54 R H H 99.12 8.18 22.49 30.88 91.96 50.08 -64.65 -41.00 0.50 0.00 99.50 0.08 0.03 0.30 99.41 0.19 0.00 0.00 0.00 55 L H H 17.83 18.77 18.95 37.69 92.13 50.46 -64.42 -42.66 0.40 0.00 99.59 0.04 0.02 0.26 99.48 0.19 0.00 0.00 0.00 56 I H H 40.76 12.95 20.62 33.99 91.55 50.47 -63.55 -42.10 0.25 0.00 99.75 0.02 0.01 0.17 99.67 0.13 0.00 0.00 0.00 57 D H H 60.68 5.09 22.66 27.89 91.45 51.00 -63.87 -41.28 0.39 0.00 99.61 0.03 0.02 0.28 99.42 0.24 0.00 0.00 0.00 58 L H H 31.81 11.77 17.93 31.11 91.66 50.66 -64.34 -41.65 0.67 0.00 99.33 0.04 0.03 0.53 98.66 0.73 0.00 0.00 0.00 59 I H H 35.11 15.77 15.43 31.36 92.21 49.74 -65.96 -39.45 2.31 0.00 97.69 0.20 0.16 1.78 96.74 1.10 0.00 0.00 0.00 60 R H H 142.23 4.51 18.01 23.31 92.50 50.22 -67.99 -32.47 10.62 0.02 89.36 0.51 0.64 9.29 88.65 0.88 0.02 0.01 0.01 61 N H H 101.62 3.56 15.83 20.00 99.55 41.59 -95.78 -1.02 42.40 0.14 57.46 2.85 4.66 33.40 57.68 1.23 0.04 0.04 0.10 62 S C T 52.47 9.66 11.52 21.87 97.48 73.55 -80.65 -5.24 87.48 0.39 12.13 24.19 18.40 44.44 10.74 1.78 0.00 0.14 0.31 63 G C C 58.89 1.89 16.55 18.84 96.10 -127.45 74.21 9.36 98.08 0.30 1.62 42.38 25.48 30.39 0.60 0.84 0.00 0.13 0.18 64 E C C 66.49 10.89 10.80 23.02 108.03 131.24 -84.12 111.19 97.40 0.43 2.17 88.40 7.68 1.39 1.59 0.43 0.00 0.12 0.39 65 K H H 141.60 2.81 16.36 20.52 94.11 -167.61 -67.00 -34.63 10.48 0.04 89.47 4.16 2.73 3.18 89.18 0.70 0.00 0.01 0.02 66 R H H 130.31 3.44 19.57 23.19 91.96 54.59 -64.71 -40.86 2.79 0.01 97.20 0.58 0.34 1.63 96.83 0.60 0.00 0.00 0.00 67 A H H 10.01 17.53 14.44 32.70 91.76 50.16 -64.53 -42.15 1.19 0.01 98.80 0.33 0.12 0.62 98.26 0.66 0.00 0.01 0.00 68 R H H 74.51 13.48 17.50 31.00 91.50 51.70 -62.64 -41.83 0.51 0.00 99.49 0.13 0.05 0.24 99.28 0.29 0.00 0.00 0.00 69 K H H 114.47 2.11 24.21 24.62 91.82 50.08 -63.96 -42.24 0.53 0.01 99.46 0.11 0.04 0.27 99.43 0.13 0.00 0.00 0.00 70 V H H 38.12 8.24 20.67 30.21 91.64 49.26 -63.99 -42.74 0.62 0.01 99.38 0.10 0.05 0.36 99.35 0.15 0.00 0.00 0.00 71 A H H 4.69 20.42 13.53 34.72 91.22 50.87 -62.95 -42.64 0.73 0.01 99.26 0.12 0.07 0.41 99.31 0.09 0.00 0.00 0.00 72 K H H 96.36 8.16 17.42 26.43 91.76 50.81 -64.06 -40.18 0.69 0.00 99.31 0.08 0.05 0.41 99.34 0.11 0.00 0.00 0.00 73 K H H 151.39 1.14 19.43 18.98 92.21 49.22 -66.29 -38.91 1.09 0.00 98.91 0.05 0.05 0.89 98.81 0.19 0.00 0.00 0.00 74 R H H 118.27 6.86 16.80 24.53 97.54 38.44 -81.17 -38.15 3.40 0.00 96.59 0.06 0.15 3.22 96.32 0.24 0.01 0.00 0.00 75 L H H 50.81 12.28 12.52 25.49 101.72 25.88 -105.34 -16.49 10.85 0.03 89.13 0.46 1.36 8.62 89.30 0.23 0.02 0.00 0.02 76 G C S 51.01 2.15 17.51 19.69 98.40 -124.93 78.84 -3.95 99.46 0.17 0.36 29.64 63.42 6.47 0.17 0.13 0.00 0.06 0.11 77 S C S 46.97 3.48 18.08 22.09 136.24 25.88 -147.51 163.56 97.79 1.41 0.80 37.72 59.12 0.73 0.71 0.11 0.00 0.21 1.41 78 F H H 107.93 10.75 12.79 24.24 91.74 -108.24 -61.47 -36.50 5.04 0.01 94.94 0.76 2.12 1.93 94.84 0.34 0.00 0.00 0.01 79 T H H 98.98 1.34 19.29 19.28 91.62 53.11 -63.23 -41.67 1.64 0.00 98.35 0.13 0.18 1.16 98.20 0.32 0.00 0.00 0.00 80 R H H 108.47 4.25 19.24 23.95 92.09 47.21 -66.12 -39.57 0.54 0.00 99.46 0.08 0.05 0.35 99.19 0.34 0.00 0.00 0.00 81 A H H 6.90 18.45 12.35 31.63 91.03 52.37 -62.31 -43.14 0.22 0.00 99.78 0.03 0.01 0.12 99.72 0.11 0.00 0.00 0.00 82 K H H 104.65 5.98 20.86 27.52 91.66 50.73 -63.47 -41.41 0.14 0.00 99.86 0.02 0.00 0.08 99.86 0.04 0.00 0.00 0.00 83 A H H 56.49 2.17 22.51 23.06 91.42 50.00 -63.87 -42.45 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 84 K H H 65.69 11.10 19.40 30.93 92.12 49.33 -65.37 -40.80 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 85 V H H 25.27 16.36 16.42 33.08 91.79 50.61 -63.50 -42.34 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 86 E H H 108.26 2.29 22.73 23.77 91.40 50.09 -63.49 -41.84 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 87 E H H 98.76 3.29 21.53 24.42 91.65 49.43 -64.76 -41.60 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 88 M H H 28.93 15.80 16.08 32.53 92.08 50.19 -64.89 -40.91 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 89 N H H 71.84 7.97 19.06 27.76 91.47 52.20 -63.32 -40.10 0.25 0.00 99.75 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 90 N H H 98.16 1.84 21.24 21.59 92.08 50.13 -65.51 -40.11 0.35 0.00 99.65 0.03 0.02 0.22 99.69 0.04 0.00 0.00 0.00 91 I H H 62.04 7.21 18.29 26.68 92.18 49.67 -64.89 -42.80 0.29 0.00 99.71 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 92 I H H 45.67 10.04 15.82 27.32 92.05 48.92 -64.36 -42.42 0.34 0.00 99.66 0.06 0.02 0.19 99.65 0.08 0.00 0.00 0.00 93 A H H 50.94 3.00 16.68 20.25 91.59 50.63 -63.43 -41.08 0.62 0.00 99.38 0.08 0.04 0.38 99.33 0.16 0.00 0.00 0.00 94 A H H 55.06 2.58 14.81 18.02 91.87 51.01 -65.12 -39.68 2.07 0.00 97.92 0.21 0.13 1.47 97.66 0.52 0.00 0.00 0.00 95 S H H 52.55 5.87 11.56 19.15 92.63 51.91 -66.98 -35.55 8.15 0.01 91.84 0.74 0.57 6.28 91.28 1.12 0.00 0.00 0.01 96 R H H 155.39 2.69 11.01 15.08 93.26 54.04 -69.77 -28.13 29.18 0.14 70.68 3.90 2.85 22.08 69.41 1.61 0.02 0.05 0.09 97 R C H 176.67 1.15 10.46 11.99 97.30 57.49 -78.84 -13.48 60.69 0.39 38.92 26.42 1.58 30.32 39.66 1.61 0.00 0.14 0.25 98 H C C 136.82 2.98 10.20 14.87 104.87 86.36 -83.19 59.15 99.94 0.02 0.04 99.80 0.08 0.08 0.02 0.00 0.00 0.01 0.00