# 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 119.68 4.92 11.62 18.05 115.30 -158.04 -97.18 132.28 99.88 0.11 0.01 99.85 0.07 0.02 0.00 0.00 0.00 0.05 0.01 1 V C C 102.38 4.09 8.78 14.66 116.04 -154.02 -96.64 134.05 90.19 4.47 5.35 85.25 1.40 4.03 3.37 1.41 0.00 2.75 1.80 2 N C C 115.74 2.52 8.97 13.17 111.89 -140.53 -90.09 125.97 88.23 3.66 8.10 64.98 14.39 8.79 5.29 2.90 0.00 2.21 1.43 3 E C C 133.24 3.18 8.95 13.95 109.09 -150.23 -88.31 110.00 80.06 2.87 17.07 58.31 14.32 7.20 12.54 4.80 0.00 1.66 1.17 4 T C C 91.49 3.73 9.85 15.19 109.01 -139.87 -85.18 116.62 74.89 2.24 22.87 52.01 10.31 12.32 17.25 5.86 0.00 1.35 0.90 5 G C C 45.31 4.74 10.84 16.95 101.36 48.56 -66.83 1.82 74.61 1.85 23.54 51.44 10.78 12.06 18.03 5.83 0.00 1.03 0.83 6 E C C 120.33 3.88 11.63 16.95 101.00 61.69 -77.86 -21.26 63.30 1.70 35.00 43.34 12.11 7.89 29.05 6.02 0.00 0.89 0.69 7 S C C 69.95 4.31 11.58 17.28 100.44 56.89 -80.53 -12.49 60.66 1.81 37.53 42.53 10.00 8.17 31.30 6.31 0.00 0.99 0.69 8 Q C C 103.24 6.30 11.10 18.70 100.60 65.63 -81.29 -9.49 57.83 2.33 39.84 40.06 10.47 7.82 32.89 6.62 0.01 1.28 0.85 9 K C C 129.34 4.10 12.99 18.45 99.07 66.77 -77.45 -16.90 58.98 2.54 38.48 41.34 10.66 7.32 32.20 6.16 0.01 1.37 0.94 10 A C C 66.21 5.02 13.10 19.38 97.64 59.49 -74.72 -23.84 63.92 2.86 33.22 46.00 10.33 7.52 26.96 6.48 0.01 1.59 1.10 11 A C C 57.23 7.92 11.81 20.77 100.67 57.29 -82.04 -1.99 73.46 3.48 23.06 56.88 7.54 8.61 16.70 6.70 0.00 2.09 1.48 12 K C C 129.60 5.31 13.32 19.89 107.57 74.87 -81.55 110.72 80.79 5.33 13.88 39.37 14.81 27.50 8.10 5.02 0.02 2.92 2.27 13 G C C 44.82 5.67 13.49 20.11 106.62 12.96 89.27 -3.02 90.86 5.38 3.76 38.23 26.49 26.99 1.25 2.20 0.00 3.51 1.33 14 T C C 75.41 4.95 12.79 19.29 119.48 97.84 -99.47 137.76 85.94 13.37 0.69 63.28 22.21 0.83 0.40 0.32 0.00 6.00 6.96 15 P C C 62.98 6.92 10.35 19.15 115.20 -108.81 -67.93 151.74 81.38 17.81 0.81 77.81 2.94 0.92 0.34 0.42 0.00 8.90 8.66 16 V C T 113.31 3.59 10.11 15.29 95.22 -116.37 -68.47 -22.89 77.60 15.89 6.50 8.84 12.99 55.95 0.89 5.91 0.06 10.08 5.28 17 S C T 84.93 1.90 10.38 13.02 97.08 52.63 -88.93 6.34 92.39 1.29 6.32 3.30 11.41 76.58 0.40 7.05 0.00 0.80 0.47 18 G C S 59.07 1.61 10.93 13.19 97.06 -97.55 83.04 5.64 93.93 0.99 5.08 14.15 63.03 16.36 0.41 5.00 0.00 0.52 0.53 19 K C C 120.99 2.80 9.29 14.13 120.11 122.82 -90.89 147.48 91.11 7.80 1.09 66.63 22.80 1.87 0.53 0.60 0.00 4.40 3.16 20 V C C 108.92 2.43 11.69 15.57 113.67 -108.44 -79.87 136.01 56.19 42.20 1.61 46.93 4.96 0.92 1.10 0.56 0.00 13.80 31.72 21 W C C 121.49 9.60 7.99 18.28 111.54 -127.54 -78.41 136.05 86.84 8.96 4.19 73.33 8.75 4.24 1.92 2.29 0.00 5.39 4.09 22 K C C 131.62 3.80 10.81 16.20 114.16 -120.46 -91.21 135.48 88.95 3.72 7.33 64.26 18.14 6.44 3.22 3.94 0.00 1.86 2.13 23 A C C 78.12 3.10 10.38 15.09 113.40 -116.87 -76.98 145.95 87.12 2.11 10.77 61.80 18.28 7.14 4.27 6.27 0.00 1.04 1.21 24 E C C 147.59 2.18 9.73 13.57 111.21 -107.29 -80.22 129.82 89.41 1.65 8.94 70.29 12.35 6.83 3.52 5.22 0.00 0.80 0.99 25 K C C 137.24 3.93 7.88 13.76 115.45 -148.74 -94.11 136.98 93.54 1.41 5.05 74.53 15.15 3.78 2.59 2.32 0.00 0.55 1.08 26 T C C 103.16 1.98 10.34 13.65 116.05 -123.57 -90.06 138.43 97.07 0.71 2.22 80.77 15.29 0.97 1.81 0.47 0.00 0.30 0.39 27 P C C 93.57 4.32 8.51 14.70 112.99 -106.18 -66.64 145.28 89.82 1.04 9.15 78.42 6.59 5.02 6.33 2.54 0.00 0.51 0.57 28 L C C 120.66 3.36 8.64 13.62 108.36 -125.29 -83.35 114.61 83.74 2.45 13.82 62.85 14.42 6.38 9.96 3.75 0.00 1.04 1.60 29 R C C 165.91 2.35 9.30 13.09 115.94 -3.48 -98.41 130.01 77.82 3.41 18.76 59.55 13.08 5.01 15.36 3.61 0.00 1.71 1.68 30 A C C 74.54 4.01 8.58 14.43 109.90 -123.17 -75.33 137.70 71.51 3.58 24.91 59.09 6.50 5.91 20.34 4.70 0.00 2.06 1.39 31 K C C 146.61 2.46 10.21 13.93 106.63 -144.20 -88.22 78.93 66.78 2.34 30.88 49.09 9.26 8.10 26.27 5.08 0.00 1.21 0.99 32 S C H 68.37 4.24 8.95 14.88 107.80 56.73 -83.85 107.07 51.54 1.86 46.60 33.71 10.09 8.40 39.70 6.44 0.01 0.96 0.68 33 R H H 160.71 2.31 10.70 14.16 99.85 -126.99 -75.26 -19.25 42.53 1.65 55.82 26.26 8.76 8.58 48.17 6.77 0.02 0.94 0.51 34 V H H 90.36 3.70 10.28 15.45 101.40 73.93 -77.76 -19.12 41.59 2.06 56.35 27.68 7.13 7.76 49.53 6.04 0.02 1.25 0.59 35 V H H 82.23 5.14 9.60 16.39 104.14 60.65 -81.26 -6.28 43.07 1.89 55.04 29.11 7.29 7.66 49.14 5.12 0.02 1.07 0.59 36 K H H 137.94 2.61 11.21 15.08 101.30 57.05 -76.50 -20.62 46.99 1.26 51.75 28.76 8.56 10.54 45.75 5.23 0.02 0.64 0.50 37 N C H 106.89 3.27 9.94 14.68 101.82 56.90 -84.50 12.12 54.40 0.89 44.71 31.25 9.88 13.77 37.15 7.07 0.01 0.41 0.46 38 K C C 142.78 2.75 10.25 14.57 101.28 85.91 -79.61 -4.65 61.24 0.87 37.88 30.39 11.55 19.89 28.78 8.47 0.01 0.38 0.52 39 K C C 145.65 2.37 10.73 14.41 104.97 65.72 -84.97 26.12 70.80 1.21 28.00 36.45 13.72 20.94 19.92 7.68 0.01 0.53 0.73 40 L C C 97.55 5.71 9.05 16.43 112.20 81.15 -88.51 123.20 81.82 1.52 16.66 61.41 12.06 7.66 13.74 3.58 0.00 0.67 0.89 41 T C C 78.42 4.88 10.87 17.38 112.34 -144.90 -92.29 146.05 87.93 1.13 10.93 66.25 15.91 4.81 10.32 1.62 0.00 0.46 0.61 42 S C C 62.36 2.99 12.60 16.52 115.41 -112.19 -81.33 160.54 75.06 1.71 23.23 47.33 22.38 3.74 23.90 1.20 0.00 0.48 0.97 43 W H H 168.40 2.63 11.13 14.99 94.06 -106.72 -64.53 -37.60 5.87 0.04 94.09 2.58 1.34 2.04 93.18 0.81 0.00 0.02 0.01 44 E H H 121.09 1.42 13.69 14.74 92.48 52.90 -64.88 -40.81 3.39 0.04 96.58 1.45 0.51 1.44 95.70 0.87 0.00 0.02 0.01 45 L H H 80.50 3.09 13.24 17.46 92.36 49.65 -65.86 -40.47 1.96 0.03 98.01 0.96 0.27 0.79 97.16 0.80 0.00 0.02 0.00 46 K H H 93.22 3.92 13.09 18.48 92.21 50.88 -64.53 -41.25 1.38 0.01 98.60 0.69 0.17 0.51 98.30 0.32 0.00 0.01 0.00 47 K H H 113.08 1.87 15.42 17.06 92.00 50.24 -64.57 -40.93 1.29 0.01 98.70 0.62 0.14 0.49 98.55 0.19 0.00 0.01 0.00 48 Q H H 99.44 1.84 15.54 17.03 91.86 50.53 -64.57 -40.93 1.08 0.01 98.91 0.48 0.11 0.43 98.83 0.14 0.00 0.00 0.00 49 K H H 108.57 2.95 15.01 18.56 92.01 50.10 -64.93 -40.59 1.05 0.01 98.95 0.41 0.10 0.43 98.92 0.13 0.00 0.00 0.00 50 R H H 129.08 2.14 15.51 17.71 91.91 50.70 -64.52 -41.00 0.91 0.00 99.08 0.33 0.08 0.39 99.09 0.10 0.00 0.00 0.00 51 L H H 90.10 1.81 15.80 17.14 91.91 50.04 -64.23 -41.23 0.77 0.00 99.23 0.26 0.07 0.33 99.24 0.10 0.00 0.00 0.00 52 E H H 101.19 2.36 15.52 17.99 92.11 50.03 -64.43 -40.94 0.71 0.00 99.29 0.19 0.05 0.35 99.31 0.10 0.00 0.00 0.00 53 D H H 78.16 2.81 15.12 18.46 92.18 50.35 -64.79 -40.51 0.84 0.00 99.16 0.21 0.06 0.43 99.19 0.11 0.00 0.00 0.00 54 K H H 117.59 1.67 16.21 17.14 92.13 51.04 -64.90 -40.61 0.79 0.00 99.21 0.17 0.06 0.44 99.24 0.10 0.00 0.00 0.00 55 Q H H 94.68 2.05 15.80 17.61 92.02 50.68 -64.35 -41.28 0.71 0.00 99.29 0.15 0.05 0.37 99.34 0.08 0.00 0.00 0.00 56 F H H 100.87 3.44 14.73 18.87 91.88 49.99 -64.86 -41.55 0.48 0.00 99.51 0.12 0.04 0.23 99.55 0.06 0.00 0.00 0.00 57 K H H 112.57 2.23 15.54 17.84 91.84 50.65 -64.09 -40.96 0.40 0.00 99.60 0.09 0.03 0.20 99.63 0.05 0.00 0.00 0.00 58 E H H 109.22 1.54 16.36 16.93 91.82 50.42 -64.44 -41.33 0.35 0.00 99.64 0.07 0.02 0.19 99.67 0.05 0.00 0.00 0.00 59 R H H 130.80 2.17 15.85 17.89 91.97 49.40 -64.81 -41.03 0.32 0.00 99.68 0.06 0.02 0.17 99.70 0.05 0.00 0.00 0.00 60 L H H 79.60 3.59 14.72 19.16 91.80 50.56 -64.20 -41.74 0.37 0.00 99.63 0.07 0.03 0.19 99.66 0.06 0.00 0.00 0.00 61 K H H 120.09 1.62 16.42 17.31 91.75 49.94 -64.36 -41.08 0.56 0.00 99.44 0.10 0.04 0.31 99.48 0.07 0.00 0.00 0.00 62 A H H 56.90 1.95 15.82 17.51 91.60 50.53 -63.88 -41.22 0.81 0.00 99.19 0.14 0.06 0.46 99.24 0.10 0.00 0.00 0.00 63 L H H 83.34 2.87 14.94 18.26 91.80 49.89 -64.27 -41.19 0.92 0.00 99.07 0.23 0.08 0.46 99.11 0.12 0.00 0.00 0.00 64 K H H 113.32 2.29 15.48 17.81 91.79 50.50 -64.21 -41.30 0.76 0.00 99.24 0.20 0.07 0.37 99.26 0.10 0.00 0.00 0.00 65 D H H 83.51 1.61 15.81 16.68 91.77 49.99 -64.75 -40.72 0.86 0.00 99.13 0.21 0.08 0.43 99.16 0.11 0.00 0.00 0.00 66 E H H 105.96 1.74 15.60 16.86 91.85 50.23 -64.48 -40.95 0.70 0.00 99.30 0.16 0.06 0.35 99.33 0.10 0.00 0.00 0.00 67 K H H 113.69 2.34 15.15 17.62 92.01 50.01 -64.62 -40.98 0.60 0.00 99.40 0.14 0.05 0.30 99.43 0.08 0.00 0.00 0.00 68 E H H 102.68 2.08 15.27 17.35 91.75 50.28 -64.31 -41.42 0.55 0.00 99.44 0.12 0.04 0.28 99.49 0.07 0.00 0.00 0.00 69 E H H 110.85 1.45 16.14 16.56 91.77 49.94 -64.37 -40.84 0.49 0.00 99.51 0.09 0.04 0.25 99.56 0.07 0.00 0.00 0.00 70 A H H 56.92 2.21 15.23 17.62 91.87 50.26 -64.05 -41.00 0.54 0.00 99.46 0.10 0.03 0.27 99.52 0.07 0.00 0.00 0.00 71 R H H 126.90 2.76 15.17 18.29 92.00 50.00 -64.63 -41.03 0.55 0.00 99.45 0.11 0.04 0.27 99.52 0.06 0.00 0.00 0.00 72 Q H H 105.67 1.86 16.04 17.54 91.93 50.12 -64.54 -40.73 0.61 0.00 99.39 0.14 0.04 0.28 99.47 0.06 0.00 0.00 0.00 73 A H H 60.20 1.74 16.30 17.36 91.70 50.36 -64.25 -40.95 0.64 0.00 99.36 0.14 0.04 0.31 99.45 0.06 0.00 0.00 0.00 74 K H H 112.95 2.37 15.97 18.33 92.19 49.77 -64.63 -41.39 0.60 0.00 99.40 0.14 0.04 0.28 99.48 0.06 0.00 0.00 0.00 75 I H H 82.78 3.11 15.05 18.79 91.88 49.51 -64.65 -42.13 0.44 0.00 99.56 0.12 0.03 0.19 99.62 0.04 0.00 0.00 0.00 76 T H H 75.73 1.73 16.59 17.56 91.65 49.76 -64.04 -41.78 0.35 0.00 99.65 0.08 0.02 0.15 99.70 0.04 0.00 0.00 0.00 77 M H H 97.79 1.90 16.25 17.69 91.79 49.92 -64.11 -41.76 0.41 0.00 99.59 0.08 0.02 0.20 99.66 0.04 0.00 0.00 0.00 78 L H H 81.19 2.81 15.26 18.53 91.91 49.78 -64.17 -41.95 0.34 0.00 99.65 0.06 0.02 0.17 99.72 0.03 0.00 0.00 0.00 79 K H H 111.18 2.26 15.72 17.95 91.91 49.96 -64.17 -41.23 0.35 0.00 99.65 0.06 0.02 0.17 99.71 0.04 0.00 0.00 0.00 80 E H H 105.12 1.90 15.89 17.42 91.85 50.01 -64.62 -41.21 0.46 0.00 99.54 0.08 0.03 0.24 99.61 0.04 0.00 0.00 0.00 81 R H H 133.03 1.70 15.85 16.96 91.82 49.86 -64.75 -40.90 0.46 0.00 99.54 0.08 0.03 0.24 99.61 0.04 0.00 0.00 0.00 82 R H H 127.06 2.13 15.55 17.58 91.94 50.20 -64.71 -41.09 0.44 0.00 99.56 0.08 0.03 0.22 99.62 0.05 0.00 0.00 0.00 83 E H H 100.61 2.39 15.38 17.95 91.80 50.25 -64.15 -41.20 0.54 0.00 99.46 0.10 0.03 0.27 99.54 0.05 0.00 0.00 0.00 84 K H H 116.28 1.90 15.74 17.38 91.80 50.32 -64.34 -40.70 0.60 0.00 99.40 0.11 0.04 0.30 99.49 0.05 0.00 0.00 0.00 85 K H H 116.18 1.60 16.29 17.07 91.94 49.89 -64.68 -41.46 0.62 0.00 99.38 0.12 0.05 0.29 99.48 0.06 0.00 0.00 0.00 86 E H H 99.29 2.21 15.88 18.01 91.87 50.01 -64.53 -41.24 0.71 0.00 99.29 0.15 0.06 0.33 99.39 0.06 0.00 0.00 0.00 87 E H H 91.92 3.19 15.00 18.95 91.91 50.44 -64.14 -41.50 0.69 0.00 99.30 0.14 0.05 0.33 99.40 0.06 0.00 0.00 0.00 88 N H H 87.01 2.00 15.94 17.72 91.78 50.34 -64.61 -40.87 0.72 0.00 99.28 0.15 0.06 0.35 99.38 0.07 0.00 0.00 0.00 89 E H H 102.57 1.77 16.32 17.41 91.90 50.28 -64.48 -41.31 0.77 0.00 99.22 0.17 0.06 0.38 99.31 0.08 0.00 0.00 0.00 90 R H H 119.00 2.84 15.40 18.58 92.03 50.22 -64.43 -41.50 0.70 0.00 99.30 0.14 0.05 0.35 99.37 0.08 0.00 0.00 0.00 91 Y H H 118.68 3.42 14.66 18.91 92.01 50.33 -64.80 -40.77 0.65 0.00 99.35 0.14 0.05 0.31 99.41 0.09 0.00 0.00 0.00 92 E H H 110.59 1.79 15.84 17.25 91.88 50.81 -64.60 -40.84 0.66 0.00 99.33 0.14 0.04 0.32 99.40 0.10 0.00 0.00 0.00 93 R H H 139.50 1.63 16.02 16.99 92.21 49.87 -65.26 -40.86 0.76 0.00 99.24 0.15 0.06 0.39 99.28 0.13 0.00 0.00 0.00 94 L H H 81.45 3.45 14.51 18.84 92.25 49.93 -64.93 -40.75 0.98 0.00 99.01 0.20 0.09 0.51 98.99 0.20 0.00 0.00 0.00 95 A H H 54.60 3.48 13.69 18.44 92.16 50.99 -64.73 -39.82 2.08 0.01 97.91 0.45 0.19 1.17 97.73 0.44 0.00 0.00 0.00 96 A H H 64.88 2.15 14.34 16.74 92.59 52.06 -66.37 -37.72 6.97 0.03 92.99 1.35 0.65 4.48 92.51 0.98 0.01 0.01 0.01 97 K H H 133.82 1.80 14.26 15.95 93.98 51.30 -70.88 -34.28 14.80 0.08 85.12 3.83 1.77 8.61 84.27 1.44 0.01 0.03 0.04 98 M H H 97.08 4.54 11.75 17.66 97.86 53.34 -75.48 -30.62 37.37 0.29 62.34 19.35 5.88 10.91 61.97 1.63 0.01 0.10 0.16 99 H C H 105.95 3.40 12.95 17.37 105.41 54.06 -80.30 84.47 56.84 0.33 42.83 42.21 2.46 9.48 43.94 1.62 0.00 0.12 0.18 100 A H H 65.27 3.15 12.73 17.11 94.84 64.28 -63.88 -40.17 7.13 0.04 92.82 3.52 1.15 2.18 92.45 0.67 0.00 0.01 0.01 101 K H H 133.75 1.41 14.62 15.52 93.23 51.27 -66.41 -39.68 3.43 0.02 96.55 1.26 0.46 1.51 96.17 0.58 0.00 0.01 0.00 102 K H H 109.27 2.72 14.61 17.87 92.74 49.46 -66.31 -40.91 2.19 0.02 97.79 0.86 0.27 0.96 97.37 0.53 0.00 0.01 0.00 103 V H H 64.90 4.01 13.50 19.04 92.23 49.91 -64.91 -41.86 0.90 0.00 99.10 0.31 0.10 0.37 99.01 0.20 0.00 0.00 0.00 104 E H H 98.85 2.11 15.66 17.72 91.62 50.64 -63.81 -41.43 0.70 0.00 99.29 0.20 0.07 0.32 99.30 0.12 0.00 0.00 0.00 105 R H H 125.76 2.07 15.61 17.59 91.92 50.04 -64.56 -41.28 0.71 0.00 99.28 0.16 0.06 0.36 99.30 0.11 0.00 0.00 0.00 106 M H H 89.18 3.18 14.63 18.66 92.12 50.16 -64.68 -41.02 0.63 0.00 99.36 0.13 0.06 0.32 99.40 0.09 0.00 0.00 0.00 107 R H H 131.54 2.19 15.46 17.68 91.73 50.75 -64.47 -41.02 0.75 0.00 99.25 0.15 0.06 0.38 99.32 0.09 0.00 0.00 0.00 108 R H H 132.31 1.83 15.44 17.03 92.00 50.11 -64.89 -40.87 0.87 0.00 99.13 0.17 0.07 0.46 99.18 0.11 0.00 0.00 0.00 109 R H H 128.26 2.17 15.29 17.55 91.89 49.73 -65.08 -40.68 0.86 0.00 99.14 0.19 0.08 0.44 99.17 0.12 0.00 0.00 0.00 110 E H H 97.24 2.42 14.91 17.66 91.74 50.73 -64.52 -41.17 0.95 0.00 99.05 0.22 0.09 0.48 99.08 0.13 0.00 0.00 0.00 111 K H H 116.07 1.79 15.42 16.86 91.97 50.11 -64.61 -40.80 1.35 0.01 98.64 0.32 0.13 0.71 98.64 0.19 0.00 0.00 0.00 112 R H H 127.63 2.18 14.62 17.02 92.10 50.29 -65.03 -40.80 1.61 0.01 98.38 0.36 0.16 0.87 98.37 0.24 0.00 0.00 0.00 113 N H H 81.06 2.24 13.92 16.65 91.91 50.44 -64.87 -40.36 2.56 0.01 97.43 0.71 0.28 1.33 97.26 0.42 0.00 0.00 0.00 114 K H H 112.55 1.65 13.90 15.41 92.16 51.07 -64.87 -39.95 3.31 0.02 96.68 0.87 0.37 1.83 96.12 0.80 0.00 0.01 0.00 115 A H H 57.83 2.20 11.86 14.99 92.26 51.60 -65.75 -39.49 5.03 0.03 94.94 1.36 0.60 2.83 93.80 1.39 0.00 0.01 0.01 116 L H H 106.01 1.85 10.52 13.19 92.93 51.04 -67.81 -36.13 9.11 0.05 90.84 2.22 1.16 5.44 88.90 2.23 0.01 0.02 0.02 117 K H H 153.85 0.96 10.00 11.15 93.83 53.45 -70.98 -28.21 22.93 0.12 76.94 4.69 2.51 15.25 75.54 1.87 0.01 0.04 0.08 118 E C H 144.60 1.19 8.88 10.73 97.78 57.23 -80.44 -11.85 53.43 0.18 46.40 24.92 1.33 24.64 47.67 1.26 0.00 0.06 0.12 119 R C C 165.48 2.38 9.67 13.58 103.42 85.14 -79.24 59.29 99.95 0.01 0.04 99.80 0.06 0.10 0.03 0.00 0.00 0.00 0.00