# 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 104.40 7.46 14.03 22.56 118.48 -158.23 -97.63 138.82 99.84 0.14 0.02 99.79 0.08 0.03 0.01 0.00 0.00 0.06 0.02 1 A C C 61.14 7.87 11.59 20.73 115.39 -116.78 -77.68 143.02 92.07 6.44 1.50 91.18 0.77 1.18 0.57 0.49 0.00 3.51 2.30 2 L C C 94.43 7.41 11.98 20.82 112.88 -110.90 -79.06 137.08 85.51 11.67 2.82 68.71 11.46 4.75 0.87 2.06 0.00 7.97 4.18 3 R C C 142.97 6.28 12.88 20.84 116.49 -149.84 -99.16 127.86 81.53 16.12 2.35 61.33 15.33 4.19 0.79 1.77 0.00 8.91 7.69 4 Y C C 91.87 10.39 11.58 23.10 123.19 -162.81 -117.01 137.62 85.49 13.20 1.32 62.21 21.23 2.21 0.57 0.81 0.00 8.30 4.67 5 P C C 88.34 5.32 16.39 22.63 99.46 -124.41 -70.91 0.10 86.38 9.37 4.24 49.07 26.58 11.41 1.45 2.72 0.01 6.64 2.12 6 M C C 82.03 9.74 13.07 23.76 124.45 79.61 -115.55 144.18 74.52 18.55 6.93 49.47 15.84 8.88 3.05 4.04 0.07 10.88 7.77 7 A C C 46.42 10.42 12.72 24.29 114.60 -126.72 -88.52 132.83 72.84 20.78 6.37 57.08 9.09 5.46 2.98 3.67 0.02 14.14 7.56 8 V C C 81.84 7.55 13.39 22.27 118.84 -161.75 -114.12 136.73 67.94 23.02 9.05 34.52 19.30 15.63 3.63 5.32 0.20 13.27 8.13 9 G C S 41.20 5.28 14.42 20.83 120.16 19.55 93.70 -161.29 78.26 10.32 11.42 26.32 28.75 24.49 2.47 8.25 0.06 6.24 3.42 10 L C T 115.93 4.50 12.75 18.55 97.19 -28.88 -75.58 -19.30 78.37 4.68 16.95 15.81 24.81 38.54 3.09 13.05 0.05 2.65 2.01 11 N C T 98.08 5.27 11.29 17.98 102.06 58.57 -94.12 26.90 76.70 7.14 16.15 21.12 20.51 35.65 2.68 13.19 0.04 3.97 2.85 12 K C T 135.29 4.55 11.18 17.67 108.13 119.11 -71.70 119.06 79.15 8.37 12.47 17.16 17.08 45.09 2.57 9.88 0.05 5.07 3.10 13 G C T 53.57 3.37 13.58 18.14 99.48 14.26 84.55 0.36 84.38 9.07 6.55 21.03 21.23 43.02 1.30 5.09 0.01 6.56 1.76 14 H C C 89.68 8.62 10.61 20.60 116.98 123.70 -87.84 138.09 78.60 17.94 3.47 57.18 16.69 4.30 1.44 2.26 0.01 12.82 5.30 15 K C C 136.07 3.53 15.65 20.48 112.92 -117.30 -78.39 136.54 66.88 30.93 2.19 57.17 5.92 1.90 1.33 1.05 0.01 18.91 13.72 16 V C C 75.55 11.01 10.70 22.19 115.19 -138.53 -94.24 133.18 78.37 19.76 1.88 67.07 8.40 1.89 1.18 0.90 0.00 13.69 6.88 17 T C C 56.07 8.45 11.56 21.51 122.30 -150.23 -103.83 152.64 84.63 13.11 2.26 73.45 8.12 2.37 1.37 1.03 0.00 8.58 5.08 18 K C S 160.51 1.87 13.62 16.44 96.23 -128.59 -75.92 -19.93 91.74 3.64 4.62 27.05 42.78 22.51 2.00 2.27 0.00 2.26 1.12 19 N C C 90.22 4.79 11.36 17.75 107.53 66.61 -93.53 97.50 92.25 3.48 4.27 42.04 27.25 23.43 1.48 2.57 0.00 1.88 1.36 20 V C C 86.38 8.50 9.27 18.56 100.00 164.07 -82.73 -3.62 90.12 3.74 6.14 45.96 20.80 23.62 2.54 3.54 0.00 2.12 1.41 21 S C C 82.73 2.46 12.59 16.19 96.58 72.45 -81.85 -11.40 92.01 3.51 4.48 40.22 30.81 21.20 1.71 2.77 0.00 2.02 1.27 22 K C S 132.68 2.77 13.79 17.81 119.76 68.72 -101.35 140.14 95.06 2.92 2.02 43.80 49.95 1.63 1.46 0.59 0.00 1.41 1.15 23 P C C 72.25 8.83 11.27 21.46 114.87 -106.76 -65.16 146.86 93.42 3.54 3.04 85.17 5.99 2.09 1.82 1.11 0.00 1.76 2.08 24 R C C 94.50 9.49 11.62 22.38 114.98 -119.09 -79.96 144.59 90.45 3.14 6.41 81.08 6.70 2.41 3.92 2.20 0.00 1.12 2.56 25 H H G 118.80 4.69 14.55 20.52 96.14 -114.06 -65.55 -26.75 46.95 1.70 51.35 19.20 9.80 18.33 17.46 33.45 0.03 0.85 0.87 26 S H G 50.33 9.04 12.04 22.31 96.31 62.45 -72.23 -19.21 40.57 1.02 58.41 12.38 7.82 19.94 19.51 39.28 0.03 0.53 0.51 27 R H G 123.40 7.54 13.39 22.10 96.54 64.19 -81.62 -6.17 37.73 1.28 60.98 13.78 7.93 16.07 21.94 39.00 0.03 0.68 0.59 28 R C G 126.29 7.07 12.84 21.20 102.29 73.38 -88.85 13.51 52.44 2.51 45.05 22.60 11.64 18.78 20.51 23.80 0.09 1.18 1.41 29 R C T 147.21 4.60 13.22 19.32 109.09 88.13 -91.83 91.08 71.88 3.44 24.69 25.51 17.77 29.59 13.53 10.00 0.08 1.57 1.95 30 G C C 40.72 6.26 13.14 20.62 118.48 -28.02 90.53 1.76 87.51 2.41 10.08 32.94 28.31 26.96 3.53 5.85 0.00 1.23 1.17 31 R C C 155.20 3.63 14.54 19.50 116.11 -61.02 -89.75 133.45 88.98 5.03 5.99 69.66 12.63 6.20 2.60 3.37 0.00 2.52 3.01 32 L C C 79.89 11.34 10.36 22.13 111.71 -123.70 -80.69 129.47 91.32 5.36 3.32 78.95 9.32 2.53 1.89 1.37 0.00 2.45 3.49 33 T C C 61.06 6.38 12.36 20.32 121.82 -142.69 -96.01 159.85 93.46 3.76 2.78 82.30 8.84 1.92 1.90 0.86 0.00 1.43 2.75 34 K C T 159.48 1.83 13.47 16.08 92.79 -105.50 -64.23 -27.46 64.32 0.60 35.09 6.96 15.98 41.41 22.51 12.31 0.07 0.27 0.48 35 H C T 123.07 4.18 12.81 18.03 98.00 56.27 -82.25 -12.15 66.29 0.83 32.88 9.61 13.53 42.99 21.99 10.87 0.06 0.39 0.56 36 T C C 42.23 10.96 10.47 22.26 102.73 61.84 -88.32 13.04 56.47 1.70 41.83 38.75 8.47 9.74 32.92 8.43 0.01 0.71 0.99 37 K H H 120.86 4.33 14.62 20.42 93.80 102.11 -63.41 -38.85 10.28 0.19 89.53 5.37 1.84 3.40 87.69 1.54 0.01 0.08 0.07 38 F H H 125.89 2.33 17.34 19.46 92.44 52.32 -65.46 -40.75 4.49 0.09 95.41 1.52 0.66 2.38 93.85 1.50 0.01 0.06 0.02 39 V H H 44.98 10.77 16.03 27.72 92.45 48.87 -65.91 -41.50 1.83 0.05 98.12 0.61 0.26 0.99 96.85 1.25 0.00 0.03 0.01 40 R H H 70.93 13.72 15.80 29.60 91.88 51.66 -63.64 -41.12 1.43 0.02 98.55 0.35 0.19 0.87 97.59 0.98 0.00 0.01 0.00 41 D H H 72.39 3.97 19.73 24.01 91.98 50.89 -64.72 -40.13 3.16 0.04 96.81 0.52 0.30 2.32 95.81 1.01 0.01 0.02 0.01 42 M H H 75.85 6.01 19.35 26.09 92.35 50.65 -65.67 -41.36 6.06 0.06 93.89 0.67 0.66 4.88 92.64 1.07 0.04 0.03 0.02 43 I H H 26.35 16.40 15.20 32.04 92.75 49.74 -65.64 -41.83 7.68 0.14 92.18 1.29 1.27 5.44 90.69 1.13 0.06 0.06 0.06 44 R H H 103.21 10.72 16.90 27.85 92.34 52.08 -64.53 -39.75 7.95 0.14 91.91 1.55 1.03 5.58 89.22 2.44 0.06 0.07 0.05 45 E H H 123.31 2.91 19.01 22.16 93.99 47.69 -70.65 -35.74 10.58 0.15 89.28 1.16 1.14 8.72 86.12 2.60 0.12 0.07 0.06 46 V H H 68.30 8.68 17.38 26.51 101.12 36.64 -89.40 -37.75 21.89 0.22 77.88 1.31 2.68 18.58 74.62 2.26 0.32 0.08 0.14 47 C H H 41.22 13.25 15.48 28.90 102.90 24.12 -103.01 -13.35 43.23 0.56 56.21 4.35 9.96 29.31 53.69 1.93 0.19 0.17 0.40 48 G C C 34.10 7.17 18.84 26.92 101.05 -118.99 80.55 -0.52 94.43 1.00 4.57 34.73 34.10 25.82 2.46 1.89 0.00 0.43 0.56 49 F C C 66.70 13.82 16.02 29.89 117.25 74.54 -100.00 132.99 90.67 2.58 6.75 59.85 22.01 8.38 4.60 2.11 0.00 0.92 2.13 50 A C C 26.75 12.08 17.32 30.47 115.94 -127.06 -75.91 155.61 74.57 0.39 25.04 60.08 9.56 2.85 26.23 0.92 0.00 0.12 0.23 51 P H H 61.99 8.63 19.68 29.16 93.05 -107.16 -60.32 -36.34 12.98 0.09 86.93 3.74 2.24 7.18 84.87 1.86 0.02 0.03 0.05 52 Y H H 73.96 13.90 19.71 33.22 92.75 52.15 -65.66 -38.84 7.13 0.06 92.81 1.61 0.95 4.61 90.79 1.96 0.02 0.02 0.03 53 E H H 50.57 15.77 19.04 34.22 92.88 50.31 -66.04 -40.13 2.96 0.02 97.02 0.94 0.37 1.55 95.73 1.39 0.00 0.01 0.01 54 R H H 106.81 7.92 22.43 30.62 92.01 51.16 -65.10 -41.60 1.12 0.01 98.88 0.30 0.11 0.57 98.48 0.53 0.00 0.00 0.00 55 R H H 93.38 8.89 23.04 32.03 92.10 49.69 -65.26 -40.86 1.15 0.01 98.85 0.21 0.09 0.71 98.46 0.53 0.00 0.00 0.00 56 A H H 8.67 19.48 18.25 37.95 92.15 51.07 -64.44 -41.69 1.19 0.00 98.80 0.16 0.07 0.78 98.49 0.49 0.00 0.00 0.00 57 M H H 53.24 11.89 21.31 33.54 91.59 51.72 -63.06 -41.60 0.68 0.00 99.32 0.08 0.04 0.45 98.88 0.53 0.00 0.00 0.00 58 E H H 83.35 4.55 23.36 27.86 91.47 51.11 -64.10 -41.40 0.94 0.00 99.06 0.08 0.05 0.72 98.23 0.92 0.00 0.00 0.00 59 L H H 31.18 13.23 18.09 32.28 91.64 51.00 -64.62 -40.57 1.19 0.00 98.80 0.08 0.06 0.94 97.14 1.77 0.00 0.00 0.00 60 L H H 30.45 16.60 14.81 31.56 91.65 52.71 -65.76 -36.12 3.92 0.01 96.07 0.28 0.25 3.26 93.22 2.97 0.01 0.00 0.00 61 K H H 134.83 3.17 19.10 22.92 92.69 51.48 -70.58 -32.36 16.56 0.03 83.41 0.61 0.86 15.24 81.14 2.11 0.02 0.01 0.02 62 V H H 87.61 4.28 16.60 21.41 100.10 36.44 -96.70 -22.43 35.01 0.19 64.80 2.48 5.46 26.91 63.20 1.66 0.09 0.05 0.15 63 S C C 34.61 13.82 9.91 23.64 120.07 67.69 -103.40 146.69 88.26 0.78 10.97 49.77 17.20 20.86 9.40 1.86 0.00 0.26 0.65 64 K C C 169.02 1.28 16.78 17.78 95.78 -140.86 -68.64 1.08 96.83 0.48 2.69 41.58 36.95 18.49 1.28 1.19 0.00 0.19 0.32 65 D C C 52.87 10.38 11.15 23.05 108.32 121.44 -85.44 111.36 96.40 0.64 2.96 80.96 12.68 2.68 2.16 0.76 0.00 0.20 0.56 66 K H H 136.37 4.09 15.57 21.69 93.81 -168.82 -66.40 -29.85 10.67 0.06 89.28 4.24 2.40 3.77 88.60 0.94 0.00 0.02 0.03 67 R H H 129.49 3.38 19.48 22.90 91.71 58.73 -64.86 -40.25 2.72 0.01 97.27 0.56 0.33 1.65 96.63 0.82 0.01 0.00 0.00 68 A H H 11.26 15.68 15.36 32.23 91.93 50.44 -64.04 -42.29 1.09 0.01 98.91 0.29 0.11 0.58 98.00 1.01 0.00 0.00 0.00 69 L H H 28.25 15.58 16.20 32.25 91.63 51.60 -63.21 -41.76 0.47 0.00 99.53 0.11 0.04 0.24 99.05 0.56 0.00 0.00 0.00 70 K H H 112.03 2.54 23.16 24.69 91.65 50.68 -64.09 -41.82 0.47 0.00 99.53 0.07 0.03 0.29 99.32 0.29 0.00 0.00 0.00 71 F H H 64.72 7.30 20.32 28.63 91.72 49.70 -64.38 -42.60 0.78 0.00 99.21 0.08 0.05 0.56 98.96 0.35 0.00 0.00 0.00 72 I H H 10.54 19.77 13.96 34.25 91.53 49.57 -64.08 -42.46 1.21 0.01 98.79 0.14 0.11 0.82 98.72 0.20 0.00 0.00 0.00 73 K H H 88.00 10.19 15.96 26.80 91.78 51.93 -63.56 -39.22 1.65 0.00 98.35 0.18 0.13 1.11 98.26 0.31 0.00 0.00 0.00 74 K H H 152.47 1.15 18.82 18.60 92.22 50.55 -67.20 -36.62 3.26 0.01 96.73 0.15 0.16 2.83 96.30 0.55 0.00 0.00 0.00 75 R H H 122.44 6.16 16.53 23.53 98.96 37.92 -84.72 -36.54 7.11 0.01 92.88 0.18 0.39 6.57 92.32 0.50 0.02 0.00 0.01 76 V H H 45.79 12.44 12.12 25.09 103.67 26.44 -105.12 -17.33 17.23 0.09 82.67 1.41 3.38 11.67 83.01 0.39 0.05 0.02 0.07 77 G C C 48.00 2.66 17.04 20.15 101.79 -128.00 78.84 -7.24 99.00 0.31 0.70 48.10 44.44 6.55 0.34 0.26 0.00 0.11 0.20 78 T C S 61.20 3.59 17.27 21.45 132.84 26.83 -136.51 162.63 97.00 1.19 1.81 46.12 49.21 1.50 1.57 0.28 0.00 0.24 1.08 79 H H H 105.74 9.12 13.09 23.29 92.23 -111.79 -62.02 -35.87 8.99 0.06 90.96 2.06 4.32 2.88 90.21 0.47 0.01 0.01 0.03 80 I H H 112.51 1.63 18.99 19.44 91.90 53.20 -63.73 -42.44 2.27 0.00 97.72 0.29 0.29 1.44 97.59 0.38 0.00 0.00 0.00 81 R H H 94.62 5.37 18.31 24.65 91.88 47.45 -65.72 -39.99 0.86 0.00 99.14 0.16 0.08 0.51 98.82 0.43 0.00 0.00 0.00 82 A H H 7.51 17.12 12.35 30.63 91.09 52.37 -62.59 -42.77 0.35 0.00 99.65 0.07 0.03 0.18 99.55 0.17 0.00 0.00 0.00 83 K H H 104.99 4.40 20.68 25.41 91.51 50.58 -64.00 -41.27 0.28 0.00 99.72 0.04 0.02 0.15 99.72 0.07 0.00 0.00 0.00 84 R H H 129.65 2.01 21.82 22.33 91.60 49.67 -64.38 -41.63 0.21 0.00 99.79 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 85 K H H 61.69 12.15 17.69 30.32 92.34 49.62 -65.53 -40.66 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 86 R H H 85.73 13.15 17.43 30.45 91.68 52.05 -63.21 -41.50 0.15 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 87 E H H 112.53 1.95 22.22 22.58 91.64 49.85 -64.02 -41.61 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 88 E H H 93.69 4.29 21.20 25.61 91.71 49.19 -64.99 -41.37 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.04 0.00 0.00 0.00 89 L H H 27.93 15.45 16.19 32.33 91.84 49.73 -64.54 -41.07 0.44 0.00 99.56 0.04 0.02 0.29 99.59 0.07 0.00 0.00 0.00 90 S H H 50.02 6.23 19.99 27.00 91.54 51.67 -63.56 -40.40 0.63 0.00 99.37 0.07 0.03 0.40 99.44 0.07 0.00 0.00 0.00 91 S H H 63.29 2.61 21.73 23.25 92.08 50.17 -65.68 -40.37 0.55 0.00 99.45 0.07 0.03 0.33 99.52 0.05 0.00 0.00 0.00 92 V H H 47.89 9.21 18.69 29.00 92.13 50.11 -64.72 -42.78 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 93 L H H 53.68 9.38 18.25 28.76 91.65 49.40 -64.05 -41.80 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 94 A H H 51.72 3.17 19.89 22.95 91.50 50.38 -63.46 -41.87 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 95 A H H 47.07 4.36 18.19 23.42 91.93 50.46 -64.32 -41.51 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 96 M H H 76.74 8.11 16.79 26.01 92.18 50.09 -64.85 -40.88 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 97 R H H 130.58 3.37 17.63 21.64 91.67 50.42 -63.85 -41.07 0.24 0.00 99.76 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 98 K H H 120.38 1.80 17.93 18.80 91.92 49.51 -64.86 -41.30 0.49 0.00 99.51 0.06 0.03 0.29 99.54 0.07 0.00 0.00 0.00 99 A H H 42.43 4.12 14.47 20.28 91.69 50.35 -64.24 -41.11 1.06 0.00 98.94 0.14 0.07 0.66 98.94 0.19 0.00 0.00 0.00 100 A H H 46.53 4.42 12.92 19.14 91.99 51.05 -64.18 -39.60 3.50 0.01 96.50 0.42 0.26 2.40 96.46 0.45 0.00 0.00 0.00 101 A H H 69.62 1.96 12.32 14.84 92.46 51.98 -66.70 -35.89 12.79 0.04 87.17 1.70 1.15 9.21 86.90 1.00 0.01 0.01 0.02 102 K H H 152.05 1.14 11.11 12.44 94.15 53.14 -71.89 -26.79 33.80 0.27 65.92 7.47 4.63 21.79 64.35 1.46 0.02 0.09 0.17 103 K C H 144.82 2.18 8.96 12.54 99.57 58.23 -81.62 -6.18 61.02 0.35 38.63 30.84 2.09 25.62 39.78 1.34 0.00 0.12 0.22 104 D C C 114.62 2.14 11.28 14.68 104.10 -135.46 -78.33 64.64 99.92 0.02 0.06 99.69 0.10 0.15 0.04 0.00 0.00 0.01 0.00