# 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 R C C 115.44 7.98 21.61 29.88 121.18 -155.41 -108.20 132.51 95.44 4.56 0.00 95.38 0.12 0.01 0.00 0.00 0.00 4.44 0.04 1 I E E 19.60 21.22 14.25 35.28 122.14 -165.84 -115.04 130.60 8.32 91.68 0.00 8.69 0.07 0.00 0.00 0.00 0.00 91.04 0.19 2 R E E 97.03 7.78 23.37 31.65 120.02 -162.37 -114.40 127.64 1.80 98.19 0.00 1.74 0.04 0.00 0.00 0.00 0.00 98.19 0.03 3 I E E 11.40 23.27 15.91 39.36 120.48 -165.56 -113.76 127.90 0.71 99.29 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.26 0.01 4 R E E 92.08 8.58 25.71 34.64 117.78 -162.61 -111.47 126.08 0.61 99.39 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 5 L E E 6.54 24.92 16.41 41.76 124.89 -171.73 -119.26 135.69 1.46 98.54 0.00 1.47 0.02 0.00 0.00 0.00 0.00 98.48 0.02 6 K E E 88.60 8.14 26.38 35.02 123.74 -165.01 -116.73 136.67 4.90 95.09 0.01 4.62 0.18 0.01 0.00 0.00 0.00 95.05 0.13 7 A E E 9.37 21.53 13.83 35.24 136.66 168.35 -142.25 157.88 30.49 69.45 0.06 29.49 0.92 0.09 0.01 0.04 0.00 68.32 1.12 8 F C S 116.38 6.54 20.63 27.94 94.52 -135.53 -77.36 -24.54 98.91 1.05 0.03 6.34 92.28 0.53 0.00 0.01 0.00 0.77 0.07 9 D C C 62.43 7.62 18.24 27.04 114.48 56.39 -115.58 110.08 98.90 0.99 0.11 69.32 29.40 0.38 0.06 0.04 0.00 0.40 0.41 10 H H H 96.58 11.78 14.27 26.76 93.15 -162.92 -62.90 -34.65 2.30 0.00 97.70 0.33 0.33 1.45 97.17 0.72 0.00 0.00 0.00 11 R H H 158.38 1.54 20.88 21.35 91.78 55.83 -64.01 -40.25 1.24 0.00 98.76 0.12 0.10 0.93 98.10 0.75 0.00 0.00 0.00 12 L H H 38.45 11.73 18.10 30.90 92.08 48.55 -65.45 -41.27 0.46 0.00 99.54 0.08 0.04 0.27 98.93 0.67 0.00 0.00 0.00 13 I H H 7.07 23.86 14.51 38.43 91.25 51.56 -62.80 -43.45 0.17 0.00 99.83 0.03 0.01 0.08 99.80 0.08 0.00 0.00 0.00 14 D H H 74.53 7.11 23.13 30.49 91.45 50.24 -63.83 -41.65 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 15 Q H H 97.87 2.96 25.66 27.78 91.74 49.34 -64.70 -41.70 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 16 A H H 6.46 20.01 19.94 40.14 91.60 49.59 -63.86 -42.90 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 17 T H H 14.68 20.85 20.70 40.83 91.45 51.17 -62.74 -42.30 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 18 A H H 55.24 4.11 25.69 29.53 91.56 51.20 -63.80 -41.92 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 19 E H H 73.34 8.61 24.70 33.61 91.63 49.46 -64.94 -41.94 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.01 0.00 0.00 0.00 20 I H H 2.52 26.25 19.72 46.14 91.44 49.14 -63.67 -43.67 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 21 V H H 33.03 15.63 22.04 37.33 91.48 49.75 -63.11 -42.82 0.18 0.00 99.82 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 22 E H H 104.41 2.31 26.27 27.01 91.60 50.15 -63.66 -42.09 0.38 0.00 99.62 0.06 0.02 0.20 99.69 0.03 0.00 0.00 0.00 23 T H H 19.58 13.59 20.60 35.07 91.94 49.52 -64.47 -42.36 0.66 0.00 99.34 0.05 0.04 0.44 99.38 0.08 0.00 0.00 0.00 24 A H H 4.35 23.41 14.46 38.03 91.38 51.38 -63.53 -42.11 1.16 0.00 98.84 0.15 0.08 0.75 98.73 0.28 0.00 0.00 0.00 25 K H H 132.07 4.23 19.42 24.92 91.39 50.55 -63.35 -39.92 2.25 0.01 97.74 0.28 0.13 1.69 96.80 1.09 0.00 0.01 0.00 26 R H H 159.68 2.37 19.28 21.79 91.05 53.44 -66.18 -29.95 9.15 0.02 90.83 0.29 0.35 8.62 89.79 0.93 0.02 0.01 0.01 27 T C T 44.51 13.52 14.08 28.13 94.49 47.74 -91.94 -0.46 63.25 0.06 36.69 0.52 1.51 60.39 36.27 1.23 0.01 0.02 0.05 28 G C T 53.46 2.01 21.43 22.61 97.12 -105.00 87.55 11.29 99.81 0.03 0.17 3.63 2.02 94.23 0.06 0.04 0.00 0.01 0.00 29 A C C 13.27 21.84 9.53 30.47 120.29 142.38 -84.61 147.77 97.96 2.01 0.02 96.35 1.63 0.10 0.00 0.01 0.00 1.81 0.09 30 Q E E 117.15 2.88 24.33 26.87 110.95 -128.40 -89.68 121.87 26.35 73.57 0.08 25.32 0.92 0.12 0.02 0.05 0.00 72.72 0.84 31 V E E 32.22 22.58 10.93 32.22 119.57 -161.61 -107.84 129.35 8.50 91.46 0.03 8.48 0.21 0.02 0.02 0.02 0.00 88.09 3.16 32 R E E 140.69 4.07 20.18 25.00 115.73 -171.60 -111.07 128.76 24.49 75.47 0.04 19.82 4.29 0.22 0.01 0.03 0.00 74.76 0.87 33 G C E 32.93 4.92 20.00 25.49 132.11 -32.82 111.95 -175.56 55.07 44.91 0.02 19.47 34.25 0.50 0.00 0.02 0.00 45.49 0.27 34 P C C 67.55 12.23 15.87 28.21 115.22 -55.01 -70.31 145.95 64.76 35.21 0.02 57.25 5.59 0.17 0.00 0.03 0.00 36.35 0.61 35 I E E 36.82 15.74 15.00 31.48 118.37 -154.38 -112.13 125.48 27.91 72.07 0.02 25.96 1.41 0.04 0.01 0.01 0.00 65.15 7.42 36 P E E 82.82 5.01 22.19 27.79 114.56 -116.65 -68.32 143.05 40.55 59.44 0.01 39.62 1.06 0.04 0.00 0.01 0.00 55.98 3.29 37 L C C 37.63 20.67 11.75 31.45 116.37 -119.42 -84.47 136.63 92.75 7.24 0.01 90.65 2.64 0.05 0.00 0.01 0.00 6.10 0.54 38 P C C 50.97 9.05 16.95 27.41 114.06 -105.07 -66.05 148.49 94.93 4.99 0.08 91.83 3.04 0.30 0.01 0.06 0.00 4.25 0.51 39 T C C 91.47 6.49 14.94 22.98 101.95 -150.43 -91.87 -11.08 79.73 20.04 0.23 49.57 29.18 1.11 0.03 0.24 0.00 18.82 1.04 40 R E E 122.87 4.80 16.34 22.52 126.06 70.84 -118.55 144.52 27.58 72.22 0.20 20.91 6.51 0.54 0.03 0.17 0.00 71.18 0.66 41 K E E 112.03 10.11 12.67 24.00 124.80 -159.02 -120.36 138.38 7.78 92.11 0.10 7.17 0.50 0.08 0.02 0.05 0.00 91.97 0.21 42 E E E 80.24 8.20 15.21 25.00 127.40 -171.47 -127.13 142.85 1.85 98.11 0.03 1.67 0.12 0.02 0.01 0.01 0.00 98.10 0.07 43 R E E 137.10 6.40 15.04 23.35 119.93 -146.70 -107.92 132.89 1.59 98.37 0.04 1.39 0.09 0.02 0.01 0.02 0.00 98.43 0.04 44 F E E 54.41 12.42 13.25 27.00 129.16 -175.11 -129.04 148.59 2.70 97.22 0.08 2.50 0.13 0.03 0.02 0.04 0.00 97.22 0.06 45 T E E 68.23 7.17 17.16 25.67 119.46 -136.81 -107.03 133.58 4.52 95.40 0.07 4.33 0.18 0.04 0.02 0.04 0.00 95.19 0.20 46 V E E 35.16 13.78 13.55 28.51 120.48 -162.02 -114.29 130.62 14.64 85.18 0.18 13.21 1.15 0.18 0.07 0.09 0.00 84.42 0.87 47 L E E 81.51 6.54 16.14 24.19 111.93 -134.15 -86.03 125.42 45.22 54.52 0.26 36.49 7.48 0.80 0.08 0.19 0.00 53.90 1.06 48 I C C 72.69 9.92 12.49 23.59 107.28 -172.26 -100.56 27.35 71.53 28.15 0.32 51.66 18.38 1.62 0.08 0.28 0.00 25.95 2.03 49 S C C 44.17 5.83 12.92 20.58 124.26 17.07 -119.53 148.72 86.24 13.35 0.41 67.31 16.94 1.99 0.13 0.35 0.00 9.75 3.53 50 P C T 102.53 3.64 11.20 16.51 93.36 -113.95 -64.18 -20.92 95.05 0.48 4.47 3.84 18.26 73.13 0.63 3.63 0.00 0.29 0.22 51 H C T 153.58 1.25 11.76 13.12 97.86 56.60 -87.66 -5.73 94.51 0.95 4.54 5.42 17.68 71.51 0.78 3.62 0.00 0.63 0.35 52 V C S 76.25 7.12 8.49 16.96 112.50 74.31 -96.20 112.25 78.10 14.82 7.08 31.86 33.84 13.20 2.07 4.67 0.04 7.86 6.48 53 N C C 89.71 4.66 11.05 17.21 111.30 -114.81 -93.73 114.16 87.35 7.25 5.40 71.59 8.95 6.43 2.18 3.34 0.00 5.60 1.90 54 K C T 148.60 3.21 11.04 16.12 96.16 -152.46 -69.16 -21.54 69.07 4.49 26.44 13.29 12.10 44.39 5.14 20.65 0.06 3.07 1.31 55 D C T 114.06 1.66 13.95 15.79 96.72 61.60 -82.36 -6.48 68.95 4.73 26.33 14.61 11.26 43.92 5.13 20.46 0.04 3.40 1.19 56 A C C 37.88 10.67 9.59 21.45 106.25 95.94 -81.30 72.39 62.89 9.24 27.87 40.83 12.36 10.79 5.19 22.29 0.02 6.93 1.58 57 R C C 120.10 8.31 13.09 22.36 111.84 92.36 -89.84 124.55 61.28 22.44 16.28 41.30 11.92 8.98 4.41 11.78 0.06 18.92 2.63 58 D C C 86.43 6.70 14.69 22.46 109.22 -148.42 -93.80 82.70 56.06 33.46 10.47 38.13 12.05 7.11 1.82 7.86 0.01 31.91 1.13 59 Q E E 95.90 7.20 15.21 23.63 119.66 -155.24 -106.50 135.58 35.92 61.43 2.65 27.68 5.95 2.17 0.56 1.89 0.00 61.11 0.65 60 Y E E 76.34 14.52 11.78 26.36 130.25 -170.41 -128.91 149.83 8.29 91.62 0.10 7.45 0.55 0.09 0.03 0.04 0.00 91.65 0.20 61 E E E 95.40 6.13 18.25 25.54 123.15 -150.94 -116.00 138.31 1.05 98.93 0.01 0.93 0.04 0.01 0.00 0.00 0.00 98.98 0.03 62 I E E 62.71 14.67 13.93 28.72 120.34 -154.12 -109.25 131.50 0.76 99.24 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.27 0.01 63 R E E 91.01 9.15 18.15 28.37 122.37 -169.44 -118.41 135.36 0.98 99.02 0.01 0.89 0.03 0.00 0.00 0.00 0.00 99.06 0.01 64 T E E 56.17 12.01 17.04 29.65 121.57 -157.51 -112.10 133.45 2.30 97.69 0.01 2.02 0.14 0.01 0.00 0.00 0.00 97.80 0.03 65 H E E 45.80 13.57 17.08 31.58 126.65 -172.63 -124.75 141.12 4.16 95.83 0.01 3.66 0.34 0.03 0.00 0.01 0.00 95.89 0.07 66 L E E 70.99 10.89 20.29 31.45 121.25 -150.24 -108.47 137.30 6.65 93.34 0.01 6.13 0.27 0.01 0.00 0.00 0.00 93.51 0.07 67 R E E 41.01 18.23 17.40 35.34 126.76 -168.14 -123.01 138.95 3.96 96.03 0.01 3.67 0.17 0.01 0.00 0.00 0.00 96.10 0.05 68 L E E 48.09 10.73 23.39 34.88 118.19 -150.60 -108.05 128.63 1.03 98.97 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.02 0.02 69 V E E 7.26 23.50 17.37 41.31 120.33 -164.92 -114.04 128.95 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 70 D E E 51.81 8.99 26.02 35.60 116.15 -157.39 -105.54 123.54 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 71 I E E 11.69 22.78 16.01 39.21 114.69 -160.39 -103.06 121.63 4.73 95.25 0.01 4.68 0.10 0.01 0.00 0.00 0.00 94.95 0.26 72 V E E 53.37 8.98 20.84 30.63 120.89 -167.42 -107.96 143.34 39.08 60.88 0.04 20.75 18.15 0.59 0.00 0.04 0.00 59.97 0.50 73 E C S 127.82 3.78 22.68 26.71 95.38 3.06 56.89 54.77 88.78 11.21 0.02 12.48 74.80 0.80 0.00 0.01 0.00 11.73 0.18 74 P C C 18.45 22.62 9.74 31.40 117.45 -157.49 -70.99 146.07 94.68 5.25 0.07 91.65 3.23 0.22 0.02 0.04 0.00 4.27 0.57 75 T C C 59.92 4.60 20.42 25.11 123.27 -130.70 -85.63 165.98 98.37 1.34 0.29 97.32 1.14 0.15 0.19 0.04 0.00 0.48 0.67 76 E H H 136.08 4.00 15.14 20.95 91.16 -100.81 -59.33 -37.19 2.59 0.00 97.41 0.28 0.43 1.71 97.09 0.49 0.00 0.00 0.00 77 K H H 136.37 1.73 19.09 20.11 91.62 52.53 -64.97 -39.88 1.53 0.00 98.47 0.13 0.13 1.16 98.00 0.58 0.00 0.00 0.00 78 T H H 19.77 16.69 15.63 32.55 92.48 47.93 -66.05 -41.99 0.60 0.00 99.40 0.09 0.05 0.39 98.95 0.52 0.00 0.00 0.00 79 V H H 16.27 18.83 15.64 34.58 91.39 50.69 -62.74 -43.14 0.17 0.00 99.83 0.03 0.01 0.10 99.65 0.22 0.00 0.00 0.00 80 D H H 79.56 2.96 22.37 24.63 91.46 50.60 -63.63 -40.34 0.41 0.00 99.59 0.04 0.02 0.29 99.23 0.43 0.00 0.00 0.00 81 A H H 31.30 8.07 18.93 28.60 91.71 51.66 -64.27 -41.32 1.00 0.00 99.00 0.06 0.04 0.80 98.07 1.03 0.00 0.00 0.00 82 L H H 13.34 22.46 14.77 36.81 92.32 51.79 -66.17 -37.27 2.82 0.01 97.17 0.18 0.14 2.35 95.29 2.03 0.00 0.00 0.00 83 M H H 81.22 12.17 17.08 29.33 91.40 57.97 -68.62 -23.64 29.30 0.11 70.59 1.41 1.24 26.61 67.69 2.88 0.05 0.05 0.07 84 R C T 173.13 1.49 19.82 20.30 94.65 56.59 -84.19 -9.83 63.69 0.30 36.01 4.58 3.01 54.09 34.80 3.21 0.02 0.14 0.16 85 L C C 49.88 16.02 10.59 26.32 116.69 98.74 -80.88 140.98 87.39 2.41 10.20 41.48 36.41 8.92 9.24 1.78 0.02 1.08 1.07 86 D C C 112.84 2.34 20.01 22.58 108.00 -127.28 -84.70 110.51 85.01 8.09 6.90 72.87 4.62 6.98 5.08 1.97 0.00 5.88 2.61 87 L C C 41.87 20.22 10.83 29.44 121.74 175.36 -108.78 137.09 78.41 16.35 5.24 68.50 6.24 2.43 3.87 1.69 0.00 9.08 8.18 88 A C C 47.49 8.06 17.24 26.24 116.23 -112.38 -71.89 152.59 89.79 5.94 4.26 82.47 4.20 3.22 2.46 1.63 0.00 3.76 2.28 89 A C T 77.56 4.99 15.83 22.29 111.31 -89.30 -63.86 138.40 94.27 2.81 2.92 3.52 9.21 81.98 0.63 1.94 0.01 1.88 0.84 90 G C T 49.34 3.59 18.02 22.46 96.56 22.17 86.07 -4.08 96.19 2.58 1.23 4.93 8.42 82.92 0.15 1.01 0.00 2.31 0.26 91 V C C 27.30 18.89 10.65 29.36 120.05 120.50 -95.90 134.72 66.56 33.25 0.19 60.02 4.91 0.41 0.04 0.15 0.00 33.54 0.92 92 D E E 90.32 4.04 22.68 27.09 114.10 -146.56 -98.95 125.90 18.29 81.63 0.09 17.45 0.62 0.12 0.02 0.05 0.00 81.29 0.46 93 V E E 26.76 22.45 11.69 33.31 124.61 -171.46 -122.61 136.32 9.07 90.91 0.02 8.96 0.15 0.01 0.00 0.00 0.00 90.73 0.13 94 Q E E 98.67 4.42 23.20 28.16 122.61 -167.75 -120.02 135.62 4.51 95.48 0.01 4.48 0.08 0.01 0.00 0.00 0.00 95.33 0.09 95 I E E 44.47 19.70 11.92 30.78 121.38 -162.71 -115.50 130.33 7.23 92.76 0.01 7.26 0.13 0.01 0.00 0.00 0.00 92.36 0.23 96 S E E 60.67 4.63 17.85 23.64 125.15 -172.27 -122.39 143.90 17.90 82.08 0.02 17.91 0.20 0.03 0.01 0.01 0.00 81.24 0.60 97 L C C 86.68 11.12 13.47 25.01 115.87 -139.98 -97.41 129.40 97.48 2.52 0.00 97.55 0.06 0.01 0.00 0.00 0.00 2.36 0.02