#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brs s LYS 2 N 0.00 3.11 -0.09 1.64 2.47 -1.26 -0.16 119.74 125.44 1brs s LYS 2 Ca 0.00 -0.84 0.04 0.00 -1.56 0.00 0.00 55.97 53.61 1brs s LYS 2 Cb 0.00 -2.37 0.00 0.00 -1.46 0.00 0.00 37.83 34.00 1brs s LYS 2 CO 0.00 0.19 -0.23 0.00 0.16 0.00 0.00 175.35 175.47 1brs s ALA 3 N 0.33 2.08 -0.09 3.13 0.00 -0.04 -4.96 121.76 122.20 1brs s ALA 3 Ca -0.17 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1brs s ALA 3 Cb -0.17 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1brs s ALA 3 CO 0.08 0.28 -0.24 0.08 0.00 0.00 0.00 175.76 175.96 1brs s VAL 4 N 0.33 2.06 -0.25 0.00 1.01 -1.26 -0.45 120.40 121.84 1brs s VAL 4 Ca -0.17 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1brs s VAL 4 Cb -0.17 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1brs s VAL 4 CO 0.08 0.56 -0.02 -0.63 0.00 0.00 0.00 175.10 175.09 1brs s ILE 5 N 0.26 3.28 -0.91 2.22 1.01 0.53 -4.97 121.20 122.62 1brs s ILE 5 Ca -0.16 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 1brs s ILE 5 Cb -0.17 -2.62 0.13 0.00 0.01 0.00 0.00 42.46 39.80 1brs s ILE 5 CO 0.08 0.23 1.10 0.20 0.00 0.00 0.00 174.94 176.55 1brs s ASN 6 N 1.41 6.60 0.50 3.58 -0.87 -1.26 -1.01 114.94 123.89 1brs s ASN 6 Ca 0.02 -1.99 0.32 0.00 -1.57 0.00 0.00 52.86 49.64 1brs s ASN 6 Cb -0.16 -2.39 1.44 0.00 -0.02 0.00 0.00 41.25 40.12 1brs s ASN 6 CO -0.02 -1.07 1.76 1.23 -2.57 0.00 0.00 177.10 176.43 1brs h GLY 7 N 10.38 0.43 2.00 0.66 0.00 0.67 0.20 103.07 117.41 1brs h GLY 7 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1brs h GLY 7 CO 1.10 -0.07 0.00 1.05 0.00 0.00 0.00 176.54 178.62 1brs h GLU 8 N 0.11 0.00 -0.01 4.80 9.09 -1.75 -3.00 114.58 123.82 1brs h GLU 8 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 1brs h GLU 8 Cb 2.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.30 1brs h GLU 8 CO -0.12 0.00 -0.07 1.04 0.05 0.00 0.00 179.01 179.92 1brs n GLN 9 N -2.90 1.09 -2.99 1.06 6.02 0.72 -4.79 117.38 115.58 1brs n GLN 9 Ca 0.02 -0.45 -0.43 0.00 -0.01 0.00 0.00 57.00 56.13 1brs n GLN 9 Cb 0.37 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 1brs n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1brs s ILE 10 N -2.22 4.67 -1.85 5.09 -1.09 -1.14 -4.89 121.20 119.78 1brs s ILE 10 Ca 0.35 0.27 0.19 0.00 -2.23 0.00 0.00 60.65 59.23 1brs s ILE 10 Cb 0.21 -4.32 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1brs s ILE 10 CO 0.41 -0.75 0.98 0.54 -1.23 0.00 0.00 174.94 174.89 1brs n ARG 11 N 6.67 1.54 -3.80 2.79 5.12 -1.26 -4.72 116.66 122.99 1brs n ARG 11 Ca 0.01 -1.03 -0.05 0.00 -1.93 0.00 0.00 57.85 54.85 1brs n ARG 11 Cb 0.48 -1.36 -0.01 0.00 -1.16 0.00 0.00 32.46 30.40 1brs n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1brs s SER 12 N -2.06 -0.17 0.27 0.55 1.04 -1.26 -4.83 113.70 107.24 1brs s SER 12 Ca 0.17 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1brs s SER 12 Cb 0.15 0.59 0.37 0.00 0.10 0.00 0.00 66.02 67.23 1brs s SER 12 CO 0.44 -1.10 1.80 -0.29 0.98 0.00 0.00 173.24 175.07 1brs h ILE 13 N 2.00 1.23 -0.98 -1.02 6.09 -1.85 -1.86 117.51 121.11 1brs h ILE 13 Ca -0.23 -0.89 0.02 0.00 -1.37 0.00 0.00 64.86 62.39 1brs h ILE 13 Cb 1.24 0.75 -0.05 0.00 0.47 0.00 0.00 36.82 39.22 1brs h ILE 13 CO 0.27 0.32 0.65 -1.28 -3.07 0.00 0.00 178.15 175.04 1brs h SER 14 N 0.78 1.10 -0.35 2.19 0.87 -1.96 -0.98 113.55 115.20 1brs h SER 14 Ca 0.16 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1brs h SER 14 Cb 0.35 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1brs h SER 14 CO 0.01 0.78 0.20 0.44 -0.53 0.00 0.00 176.83 177.73 1brs h ASP 15 N 1.29 0.32 0.33 6.23 3.32 -1.75 0.80 116.42 126.97 1brs h ASP 15 Ca 0.37 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 1brs h ASP 15 Cb -0.09 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1brs h ASP 15 CO -0.10 0.23 -0.26 0.25 -1.72 0.00 0.00 179.24 177.65 1brs h LEU 16 N 0.41 -0.69 -1.60 1.55 5.85 -0.87 0.08 115.31 120.05 1brs h LEU 16 Ca 0.14 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1brs h LEU 16 Cb 0.01 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1brs h LEU 16 CO -0.07 -0.39 0.33 0.45 -0.34 0.00 0.00 178.44 178.42 1brs h HIS 17 N -0.60 0.50 -0.30 1.25 3.86 -0.92 -1.93 115.15 117.02 1brs h HIS 17 Ca -0.02 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1brs h HIS 17 Cb 0.52 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1brs h HIS 17 CO -0.14 0.29 -0.09 1.96 0.86 0.00 0.00 177.93 180.80 1brs h GLN 18 N 0.52 0.59 -0.78 2.45 1.08 -0.48 0.13 115.11 118.61 1brs h GLN 18 Ca 0.21 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1brs h GLN 18 Cb 0.17 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1brs h GLN 18 CO -0.05 0.79 0.47 1.15 -0.95 0.00 0.00 178.83 180.24 1brs h THR 19 N 0.34 1.22 -0.43 -0.54 2.02 -0.47 -2.52 112.91 112.53 1brs h THR 19 Ca 0.07 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1brs h THR 19 Cb 0.59 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1brs h THR 19 CO 0.03 0.23 0.23 -0.07 0.37 0.00 0.00 175.52 176.31 1brs h LEU 20 N 1.07 0.55 -0.50 2.58 3.38 -1.31 0.21 115.31 121.30 1brs h LEU 20 Ca 0.28 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1brs h LEU 20 Cb -0.03 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1brs h LEU 20 CO -0.05 0.50 0.18 0.50 0.09 0.00 0.00 178.44 179.66 1brs h LYS 21 N 0.56 0.35 0.24 1.13 3.64 -0.63 0.17 116.57 122.04 1brs h LYS 21 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1brs h LYS 21 Cb 0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1brs h LYS 21 CO -0.02 0.23 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.05 1brs h LYS 22 N 0.36 -0.32 -0.66 1.90 1.63 -1.31 -0.99 116.57 117.19 1brs h LYS 22 Ca 0.24 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.15 1brs h LYS 22 Cb 0.25 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.91 1brs h LYS 22 CO -0.24 0.02 0.44 0.93 -3.45 0.00 0.00 179.45 177.15 1brs h GLU 23 N -0.94 0.51 -0.16 1.90 4.39 -0.51 -1.82 114.58 117.94 1brs h GLU 23 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1brs h GLU 23 Cb 0.48 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1brs h GLU 23 CO 0.05 0.34 0.00 1.28 -1.16 0.00 0.00 179.01 179.52 1brs n LEU 24 N -4.48 3.14 -3.72 1.33 4.77 0.60 -4.55 117.00 114.10 1brs n LEU 24 Ca 0.11 -1.18 -0.22 0.00 -0.03 0.00 0.00 56.01 54.69 1brs n LEU 24 Cb 0.35 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1brs n LEU 24 CO 0.33 0.58 -0.07 0.00 -1.33 0.00 0.00 177.39 176.91 1brs n ALA 25 N 1.38 -1.98 -1.43 -1.18 0.00 -0.69 -4.80 120.51 111.82 1brs n ALA 25 Ca 0.16 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1brs n ALA 25 Cb 0.60 -2.05 0.06 0.00 0.00 0.00 0.00 19.45 18.05 1brs n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1brs s LEU 26 N -6.72 3.22 0.65 0.00 1.43 -0.41 -4.95 118.68 111.89 1brs s LEU 26 Ca 0.04 1.85 -0.18 0.00 -1.03 0.00 0.00 54.13 54.81 1brs s LEU 26 Cb -0.02 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1brs s LEU 26 CO 0.82 -1.72 1.08 -0.81 0.23 0.00 0.00 176.35 175.95 1brs n PRO 27 N -2.93 0.87 0.28 1.29 -0.04 -1.26 -4.90 135.00 128.30 1brs n PRO 27 Ca 0.09 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1brs n PRO 27 Cb 0.53 -2.31 0.81 0.00 -0.04 0.00 0.00 33.50 32.49 1brs n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1brs h GLU 28 N 0.30 0.00 -0.01 0.54 4.39 -1.98 -0.40 114.58 117.42 1brs h GLU 28 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1brs h GLU 28 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1brs h GLU 28 CO 0.51 0.05 0.00 2.48 -1.16 0.00 0.00 179.01 180.89 1brs n TYR 29 N -3.86 0.00 -1.45 4.33 0.18 -1.26 -4.94 117.16 110.15 1brs n TYR 29 Ca -0.03 -0.00 -0.57 0.00 1.88 0.00 0.00 57.90 59.18 1brs n TYR 29 Cb 0.14 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.02 1brs n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1brs n TYR 30 N -0.66 1.45 0.35 -3.48 9.36 -0.16 -4.86 117.16 119.17 1brs n TYR 30 Ca 0.22 0.95 0.08 0.00 3.32 0.00 0.00 57.90 62.47 1brs n TYR 30 Cb 0.18 -1.91 0.37 0.00 -0.63 0.00 0.00 39.34 37.34 1brs n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1brs n GLY 31 N 3.69 -1.01 3.91 2.98 0.00 -1.26 -4.91 105.19 108.59 1brs n GLY 31 Ca 0.28 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 1brs n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1brs n GLU 32 N -1.86 -4.15 -4.09 1.61 1.02 -1.26 -4.94 120.64 106.97 1brs n GLU 32 Ca 0.02 0.50 -0.10 0.00 -0.02 0.00 0.00 57.16 57.55 1brs n GLU 32 Cb 0.15 -4.96 -0.08 0.00 -0.02 0.00 0.00 31.44 26.53 1brs n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1brs s ASN 33 N -4.04 0.04 0.33 1.62 2.20 -1.26 -5.02 114.94 108.80 1brs s ASN 33 Ca 0.22 -1.13 0.07 0.00 -0.94 0.00 0.00 52.86 51.08 1brs s ASN 33 Cb -0.11 0.47 0.57 0.00 -2.00 0.00 0.00 41.25 40.18 1brs s ASN 33 CO 0.86 -0.97 1.79 -0.07 -2.94 0.00 0.00 177.10 175.76 1brs h LEU 34 N 2.46 0.28 -0.41 3.54 3.38 -1.99 -0.82 115.31 121.76 1brs h LEU 34 Ca -0.31 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 1brs h LEU 34 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1brs h LEU 34 CO 0.45 0.56 -0.29 0.44 0.09 0.00 0.00 178.44 179.69 1brs h ASP 35 N 0.25 0.96 -0.48 -0.43 3.32 -1.98 -0.38 116.42 117.67 1brs h ASP 35 Ca 0.04 -0.43 -0.11 0.00 0.02 0.00 0.00 57.03 56.55 1brs h ASP 35 Cb 0.62 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1brs h ASP 35 CO 0.04 1.19 -0.11 0.00 -1.72 0.00 0.00 179.24 178.64 1brs h ALA 36 N 0.80 0.84 -0.35 3.45 0.00 -1.89 -1.87 119.26 120.23 1brs h ALA 36 Ca 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1brs h ALA 36 Cb 0.87 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1brs h ALA 36 CO 0.08 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.27 1brs h LEU 37 N 0.85 0.58 -0.57 0.00 5.85 -0.82 -1.69 115.31 119.51 1brs h LEU 37 Ca 0.14 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1brs h LEU 37 Cb 0.65 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1brs h LEU 37 CO 0.05 0.71 0.28 -0.25 -0.34 0.00 0.00 178.44 178.88 1brs h TRP 38 N 0.42 0.51 -0.51 1.25 2.91 -0.95 0.16 115.95 119.75 1brs h TRP 38 Ca 0.10 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.16 1brs h TRP 38 Cb 0.39 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.86 1brs h TRP 38 CO 0.03 0.23 0.32 0.22 -1.03 0.00 0.00 178.44 178.21 1brs h ASP 39 N 0.53 0.54 -0.36 2.65 3.58 -1.17 -2.02 116.42 120.18 1brs h ASP 39 Ca 0.26 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.54 1brs h ASP 39 Cb 0.19 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1brs h ASP 39 CO -0.19 0.39 -0.38 0.00 -2.88 0.00 0.00 179.24 176.18 1brs h ALA 40 N 1.20 0.60 -0.29 -0.78 0.00 -0.94 0.30 119.26 119.36 1brs h ALA 40 Ca 0.19 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1brs h ALA 40 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1brs h ALA 40 CO -0.06 0.68 -0.17 -0.07 0.00 0.00 0.00 179.25 179.62 1brs h LEU 41 N 0.75 0.50 0.00 0.00 3.38 -0.75 -0.33 115.31 118.86 1brs h LEU 41 Ca 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1brs h LEU 41 Cb 0.97 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1brs h LEU 41 CO 0.09 0.69 -0.81 0.35 0.09 0.00 0.00 178.44 178.85 1brs n THR 42 N -4.17 0.06 -2.52 0.22 -2.24 -0.78 -4.53 114.28 100.31 1brs n THR 42 Ca 0.00 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1brs n THR 42 Cb 0.36 0.44 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 1brs n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1brs n GLY 43 N 1.46 1.40 2.15 3.38 0.00 0.11 -4.99 105.19 108.69 1brs n GLY 43 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1brs n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1brs n TRP 44 N -0.51 -3.86 -1.68 1.61 -0.00 -0.89 -4.86 117.44 107.26 1brs n TRP 44 Ca -0.09 1.12 -0.39 0.00 -0.00 0.00 0.00 57.50 58.13 1brs n TRP 44 Cb 0.87 2.80 0.03 0.00 -0.00 0.00 0.00 31.31 35.02 1brs n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1brs n VAL 45 N -3.25 3.19 -3.17 5.87 0.31 -0.18 -5.00 118.33 116.09 1brs n VAL 45 Ca 0.00 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.44 1brs n VAL 45 Cb 0.00 -1.42 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 1brs n VAL 45 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1brs s GLU 46 N -2.50 4.34 0.32 5.55 2.12 -1.26 -4.97 118.70 122.29 1brs s GLU 46 Ca 0.68 0.84 0.10 0.00 0.36 0.00 0.00 54.97 56.95 1brs s GLU 46 Cb -0.47 -3.30 -0.06 0.00 0.26 0.00 0.00 34.13 30.57 1brs s GLU 46 CO 0.52 0.48 -0.12 0.71 -0.54 0.00 0.00 175.26 176.32 1brs s TYR 47 N -0.64 2.38 0.65 5.30 2.02 -1.26 -4.29 117.35 121.51 1brs s TYR 47 Ca 0.32 -0.43 -0.16 0.00 -0.37 0.00 0.00 57.07 56.43 1brs s TYR 47 Cb -0.20 -1.25 -0.00 0.00 -0.40 0.00 0.00 41.96 40.11 1brs s TYR 47 CO 0.20 0.63 1.15 -1.25 -1.57 0.00 0.00 175.55 174.70 1brs s PRO 48 N -3.58 2.75 -0.02 -1.71 0.05 -1.26 -4.94 135.00 126.30 1brs s PRO 48 Ca 0.32 1.57 0.06 0.00 0.05 0.00 0.00 61.00 62.99 1brs s PRO 48 Cb -0.01 -1.93 -0.02 0.00 0.05 0.00 0.00 34.50 32.60 1brs s PRO 48 CO 0.16 -1.32 -0.20 -1.17 0.05 0.00 0.00 177.00 174.52 1brs s LEU 49 N -4.66 2.04 -0.21 -3.56 2.96 0.39 -3.43 118.68 112.21 1brs s LEU 49 Ca 0.71 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1brs s LEU 49 Cb -0.24 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.45 1brs s LEU 49 CO 0.39 0.25 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.82 1brs s VAL 50 N -0.46 2.21 -0.42 1.68 1.01 0.77 -0.46 120.40 124.72 1brs s VAL 50 Ca 0.07 -1.16 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 1brs s VAL 50 Cb -0.08 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1brs s VAL 50 CO -0.01 0.33 0.30 -0.22 0.00 0.00 0.00 175.10 175.50 1brs s LEU 51 N 1.24 5.18 -0.41 3.92 2.96 -0.06 -0.86 118.68 130.65 1brs s LEU 51 Ca 0.00 -1.09 -0.11 0.00 -0.22 0.00 0.00 54.13 52.71 1brs s LEU 51 Cb -0.16 -2.12 0.06 0.00 0.50 0.00 0.00 46.19 44.47 1brs s LEU 51 CO -0.09 -0.50 0.25 -0.70 -1.32 0.00 0.00 176.35 173.99 1brs s GLU 52 N 1.62 2.73 -0.48 1.98 2.12 0.41 -0.98 118.70 126.10 1brs s GLU 52 Ca 0.04 -1.30 -0.10 0.00 0.36 0.00 0.00 54.97 53.98 1brs s GLU 52 Cb -0.21 -3.80 0.12 0.00 0.26 0.00 0.00 34.13 30.51 1brs s GLU 52 CO 0.08 -0.86 0.36 -0.46 -0.54 0.00 0.00 175.26 173.84 1brs s TRP 53 N 1.50 3.41 0.24 5.30 -0.11 -0.41 -0.35 118.94 128.52 1brs s TRP 53 Ca 0.02 -1.82 -0.09 0.00 1.22 0.00 0.00 56.10 55.44 1brs s TRP 53 Cb -0.22 -3.53 -0.07 0.00 -1.50 0.00 0.00 33.47 28.16 1brs s TRP 53 CO 0.04 -1.00 0.55 1.03 -4.62 0.00 0.00 176.95 172.96 1brs s ARG 54 N 1.38 3.77 -1.39 5.86 0.52 -0.18 -1.91 118.95 127.00 1brs s ARG 54 Ca 0.05 0.22 -0.00 0.00 -0.52 0.00 0.00 55.73 55.48 1brs s ARG 54 Cb -0.27 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 1brs s ARG 54 CO -0.00 0.29 0.45 1.04 0.02 0.00 0.00 175.30 177.10 1brs n GLN 55 N -0.31 -3.45 -0.16 3.54 1.13 -1.20 0.12 117.38 117.05 1brs n GLN 55 Ca 0.00 0.43 -0.03 0.00 -1.94 0.00 0.00 57.00 55.46 1brs n GLN 55 Cb 0.53 -4.59 0.03 0.00 0.11 0.00 0.00 30.24 26.32 1brs n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1brs h PHE 56 N -1.84 -0.33 -0.76 1.08 3.57 -1.75 -2.05 116.94 114.86 1brs h PHE 56 Ca -0.63 0.05 0.08 0.00 3.53 0.00 0.00 57.97 60.99 1brs h PHE 56 Cb 1.37 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 1brs h PHE 56 CO 0.48 -0.24 0.50 0.93 -2.23 0.00 0.00 178.31 177.75 1brs h GLU 57 N -0.03 0.74 -0.56 1.11 4.39 -1.89 -1.23 114.58 117.11 1brs h GLU 57 Ca 0.24 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 1brs h GLU 57 Cb 0.40 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1brs h GLU 57 CO -0.53 0.49 -0.05 1.96 -1.16 0.00 0.00 179.01 179.72 1brs h GLN 58 N 0.76 1.01 -0.31 2.33 4.20 -1.67 -2.60 115.11 118.84 1brs h GLN 58 Ca 0.34 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1brs h GLN 58 Cb 0.32 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1brs h GLN 58 CO -0.12 1.02 -0.13 0.66 -0.67 0.00 0.00 178.83 179.59 1brs h SER 59 N 0.91 0.51 -0.47 1.46 4.64 -1.27 -2.71 113.55 116.63 1brs h SER 59 Ca 0.15 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1brs h SER 59 Cb 0.60 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1brs h SER 59 CO 0.04 0.68 0.24 0.50 -0.87 0.00 0.00 176.83 177.42 1brs h LYS 60 N 0.49 0.67 0.35 4.77 3.64 -0.90 -1.03 116.57 124.55 1brs h LYS 60 Ca 0.09 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1brs h LYS 60 Cb 0.52 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1brs h LYS 60 CO 0.03 0.55 -0.37 1.96 -2.27 0.00 0.00 179.45 179.35 1brs h GLN 61 N 0.62 -0.73 0.00 1.90 4.20 -1.30 -2.98 115.11 116.83 1brs h GLN 61 Ca 0.16 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1brs h GLN 61 Cb 0.09 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1brs h GLN 61 CO -0.02 -0.49 -0.08 -0.07 -0.67 0.00 0.00 178.83 177.50 1brs h LEU 62 N -0.76 0.00 0.00 1.46 -0.00 -1.28 -3.52 115.31 111.21 1brs h LEU 62 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1brs h LEU 62 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1brs h LEU 62 CO -0.08 0.08 0.00 0.35 -0.00 0.00 0.00 178.44 178.79 1brs n THR 63 N -3.48 0.00 0.00 0.22 -2.24 -0.41 -4.15 114.28 104.23 1brs n THR 63 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1brs n THR 63 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1brs n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1brs n GLY 66 N 5.00 2.05 0.37 3.38 0.00 -1.26 -4.74 105.19 109.98 1brs n GLY 66 Ca 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.52 1brs n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brs h ALA 67 N 0.00 1.67 -0.35 4.61 0.00 -1.86 -2.22 119.26 121.11 1brs h ALA 67 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1brs h ALA 67 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1brs h ALA 67 CO 0.00 0.09 -0.28 1.49 0.00 0.00 0.00 179.25 180.55 1brs h GLU 68 N 0.85 0.80 -0.78 0.00 4.57 -1.95 -1.64 114.58 116.42 1brs h GLU 68 Ca 0.47 -0.40 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1brs h GLU 68 Cb 0.60 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1brs h GLU 68 CO -0.24 1.03 0.51 0.77 -1.18 0.00 0.00 179.01 179.90 1brs h SER 69 N 0.59 0.87 -0.20 1.04 0.02 -1.89 -1.22 113.55 112.75 1brs h SER 69 Ca 0.06 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1brs h SER 69 Cb 0.85 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1brs h SER 69 CO 0.07 0.61 -0.07 0.58 -1.14 0.00 0.00 176.83 176.89 1brs h VAL 70 N 1.02 1.30 -0.76 2.27 2.07 -1.38 -2.70 116.25 118.07 1brs h VAL 70 Ca 0.30 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1brs h VAL 70 Cb -0.06 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1brs h VAL 70 CO -0.08 0.33 0.46 0.25 0.02 0.00 0.00 177.57 178.55 1brs h LEU 71 N 0.10 0.72 -0.97 2.57 5.85 -1.11 -2.19 115.31 120.28 1brs h LEU 71 Ca 0.05 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1brs h LEU 71 Cb 0.54 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1brs h LEU 71 CO 0.02 0.47 0.63 -0.61 -0.34 0.00 0.00 178.44 178.61 1brs h GLN 72 N 0.85 1.16 -0.59 1.25 4.15 -1.11 -1.12 115.11 119.71 1brs h GLN 72 Ca 0.33 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.63 1brs h GLN 72 Cb 0.15 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1brs h GLN 72 CO -0.16 0.77 0.18 0.28 -1.93 0.00 0.00 178.83 177.96 1brs h VAL 73 N 1.20 1.24 -0.74 2.39 2.07 -1.07 -1.88 116.25 119.46 1brs h VAL 73 Ca 0.40 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1brs h VAL 73 Cb 0.06 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1brs h VAL 73 CO -0.14 0.31 0.42 -0.26 0.02 0.00 0.00 177.57 177.92 1brs h PHE 74 N 0.83 1.00 -0.42 1.57 0.04 -1.11 -1.51 116.94 117.33 1brs h PHE 74 Ca 0.19 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 1brs h PHE 74 Cb 0.30 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1brs h PHE 74 CO 0.02 0.69 -0.16 0.00 -0.60 0.00 0.00 178.31 178.26 1brs h ARG 75 N 1.01 0.79 -0.21 1.51 3.08 -0.93 -1.74 114.38 117.89 1brs h ARG 75 Ca 0.26 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1brs h ARG 75 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1brs h ARG 75 CO -0.04 0.90 -0.37 0.93 -1.07 0.00 0.00 179.97 180.33 1brs h GLU 76 N 0.70 0.47 -0.54 0.04 5.08 -1.19 0.20 114.58 119.34 1brs h GLU 76 Ca 0.11 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1brs h GLU 76 Cb 0.66 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1brs h GLU 76 CO 0.05 0.77 -0.08 0.00 -1.00 0.00 0.00 179.01 178.75 1brs h ALA 77 N 1.21 0.85 -0.11 3.43 0.00 -1.03 -1.36 119.26 122.26 1brs h ALA 77 Ca 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1brs h ALA 77 Cb 0.82 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1brs h ALA 77 CO 0.07 0.66 -0.10 -0.22 0.00 0.00 0.00 179.25 179.65 1brs h LYS 78 N 0.88 0.26 -0.79 0.00 3.64 -1.00 -2.47 116.57 117.09 1brs h LYS 78 Ca 0.15 -0.14 0.18 0.00 -1.27 0.00 0.00 60.65 59.57 1brs h LYS 78 Cb 0.62 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.33 1brs h LYS 78 CO 0.04 0.67 0.21 0.00 -2.27 0.00 0.00 179.45 178.10 1brs h ALA 79 N 0.59 1.07 0.00 5.00 0.00 -0.35 0.57 119.26 126.13 1brs h ALA 79 Ca 0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1brs h ALA 79 Cb 0.62 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1brs h ALA 79 CO 0.03 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.31 1brs n GLU 80 N -5.16 0.57 0.00 0.00 1.02 -0.53 -4.88 120.64 111.66 1brs n GLU 80 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1brs n GLU 80 Cb 0.52 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1brs n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brs n GLY 81 N 0.09 1.72 3.77 0.62 0.00 0.20 -5.06 105.19 106.54 1brs n GLY 81 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1brs n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brs s ALA 82 N -2.32 3.51 -1.26 4.61 0.00 -0.94 -4.90 121.76 120.45 1brs s ALA 82 Ca 0.00 1.31 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 1brs s ALA 82 Cb 0.00 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.72 1brs s ALA 82 CO 0.00 -0.71 1.63 0.34 0.00 0.00 0.00 175.76 177.02 1brs s ASP 83 N -0.44 6.89 -0.17 0.00 -1.08 -1.26 -4.38 116.67 116.23 1brs s ASP 83 Ca 0.50 -2.55 0.01 0.00 -0.52 0.00 0.00 52.55 49.99 1brs s ASP 83 Cb -0.41 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.54 1brs s ASP 83 CO 0.55 -1.07 -0.20 -0.63 0.52 0.00 0.00 175.17 174.34 1brs s ILE 84 N 3.51 2.11 -0.22 4.11 1.01 -1.26 -0.46 121.20 130.00 1brs s ILE 84 Ca 0.50 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 1brs s ILE 84 Cb 0.02 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1brs s ILE 84 CO 0.05 0.54 0.23 -0.89 0.00 0.00 0.00 174.94 174.87 1brs s THR 85 N 1.17 5.32 -0.21 2.92 2.01 0.39 -4.97 115.64 122.27 1brs s THR 85 Ca 0.02 0.35 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 1brs s THR 85 Cb -0.14 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1brs s THR 85 CO -0.10 0.33 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.48 1brs s ILE 86 N 1.05 3.38 -0.20 1.82 1.01 -1.26 -0.88 121.20 126.12 1brs s ILE 86 Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1brs s ILE 86 Cb -0.14 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1brs s ILE 86 CO 0.05 0.44 -0.10 -0.63 0.00 0.00 0.00 174.94 174.70 1brs s ILE 87 N 1.31 2.94 -0.42 2.92 1.01 -0.15 -5.01 121.20 123.80 1brs s ILE 87 Ca 0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1brs s ILE 87 Cb -0.14 -2.31 0.10 0.00 0.01 0.00 0.00 42.46 40.12 1brs s ILE 87 CO -0.02 0.47 0.25 -0.76 0.00 0.00 0.00 174.94 174.87 1brs s LEU 88 N 1.36 5.23 0.00 2.97 1.43 -1.26 -1.29 118.68 127.11 1brs s LEU 88 Ca 0.05 -1.73 0.02 0.00 -1.03 0.00 0.00 54.13 51.43 1brs s LEU 88 Cb -0.14 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1brs s LEU 88 CO -0.06 -0.56 0.57 -1.54 0.23 0.00 0.00 176.35 174.99