#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brs s ALA 3 N 0.00 3.53 -0.07 3.14 0.00 0.12 -4.98 121.76 123.49 1brs s ALA 3 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 1brs s ALA 3 Cb 0.00 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1brs s ALA 3 CO 0.00 0.32 -0.04 0.08 0.00 0.00 0.00 175.76 176.12 1brs s VAL 4 N -0.91 0.62 -0.33 0.00 1.01 -1.26 -1.52 120.40 118.01 1brs s VAL 4 Ca 0.31 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 1brs s VAL 4 Cb -0.20 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1brs s VAL 4 CO 0.20 0.28 0.21 -0.63 0.00 0.00 0.00 175.10 175.17 1brs s ILE 5 N 1.54 4.99 -0.96 2.22 1.01 -0.14 -5.01 121.20 124.85 1brs s ILE 5 Ca -0.01 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 1brs s ILE 5 Cb -0.13 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 38.88 1brs s ILE 5 CO -0.04 -0.01 1.21 0.20 0.00 0.00 0.00 174.94 176.31 1brs s ASN 6 N 1.67 6.62 0.30 3.58 0.01 -1.26 -0.61 114.94 125.25 1brs s ASN 6 Ca 0.05 -1.96 0.04 0.00 -0.71 0.00 0.00 52.86 50.28 1brs s ASN 6 Cb -0.17 -2.44 0.78 0.00 0.41 0.00 0.00 41.25 39.83 1brs s ASN 6 CO 0.09 -1.14 1.62 1.23 -1.51 0.00 0.00 177.10 177.38 1brs h GLY 7 N 10.90 1.41 2.00 0.66 0.00 -0.25 -1.95 103.07 115.85 1brs h GLY 7 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1brs h GLY 7 CO 1.18 -0.44 -0.06 -2.09 0.00 0.00 0.00 176.54 175.13 1brs h GLU 8 N 0.14 0.00 -0.02 4.80 4.81 -1.74 -2.89 114.58 119.68 1brs h GLU 8 Ca 0.59 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1brs h GLU 8 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1brs h GLU 8 CO -0.73 0.06 -0.13 1.04 -0.73 0.00 0.00 179.01 178.52 1brs n GLN 9 N -3.33 1.97 -2.31 1.92 1.13 -0.74 -4.94 117.38 111.08 1brs n GLN 9 Ca -0.01 -1.60 -0.42 0.00 -1.94 0.00 0.00 57.00 53.02 1brs n GLN 9 Cb 0.22 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 1brs n GLN 9 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1brs s ILE 10 N -2.14 3.92 -0.31 5.09 -1.09 -1.10 -4.90 121.20 120.68 1brs s ILE 10 Ca 0.26 1.28 0.23 0.00 -2.23 0.00 0.00 60.65 60.18 1brs s ILE 10 Cb 0.20 -3.82 -0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1brs s ILE 10 CO 0.38 -0.01 0.96 -2.11 -1.23 0.00 0.00 174.94 172.93 1brs n ARG 11 N 5.41 0.52 -3.84 2.79 1.85 -1.26 -4.78 116.66 117.36 1brs n ARG 11 Ca 0.12 0.04 -0.05 0.00 -1.00 0.00 0.00 57.85 56.96 1brs n ARG 11 Cb 0.45 -1.71 0.02 0.00 -1.05 0.00 0.00 32.46 30.17 1brs n ARG 11 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1brs n SER 12 N -2.41 -1.95 -0.01 2.89 3.41 -1.26 -4.76 113.62 109.53 1brs n SER 12 Ca -0.00 -2.16 -0.07 0.00 -0.26 0.00 0.00 58.87 56.38 1brs n SER 12 Cb 0.52 3.20 0.12 0.00 -0.26 0.00 0.00 64.21 67.79 1brs n SER 12 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1brs h ILE 13 N 1.99 1.29 -0.61 -1.33 6.09 -1.93 -1.65 117.51 121.35 1brs h ILE 13 Ca -0.30 -1.52 0.05 0.00 -1.37 0.00 0.00 64.86 61.73 1brs h ILE 13 Cb 1.21 1.51 -0.05 0.00 0.47 0.00 0.00 36.82 39.96 1brs h ILE 13 CO 0.39 0.48 0.33 0.28 -3.07 0.00 0.00 178.15 176.56 1brs h SER 14 N 0.47 0.49 -0.56 2.19 0.02 -1.96 -0.94 113.55 113.27 1brs h SER 14 Ca 0.05 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1brs h SER 14 Cb 0.86 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.28 1brs h SER 14 CO 0.07 0.33 0.26 -0.78 -1.14 0.00 0.00 176.83 175.57 1brs h ASP 15 N 0.63 0.34 -0.16 3.07 1.82 -1.89 -0.24 116.42 119.98 1brs h ASP 15 Ca 0.27 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1brs h ASP 15 Cb 0.16 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1brs h ASP 15 CO -0.17 0.22 0.10 0.25 -1.61 0.00 0.00 179.24 178.03 1brs h LEU 16 N 0.49 0.19 -0.18 2.28 5.85 -0.72 0.06 115.31 123.28 1brs h LEU 16 Ca 0.26 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1brs h LEU 16 Cb 0.23 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1brs h LEU 16 CO -0.21 0.18 0.08 0.45 -0.34 0.00 0.00 178.44 178.59 1brs h HIS 17 N 0.19 0.26 -0.87 1.25 3.86 -0.54 0.11 115.15 119.42 1brs h HIS 17 Ca 0.06 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.32 1brs h HIS 17 Cb 0.02 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 1brs h HIS 17 CO -0.06 0.31 0.57 1.96 0.86 0.00 0.00 177.93 181.57 1brs h GLN 18 N 0.14 0.94 -0.15 2.45 7.50 -1.04 0.26 115.11 125.21 1brs h GLN 18 Ca 0.06 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.09 1brs h GLN 18 Cb 0.15 -0.21 -0.00 0.00 0.05 0.00 0.00 27.48 27.47 1brs h GLN 18 CO -0.01 0.62 -0.16 1.15 -1.50 0.00 0.00 178.83 178.93 1brs h THR 19 N 0.96 1.35 -0.81 -0.54 2.02 -0.45 -2.84 112.91 112.59 1brs h THR 19 Ca 0.38 -1.34 0.05 0.00 0.77 0.00 0.00 66.41 66.27 1brs h THR 19 Cb 0.22 1.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1brs h THR 19 CO -0.14 0.40 0.51 -0.07 0.37 0.00 0.00 175.52 176.58 1brs h LEU 20 N 0.01 0.81 -0.52 2.58 3.38 -0.20 -1.00 115.31 120.38 1brs h LEU 20 Ca 0.02 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1brs h LEU 20 Cb 0.70 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1brs h LEU 20 CO 0.04 0.53 0.09 0.50 0.09 0.00 0.00 178.44 179.69 1brs h LYS 21 N 0.95 0.21 0.38 1.13 3.64 -0.86 0.30 116.57 122.32 1brs h LYS 21 Ca 0.34 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1brs h LYS 21 Cb 0.11 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1brs h LYS 21 CO -0.15 0.14 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.77 1brs h LYS 22 N 0.22 -0.49 -0.43 1.90 1.63 -1.24 -0.22 116.57 117.94 1brs h LYS 22 Ca 0.26 0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 60.02 1brs h LYS 22 Cb 0.37 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1brs h LYS 22 CO -0.36 -0.21 -0.05 0.93 -3.45 0.00 0.00 179.45 176.31 1brs h GLU 23 N -0.75 0.72 -0.08 1.90 4.39 -1.02 -3.00 114.58 116.74 1brs h GLU 23 Ca -0.05 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1brs h GLU 23 Cb 0.51 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1brs h GLU 23 CO 0.09 0.77 0.00 1.28 -1.16 0.00 0.00 179.01 179.98 1brs n LEU 24 N -4.20 3.05 -3.41 1.33 4.77 0.10 -4.81 117.00 113.84 1brs n LEU 24 Ca 0.02 -1.07 -0.17 0.00 -0.03 0.00 0.00 56.01 54.76 1brs n LEU 24 Cb 0.32 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1brs n LEU 24 CO 0.41 0.53 0.08 0.00 -1.33 0.00 0.00 177.39 177.09 1brs n ALA 25 N 1.36 -2.14 -1.62 -1.18 0.00 -0.41 -4.85 120.51 111.66 1brs n ALA 25 Ca 0.15 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1brs n ALA 25 Cb 0.60 -3.21 0.06 0.00 0.00 0.00 0.00 19.45 16.89 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 -6.15 2.94 0.66 0.00 1.43 -0.23 -4.91 118.68 112.42 1brs s LEU 26 Ca 0.11 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 54.49 1brs s LEU 26 Cb -0.02 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1brs s LEU 26 CO 0.74 -1.55 1.02 -0.81 0.23 0.00 0.00 176.35 175.98 1brs n PRO 27 N -3.18 0.75 -0.08 1.29 -0.04 -1.26 -4.88 135.00 127.60 1brs n PRO 27 Ca 0.07 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 1brs n PRO 27 Cb 0.55 -2.25 0.45 0.00 -0.04 0.00 0.00 33.50 32.20 1brs n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1brs h GLU 28 N 0.15 0.51 -0.03 0.54 4.57 -1.98 -0.47 114.58 117.86 1brs h GLU 28 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1brs h GLU 28 Cb 1.35 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1brs h GLU 28 CO 0.49 0.34 0.00 2.48 -1.18 0.00 0.00 179.01 181.14 1brs n TYR 29 N -4.47 0.04 -1.24 0.92 0.18 -1.26 -4.97 117.16 106.36 1brs n TYR 29 Ca 0.08 -0.02 -0.48 0.00 1.88 0.00 0.00 57.90 59.36 1brs n TYR 29 Cb 0.25 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.14 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 -0.46 1.24 0.89 -3.48 9.36 -0.19 -4.83 117.16 119.70 1brs n TYR 30 Ca 0.19 0.81 0.09 0.00 3.32 0.00 0.00 57.90 62.31 1brs n TYR 30 Cb 0.19 -1.59 0.47 0.00 -0.63 0.00 0.00 39.34 37.78 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 2.95 -0.88 3.68 2.98 0.00 -1.26 -4.93 105.19 107.72 1brs n GLY 31 Ca 0.23 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.27 -3.35 -3.88 1.61 1.02 -1.26 -4.96 120.64 108.54 1brs n GLU 32 Ca 0.09 0.57 -0.08 0.00 -0.02 0.00 0.00 57.16 57.72 1brs n GLU 32 Cb 0.14 -4.86 -0.03 0.00 -0.02 0.00 0.00 31.44 26.68 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 -4.01 -0.22 0.30 1.62 2.20 -1.26 -4.99 114.94 108.58 1brs s ASN 33 Ca 0.19 -0.67 0.03 0.00 -0.94 0.00 0.00 52.86 51.46 1brs s ASN 33 Cb -0.05 0.68 0.47 0.00 -2.00 0.00 0.00 41.25 40.35 1brs s ASN 33 CO 0.83 -1.27 1.78 -0.07 -2.94 0.00 0.00 177.10 175.42 1brs h LEU 34 N 2.07 0.50 -0.70 3.54 3.38 -1.99 -0.77 115.31 121.34 1brs h LEU 34 Ca -0.22 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 1brs h LEU 34 Cb 1.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1brs h LEU 34 CO 0.27 0.68 -0.51 0.44 0.09 0.00 0.00 178.44 179.41 1brs h ASP 35 N 0.46 0.38 -0.23 -0.43 3.32 -1.98 -1.77 116.42 116.17 1brs h ASP 35 Ca 0.08 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.80 1brs h ASP 35 Cb 0.54 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1brs h ASP 35 CO 0.03 0.83 -0.35 0.00 -1.72 0.00 0.00 179.24 178.03 1brs h ALA 36 N 1.18 0.76 -0.44 3.45 0.00 -1.88 -2.15 119.26 120.17 1brs h ALA 36 Ca 0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1brs h ALA 36 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1brs h ALA 36 CO 0.09 0.65 0.03 1.25 0.00 0.00 0.00 179.25 181.27 1brs h LEU 37 N 0.63 0.74 -0.32 0.00 5.85 -0.93 -1.85 115.31 119.43 1brs h LEU 37 Ca 0.06 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1brs h LEU 37 Cb 0.89 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1brs h LEU 37 CO 0.08 0.84 0.21 -0.25 -0.34 0.00 0.00 178.44 178.98 1brs h TRP 38 N 0.61 0.40 -0.34 1.25 2.91 -1.21 -1.32 115.95 118.23 1brs h TRP 38 Ca 0.13 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.20 1brs h TRP 38 Cb 0.44 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 1brs h TRP 38 CO 0.03 0.25 0.12 0.22 -1.03 0.00 0.00 178.44 178.03 1brs h ASP 39 N 0.43 0.12 -0.87 2.65 3.58 -1.27 -1.47 116.42 119.60 1brs h ASP 39 Ca 0.12 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1brs h ASP 39 Cb -0.04 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1brs h ASP 39 CO -0.03 0.11 0.48 0.00 -2.88 0.00 0.00 179.24 176.91 1brs h ALA 40 N 1.22 1.19 -0.09 -0.78 0.00 -1.15 1.16 119.26 120.82 1brs h ALA 40 Ca 0.16 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1brs h ALA 40 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1brs h ALA 40 CO -0.16 0.65 -0.70 -0.07 0.00 0.00 0.00 179.25 178.97 1brs h LEU 41 N 1.23 0.48 -0.09 0.00 3.38 -1.02 0.81 115.31 120.10 1brs h LEU 41 Ca 0.31 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1brs h LEU 41 Cb 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1brs h LEU 41 CO -0.05 1.04 -0.69 0.35 0.09 0.00 0.00 178.44 179.17 1brs n THR 42 N -3.85 0.00 -2.59 0.22 -2.24 -0.57 -4.59 114.28 100.66 1brs n THR 42 Ca -0.04 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1brs n THR 42 Cb 0.69 0.63 0.06 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.49 1.61 2.11 3.38 0.00 0.40 -5.00 105.19 109.17 1brs n GLY 43 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.82 -3.59 -1.74 1.61 -0.00 -0.58 -4.83 117.44 107.49 1brs n TRP 44 Ca -0.10 0.79 -0.35 0.00 -0.00 0.00 0.00 57.50 57.84 1brs n TRP 44 Cb 0.86 2.22 0.06 0.00 -0.00 0.00 0.00 31.31 34.44 1brs n TRP 44 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1brs s VAL 45 N -2.00 2.59 0.15 5.87 -7.23 0.17 -5.01 120.40 114.93 1brs s VAL 45 Ca 0.00 0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 60.28 1brs s VAL 45 Cb 0.00 -2.98 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 1brs s VAL 45 CO 0.00 -0.12 0.68 -0.70 -0.31 0.00 0.00 175.10 174.65 1brs s GLU 46 N -3.67 4.33 0.16 4.82 2.12 -1.26 -5.00 118.70 120.20 1brs s GLU 46 Ca 0.75 0.91 0.08 0.00 0.36 0.00 0.00 54.97 57.06 1brs s GLU 46 Cb -0.29 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1brs s GLU 46 CO 0.39 0.55 -0.08 0.71 -0.54 0.00 0.00 175.26 176.29 1brs s TYR 47 N -1.24 2.70 0.72 5.30 2.02 -1.26 -4.44 117.35 121.15 1brs s TYR 47 Ca 0.35 -0.19 -0.12 0.00 -0.37 0.00 0.00 57.07 56.74 1brs s TYR 47 Cb -0.20 -1.35 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1brs s TYR 47 CO 0.22 0.49 1.09 -1.25 -1.57 0.00 0.00 175.55 174.53 1brs s PRO 48 N -2.67 2.55 -0.02 -1.71 0.05 -1.26 -5.12 135.00 126.83 1brs s PRO 48 Ca 0.24 1.23 0.04 0.00 0.05 0.00 0.00 61.00 62.57 1brs s PRO 48 Cb -0.10 -1.93 -0.01 0.00 0.05 0.00 0.00 34.50 32.52 1brs s PRO 48 CO 0.15 -1.42 -0.15 -1.17 0.05 0.00 0.00 177.00 174.46 1brs s LEU 49 N -5.44 1.98 -0.17 -3.56 2.96 -0.05 -5.04 118.68 109.35 1brs s LEU 49 Ca 0.63 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1brs s LEU 49 Cb -0.18 -0.80 0.05 0.00 0.50 0.00 0.00 46.19 45.76 1brs s LEU 49 CO 0.50 0.17 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.97 1brs s VAL 50 N -0.23 1.03 -0.22 1.68 1.01 -1.26 -0.31 120.40 122.10 1brs s VAL 50 Ca 0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1brs s VAL 50 Cb -0.07 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1brs s VAL 50 CO 0.00 0.05 -0.08 -0.22 0.00 0.00 0.00 175.10 174.85 1brs s LEU 51 N 1.66 2.83 -0.30 3.92 2.96 0.74 0.11 118.68 130.60 1brs s LEU 51 Ca -0.00 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1brs s LEU 51 Cb -0.16 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1brs s LEU 51 CO -0.07 -0.05 0.08 -0.70 -1.32 0.00 0.00 176.35 174.28 1brs s GLU 52 N 1.39 2.94 -0.49 1.98 2.12 -0.58 -0.17 118.70 125.90 1brs s GLU 52 Ca 0.04 -0.95 -0.12 0.00 0.36 0.00 0.00 54.97 54.30 1brs s GLU 52 Cb -0.15 -3.37 0.12 0.00 0.26 0.00 0.00 34.13 31.00 1brs s GLU 52 CO -0.06 -0.50 0.39 -0.46 -0.54 0.00 0.00 175.26 174.10 1brs s TRP 53 N 1.46 3.36 0.25 5.30 -0.11 0.43 -0.97 118.94 128.65 1brs s TRP 53 Ca 0.01 -1.64 -0.22 0.00 1.22 0.00 0.00 56.10 55.47 1brs s TRP 53 Cb -0.18 -3.56 -0.09 0.00 -1.50 0.00 0.00 33.47 28.14 1brs s TRP 53 CO 0.02 -0.99 0.79 1.03 -4.62 0.00 0.00 176.95 173.18 1brs s ARG 54 N 1.45 4.37 -1.39 5.86 0.52 0.22 -2.82 118.95 127.17 1brs s ARG 54 Ca 0.05 1.03 -0.07 0.00 -0.52 0.00 0.00 55.73 56.21 1brs s ARG 54 Cb -0.27 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.35 1brs s ARG 54 CO 0.01 0.37 0.96 1.04 0.02 0.00 0.00 175.30 177.70 1brs n GLN 55 N 0.73 -6.12 -0.34 3.54 1.13 -1.26 0.44 117.38 115.50 1brs n GLN 55 Ca -0.01 0.69 -0.10 0.00 -1.94 0.00 0.00 57.00 55.64 1brs n GLN 55 Cb 0.51 -5.56 -0.08 0.00 0.11 0.00 0.00 30.24 25.22 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 -2.16 -1.72 -0.87 1.08 3.57 -1.92 0.12 116.94 115.03 1brs h PHE 56 Ca -0.59 0.11 0.22 0.00 3.53 0.00 0.00 57.97 61.25 1brs h PHE 56 Cb 1.37 0.86 -0.15 0.00 2.79 0.00 0.00 35.95 40.82 1brs h PHE 56 CO 0.51 -0.40 0.09 0.93 -2.23 0.00 0.00 178.31 177.21 1brs h GLU 57 N -0.10 0.11 -0.82 1.11 3.07 -1.94 0.33 114.58 116.34 1brs h GLU 57 Ca 0.16 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1brs h GLU 57 Cb 0.48 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1brs h GLU 57 CO -0.85 0.07 0.44 1.96 -1.40 0.00 0.00 179.01 179.23 1brs h GLN 58 N 0.11 1.15 -0.62 2.33 4.20 -1.08 -2.22 115.11 118.98 1brs h GLN 58 Ca 0.52 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 59.02 1brs h GLN 58 Cb 1.01 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1brs h GLN 58 CO -0.74 0.85 0.13 0.66 -0.67 0.00 0.00 178.83 179.07 1brs h SER 59 N 1.14 0.96 -0.19 1.46 4.64 0.17 0.16 113.55 121.88 1brs h SER 59 Ca 0.29 -0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.41 1brs h SER 59 Cb 0.05 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 61.84 1brs h SER 59 CO -0.04 0.96 -0.12 0.11 -0.87 0.00 0.00 176.83 176.86 1brs h LYS 60 N 0.92 -0.11 0.83 4.77 1.57 -0.65 0.23 116.57 124.13 1brs h LYS 60 Ca 0.19 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1brs h LYS 60 Cb 0.39 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1brs h LYS 60 CO 0.01 -0.07 -0.42 -0.56 -0.57 0.00 0.00 179.45 177.84 1brs h GLN 61 N -0.11 -1.09 -0.81 3.15 3.07 -1.08 -3.05 115.11 115.19 1brs h GLN 61 Ca 0.11 0.07 0.03 0.00 0.09 0.00 0.00 58.65 58.96 1brs h GLN 61 Cb 0.28 0.25 -0.05 0.00 0.08 0.00 0.00 27.48 28.04 1brs h GLN 61 CO -0.26 -0.73 0.53 1.37 0.09 0.00 0.00 178.83 179.83 1brs h LEU 62 N -1.13 0.86 0.00 0.06 -0.00 -0.41 -3.52 115.31 111.18 1brs h LEU 62 Ca -0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1brs h LEU 62 Cb 0.88 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1brs h LEU 62 CO 0.17 0.60 0.00 0.35 -0.00 0.00 0.00 178.44 179.56 1brs n THR 63 N -4.44 0.00 0.00 0.15 -2.24 0.80 -4.65 114.28 103.89 1brs n THR 63 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1brs n THR 63 Cb 0.10 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 2.10 0.31 3.38 0.00 -1.26 -4.94 105.19 109.78 1brs n GLY 66 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 1.72 -0.57 4.61 0.00 -1.81 -2.74 119.26 120.47 1brs h ALA 67 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1brs h ALA 67 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1brs h ALA 67 CO 0.00 0.26 0.12 1.49 0.00 0.00 0.00 179.25 181.13 1brs h GLU 68 N 0.54 0.88 -0.58 0.00 4.57 -1.94 -0.89 114.58 117.15 1brs h GLU 68 Ca 0.15 -0.19 -0.10 0.00 -1.18 0.00 0.00 59.36 58.03 1brs h GLU 68 Cb -0.06 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 1brs h GLU 68 CO -0.03 0.80 -0.05 0.77 -1.18 0.00 0.00 179.01 179.32 1brs h SER 69 N 0.84 1.05 -0.29 1.04 0.02 -1.93 -0.02 113.55 114.26 1brs h SER 69 Ca 0.18 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1brs h SER 69 Cb 0.33 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1brs h SER 69 CO 0.00 1.12 0.13 0.58 -1.14 0.00 0.00 176.83 177.52 1brs h VAL 70 N 0.95 1.16 -0.56 2.27 2.07 -1.32 -2.72 116.25 118.10 1brs h VAL 70 Ca 0.16 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1brs h VAL 70 Cb 0.61 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1brs h VAL 70 CO 0.04 0.17 0.33 0.25 0.02 0.00 0.00 177.57 178.38 1brs h LEU 71 N 0.33 0.53 -1.60 2.57 5.85 -1.02 -2.62 115.31 119.36 1brs h LEU 71 Ca 0.10 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1brs h LEU 71 Cb 0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1brs h LEU 71 CO -0.01 0.37 0.35 1.56 -0.34 0.00 0.00 178.44 180.37 1brs h GLN 72 N 0.65 0.49 -0.61 1.25 4.20 -0.69 -2.27 115.11 118.13 1brs h GLN 72 Ca 0.23 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1brs h GLN 72 Cb 0.04 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1brs h GLN 72 CO -0.11 0.33 0.26 0.28 -0.67 0.00 0.00 178.83 178.91 1brs h VAL 73 N 0.51 1.23 -0.66 -0.54 2.07 -1.27 0.14 116.25 117.73 1brs h VAL 73 Ca 0.22 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1brs h VAL 73 Cb 0.23 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1brs h VAL 73 CO -0.06 0.27 0.12 -0.26 0.02 0.00 0.00 177.57 177.67 1brs h PHE 74 N 0.85 1.14 -0.42 1.57 0.04 -1.34 0.16 116.94 118.94 1brs h PHE 74 Ca 0.21 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 1brs h PHE 74 Cb 0.18 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1brs h PHE 74 CO 0.01 0.95 -0.08 0.00 -0.60 0.00 0.00 178.31 178.59 1brs h ARG 75 N 0.99 0.80 -0.46 1.51 2.47 -1.14 -0.91 114.38 117.64 1brs h ARG 75 Ca 0.20 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1brs h ARG 75 Cb 0.42 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 1brs h ARG 75 CO 0.01 0.91 0.21 0.93 0.56 0.00 0.00 179.97 182.59 1brs h GLU 76 N 0.62 0.66 -0.93 0.04 5.08 -0.55 0.41 114.58 119.92 1brs h GLU 76 Ca 0.11 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1brs h GLU 76 Cb 0.60 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1brs h GLU 76 CO 0.04 0.57 0.58 0.00 -1.00 0.00 0.00 179.01 179.20 1brs h ALA 77 N 1.05 1.27 0.17 3.43 0.00 -0.76 -1.75 119.26 122.69 1brs h ALA 77 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1brs h ALA 77 Cb 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1brs h ALA 77 CO -0.02 0.64 -0.08 -0.22 0.00 0.00 0.00 179.25 179.57 1brs h LYS 78 N 1.27 -0.23 -0.25 0.00 3.64 -0.80 0.24 116.57 120.45 1brs h LYS 78 Ca 0.33 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.80 1brs h LYS 78 Cb -0.09 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1brs h LYS 78 CO -0.07 -0.00 0.28 0.00 -2.27 0.00 0.00 179.45 177.40 1brs h ALA 79 N 0.37 1.88 -0.56 5.00 0.00 0.24 -0.22 119.26 125.97 1brs h ALA 79 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1brs h ALA 79 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1brs h ALA 79 CO 0.04 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.27 1brs n GLU 80 N -3.73 3.02 0.00 0.00 1.02 -0.70 -4.95 120.64 115.30 1brs n GLU 80 Ca 0.03 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1brs n GLU 80 Cb 0.42 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.13 1.77 3.77 0.62 0.00 -0.10 -5.04 105.19 107.35 1brs n GLY 81 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 3.40 -1.36 4.61 0.00 0.06 -4.88 121.76 121.27 1brs s ALA 82 Ca 0.00 1.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 1brs s ALA 82 Cb 0.00 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.63 1brs s ALA 82 CO 0.00 -1.04 1.96 -3.47 0.00 0.00 0.00 175.76 173.21 1brs n ASP 83 N 0.20 4.49 -4.36 0.00 -0.08 -1.26 -4.47 116.55 111.07 1brs n ASP 83 Ca 0.03 -2.92 -0.32 0.00 -1.51 0.00 0.00 54.79 50.07 1brs n ASP 83 Cb 0.41 -1.65 -0.15 0.00 2.34 0.00 0.00 41.12 42.07 1brs n ASP 83 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1brs s ILE 84 N 2.95 2.47 -0.11 5.18 1.01 -1.26 -0.88 121.20 130.57 1brs s ILE 84 Ca 0.48 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1brs s ILE 84 Cb 0.09 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1brs s ILE 84 CO -0.02 0.58 -0.22 -0.89 0.00 0.00 0.00 174.94 174.39 1brs s THR 85 N -0.49 1.96 -0.12 2.92 2.01 0.58 -4.98 115.64 117.52 1brs s THR 85 Ca 0.06 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 1brs s THR 85 Cb -0.11 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1brs s THR 85 CO 0.01 0.54 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.72 1brs s ILE 86 N 0.54 3.13 -0.22 1.82 1.01 -1.26 -0.18 121.20 126.03 1brs s ILE 86 Ca -0.14 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1brs s ILE 86 Cb -0.17 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.03 1brs s ILE 86 CO 0.05 0.53 -0.15 -0.63 0.00 0.00 0.00 174.94 174.74 1brs s ILE 87 N 0.23 2.16 -0.43 2.92 1.01 0.76 -4.98 121.20 122.87 1brs s ILE 87 Ca -0.08 -1.28 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 1brs s ILE 87 Cb -0.15 -2.10 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1brs s ILE 87 CO 0.05 0.24 0.31 -0.76 0.00 0.00 0.00 174.94 174.78 1brs s LEU 88 N 1.20 5.29 0.00 2.97 1.43 -1.26 -0.43 118.68 127.88 1brs s LEU 88 Ca -0.02 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 1brs s LEU 88 Cb -0.17 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1brs s LEU 88 CO -0.09 -0.56 0.30 -1.54 0.23 0.00 0.00 176.35 174.69