#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m99 n GLN 7 N 0.00 1.89 0.00 0.00 7.27 -1.26 -4.43 117.38 120.85 3m99 n GLN 7 Ca 0.00 -1.25 0.00 0.00 0.07 0.00 0.00 57.00 55.82 3m99 n GLN 7 Cb 0.00 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.33 3m99 n GLN 7 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3m99 n LEU 8 N 0.48 0.46 -0.09 1.69 4.77 -1.26 -1.67 117.00 121.37 3m99 n LEU 8 Ca 0.12 -0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 55.77 3m99 n LEU 8 Cb 0.33 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 3m99 n LEU 8 CO 0.08 0.09 -1.08 1.17 -1.33 0.00 0.00 177.39 176.33 3m99 n LYS 9 N 0.50 0.68 0.04 3.23 3.00 -1.26 -3.89 118.16 120.46 3m99 n LYS 9 Ca 0.00 0.02 -0.19 0.00 -0.00 0.00 0.00 58.31 58.14 3m99 n LYS 9 Cb 0.09 -1.55 -0.14 0.00 0.00 0.00 0.00 35.03 33.43 3m99 n LYS 9 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 3m99 h SER 10 N 0.00 0.41 -0.63 3.14 0.02 -1.70 -3.23 113.55 111.55 3m99 h SER 10 Ca -0.51 -0.70 -0.07 0.00 -0.84 0.00 0.00 61.79 59.67 3m99 h SER 10 Cb 2.20 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 64.58 3m99 h SER 10 CO 0.03 1.61 0.15 1.56 -1.14 0.00 0.00 176.83 179.04 3m99 h GLN 11 N 0.07 1.04 0.00 3.45 4.20 -1.78 0.10 115.11 122.19 3m99 h GLN 11 Ca -0.33 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.09 3m99 h GLN 11 Cb 2.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 3m99 h GLN 11 CO 0.13 0.93 -0.24 0.97 -0.67 0.00 0.00 178.83 179.95 3m99 h ILE 12 N 0.99 0.68 0.07 2.54 -0.00 -1.70 -1.67 117.51 118.41 3m99 h ILE 12 Ca 0.21 -1.07 -0.24 0.00 -0.00 0.00 0.00 64.86 63.75 3m99 h ILE 12 Cb 0.36 1.69 -0.01 0.00 -0.00 0.00 0.00 36.82 38.86 3m99 h ILE 12 CO 0.00 0.24 -1.09 -0.61 -0.00 0.00 0.00 178.15 176.69 3m99 h GLN 13 N 0.00 0.22 -0.88 2.19 4.15 -1.44 -3.29 115.11 116.06 3m99 h GLN 13 Ca -0.00 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.10 3m99 h GLN 13 Cb 0.67 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 3m99 h GLN 13 CO 0.03 1.11 0.58 0.37 -1.93 0.00 0.00 178.83 179.00 3m99 h GLN 14 N 0.08 1.16 0.29 1.69 5.75 -0.05 -2.97 115.11 121.06 3m99 h GLN 14 Ca -0.09 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 3m99 h GLN 14 Cb 1.79 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 30.09 3m99 h GLN 14 CO 0.17 0.77 -0.14 -0.92 -2.65 0.00 0.00 178.83 176.06 3m99 h TYR 15 N 1.19 -0.36 -0.93 3.99 5.03 -1.54 -2.27 116.97 122.08 3m99 h TYR 15 Ca 0.32 -0.01 0.28 0.00 2.58 0.00 0.00 58.73 61.90 3m99 h TYR 15 Cb -0.14 0.12 -0.15 0.00 1.55 0.00 0.00 36.73 38.11 3m99 h TYR 15 CO -0.01 -0.12 0.31 -0.07 -1.32 0.00 0.00 178.16 176.94 3m99 h LEU 16 N -0.55 0.07 -0.15 2.82 4.07 -1.59 0.58 115.31 120.57 3m99 h LEU 16 Ca -0.04 0.21 -0.09 0.00 0.08 0.00 0.00 57.88 58.05 3m99 h LEU 16 Cb 0.40 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.42 3m99 h LEU 16 CO 0.07 -0.21 -0.26 0.58 -1.08 0.00 0.00 178.44 177.54 3m99 h VAL 17 N 0.18 1.36 0.00 1.22 2.07 -1.40 0.43 116.25 120.11 3m99 h VAL 17 Ca 0.63 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3m99 h VAL 17 Cb 1.37 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3m99 h VAL 17 CO -0.70 0.45 0.00 -0.33 0.02 0.00 0.00 177.57 177.01 3m99 h GLU 18 N 0.05 0.00 -0.39 1.57 4.39 -0.34 -2.16 114.58 117.70 3m99 h GLU 18 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3m99 h GLU 18 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3m99 h GLU 18 CO 0.06 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.78 3m99 n SER 19 N -2.85 3.23 -0.33 1.42 3.41 -0.35 -4.94 113.62 113.21 3m99 n SER 19 Ca -0.00 -1.93 -0.04 0.00 -0.26 0.00 0.00 58.87 56.64 3m99 n SER 19 Cb 0.19 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3m99 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m99 n GLY 20 N 1.19 0.53 0.00 5.00 0.00 -0.81 -4.82 105.19 106.28 3m99 n GLY 20 Ca 0.17 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3m99 n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m99 n ASN 21 N -0.70 0.37 0.06 1.61 4.13 -0.25 -3.45 115.26 117.02 3m99 n ASN 21 Ca -0.04 -0.06 -0.21 0.00 1.68 0.00 0.00 54.58 55.95 3m99 n ASN 21 Cb 0.42 0.04 -0.15 0.00 -1.54 0.00 0.00 39.78 38.55 3m99 n ASN 21 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3m99 h TYR 22 N 0.02 0.59 0.00 3.10 3.20 -1.28 -3.14 116.97 119.46 3m99 h TYR 22 Ca 0.00 -0.43 -0.09 0.00 3.14 0.00 0.00 58.73 61.35 3m99 h TYR 22 Cb 0.50 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3m99 h TYR 22 CO 0.00 1.35 -0.42 1.05 -1.64 0.00 0.00 178.16 178.50 3m99 h GLU 23 N -0.31 0.00 -0.40 1.82 4.11 -1.84 -1.81 114.58 116.15 3m99 h GLU 23 Ca -0.16 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.27 3m99 h GLU 23 Cb 1.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 3m99 h GLU 23 CO 0.16 0.42 0.27 1.25 0.07 0.00 0.00 179.01 181.17 3m99 h LEU 24 N 0.00 0.45 0.07 3.06 5.85 -1.61 -1.67 115.31 121.46 3m99 h LEU 24 Ca -0.00 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 3m99 h LEU 24 Cb 0.91 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3m99 h LEU 24 CO 0.05 0.32 -1.60 0.40 -0.34 0.00 0.00 178.44 177.28 3m99 h ILE 25 N 0.53 1.04 0.07 4.05 2.04 -1.32 -2.81 117.51 121.10 3m99 h ILE 25 Ca 0.15 -2.77 -0.00 0.00 1.00 0.00 0.00 64.86 63.24 3m99 h ILE 25 Cb -0.04 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3m99 h ILE 25 CO -0.03 0.75 -0.03 0.28 0.00 0.00 0.00 178.15 179.11 3m99 h SER 26 N 0.04 -0.08 0.13 1.72 0.02 -1.18 -1.74 113.55 112.46 3m99 h SER 26 Ca -0.26 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 3m99 h SER 26 Cb 1.99 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.55 3m99 h SER 26 CO 0.12 0.07 -0.06 0.78 -1.14 0.00 0.00 176.83 176.60 3m99 h ASN 27 N -0.22 -0.14 -0.54 3.07 2.35 -1.43 0.89 115.58 119.55 3m99 h ASN 27 Ca -0.01 -0.14 0.11 0.00 -0.55 0.00 0.00 56.30 55.71 3m99 h ASN 27 Cb 0.19 0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.50 3m99 h ASN 27 CO 0.02 0.05 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.44 3m99 h GLU 28 N -0.33 0.05 -0.12 0.81 4.39 -1.54 0.30 114.58 118.13 3m99 h GLU 28 Ca -0.02 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3m99 h GLU 28 Cb 0.27 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3m99 h GLU 28 CO 0.03 0.03 0.03 1.25 -1.16 0.00 0.00 179.01 179.19 3m99 h LEU 29 N 0.05 0.18 -0.37 1.33 5.85 -1.03 -2.02 115.31 119.30 3m99 h LEU 29 Ca 0.27 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.84 3m99 h LEU 29 Cb 0.41 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 3m99 h LEU 29 CO -0.51 0.35 -0.24 0.11 -0.34 0.00 0.00 178.44 177.82 3m99 h LYS 30 N -0.01 -0.17 0.29 1.25 1.57 0.16 -1.33 116.57 118.32 3m99 h LYS 30 Ca 0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3m99 h LYS 30 Cb 0.25 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3m99 h LYS 30 CO 0.00 -0.12 -0.29 0.00 -0.57 0.00 0.00 179.45 178.47 3m99 h ALA 31 N 0.99 -0.61 -0.91 3.86 0.00 -0.35 0.12 119.26 122.35 3m99 h ALA 31 Ca 0.18 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.17 3m99 h ALA 31 Cb 0.46 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3m99 h ALA 31 CO -0.47 -0.88 0.59 0.00 0.00 0.00 0.00 179.25 178.49 3m99 h ARG 32 N -0.61 0.55 -0.02 0.00 3.08 -1.17 -0.93 114.38 115.27 3m99 h ARG 32 Ca -0.01 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 3m99 h ARG 32 Cb 0.56 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3m99 h ARG 32 CO -0.06 0.36 -0.87 -0.07 -1.07 0.00 0.00 179.97 178.27 3m99 h LEU 33 N 0.57 0.44 -0.29 3.04 3.38 -0.43 -2.96 115.31 119.05 3m99 h LEU 33 Ca 0.48 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3m99 h LEU 33 Cb 0.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3m99 h LEU 33 CO -0.22 1.12 -0.56 0.25 0.09 0.00 0.00 178.44 179.12 3m99 h LEU 34 N 0.21 0.98 -0.53 1.67 5.85 0.35 -2.69 115.31 121.14 3m99 h LEU 34 Ca -0.06 -0.53 -0.16 0.00 0.84 0.00 0.00 57.88 57.97 3m99 h LEU 34 Cb 1.49 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3m99 h LEU 34 CO 0.15 1.33 -0.57 1.56 -0.34 0.00 0.00 178.44 180.56 3m99 h GLN 35 N 0.67 0.49 0.00 1.25 4.20 -1.30 -3.18 115.11 117.24 3m99 h GLN 35 Ca 0.01 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3m99 h GLN 35 Cb 1.17 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3m99 h GLN 35 CO 0.12 0.93 0.00 0.39 -0.67 0.00 0.00 178.83 179.60 3m99 n GLU 36 N -3.94 0.80 -1.52 1.46 1.02 -1.12 -4.83 120.64 112.52 3m99 n GLU 36 Ca -0.03 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 3m99 n GLU 36 Cb 0.61 -1.00 -0.08 0.00 -0.02 0.00 0.00 31.44 30.96 3m99 n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m99 n GLY 37 N 0.31 1.72 0.22 0.62 0.00 -1.20 -4.89 105.19 101.96 3m99 n GLY 37 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3m99 n GLY 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3m99 h TRP 38 N 0.00 -0.44 -0.55 1.61 7.01 -1.71 -1.45 115.95 120.41 3m99 h TRP 38 Ca -0.36 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 60.74 3m99 h TRP 38 Cb 1.16 0.14 -0.10 0.00 -2.10 0.00 0.00 29.16 28.26 3m99 h TRP 38 CO 0.50 -0.18 -0.05 0.28 -2.79 0.00 0.00 178.44 176.20 3m99 h VAL 39 N -1.06 0.51 -0.91 2.65 2.07 -1.82 0.40 116.25 118.09 3m99 h VAL 39 Ca -0.05 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3m99 h VAL 39 Cb 0.45 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3m99 h VAL 39 CO 0.08 0.01 0.60 0.44 0.02 0.00 0.00 177.57 178.72 3m99 h ASP 40 N 0.07 1.02 0.66 0.57 5.19 -1.88 -0.03 116.42 122.03 3m99 h ASP 40 Ca 0.28 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.51 3m99 h ASP 40 Cb 0.44 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3m99 h ASP 40 CO -0.51 0.72 -0.76 0.50 -3.12 0.00 0.00 179.24 176.07 3m99 h LYS 41 N 1.20 0.08 -0.05 3.56 3.64 0.29 -2.38 116.57 122.90 3m99 h LYS 41 Ca 0.35 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.44 3m99 h LYS 41 Cb -0.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3m99 h LYS 41 CO -0.09 0.80 -0.85 0.28 -2.27 0.00 0.00 179.45 177.32 3m99 h VAL 42 N 0.05 1.36 0.00 2.00 2.07 -0.09 -1.15 116.25 120.48 3m99 h VAL 42 Ca -0.02 -2.24 -0.03 0.00 0.82 0.00 0.00 66.70 65.24 3m99 h VAL 42 Cb 1.35 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 3m99 h VAL 42 CO 0.11 0.68 -0.13 0.11 0.02 0.00 0.00 177.57 178.36 3m99 h LYS 43 N 0.32 0.00 0.09 1.57 1.57 -0.85 -2.28 116.57 116.98 3m99 h LYS 43 Ca -0.06 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 3m99 h LYS 43 Cb 1.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 3m99 h LYS 43 CO 0.15 0.13 -1.23 -0.44 -0.57 0.00 0.00 179.45 177.48 3m99 h ASP 44 N 0.00 0.29 -1.03 0.86 3.45 -1.25 -3.28 116.42 115.46 3m99 h ASP 44 Ca -0.00 -0.82 0.27 0.00 0.43 0.00 0.00 57.03 56.91 3m99 h ASP 44 Cb 0.34 -0.09 -0.12 0.00 -0.56 0.00 0.00 39.33 38.90 3m99 h ASP 44 CO 0.02 1.53 0.63 0.25 -1.57 0.00 0.00 179.24 180.10 3m99 h LEU 45 N -0.48 0.57 -0.56 1.55 5.85 -1.12 0.95 115.31 122.07 3m99 h LEU 45 Ca -0.28 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3m99 h LEU 45 Cb 1.61 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 3m99 h LEU 45 CO 0.01 0.06 0.16 0.74 -0.34 0.00 0.00 178.44 179.07 3m99 h THR 46 N 0.48 1.24 0.00 1.05 2.02 -1.52 -2.92 112.91 113.26 3m99 h THR 46 Ca 0.65 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3m99 h THR 46 Cb 1.42 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3m99 h THR 46 CO -0.43 0.32 -0.22 0.11 0.37 0.00 0.00 175.52 175.66 3m99 h LYS 47 N 0.80 0.00 1.01 6.66 1.57 -0.89 -2.33 116.57 123.39 3m99 h LYS 47 Ca 0.18 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3m99 h LYS 47 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 3m99 h LYS 47 CO -0.00 0.22 -0.48 0.77 -0.57 0.00 0.00 179.45 179.39 3m99 h SER 48 N 0.00 -1.15 -0.92 0.86 0.02 -1.22 -1.67 113.55 109.48 3m99 h SER 48 Ca -0.00 0.04 0.22 0.00 -0.84 0.00 0.00 61.79 61.21 3m99 h SER 48 Cb 0.71 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 63.49 3m99 h SER 48 CO 0.03 -0.82 0.62 -0.33 -1.14 0.00 0.00 176.83 175.19 3m99 h GLU 49 N -1.36 0.32 -0.03 3.45 4.39 -1.39 0.95 114.58 120.92 3m99 h GLU 49 Ca -0.14 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.31 3m99 h GLU 49 Cb 1.04 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.62 3m99 h GLU 49 CO 0.23 0.21 -0.92 0.52 -1.16 0.00 0.00 179.01 177.89 3m99 h MET 50 N 0.33 0.52 0.18 2.33 2.86 -1.27 -0.71 114.93 119.17 3m99 h MET 50 Ca 0.48 -0.52 -0.34 0.00 -2.06 0.00 0.00 59.70 57.26 3m99 h MET 50 Cb 1.32 0.14 0.01 0.00 0.06 0.00 0.00 31.60 33.12 3m99 h MET 50 CO -0.16 1.15 -1.67 -0.91 1.06 0.00 0.00 176.91 176.38 3m99 h ASN 51 N 0.31 0.60 0.00 1.22 4.21 -0.37 -2.62 115.58 118.93 3m99 h ASN 51 Ca -0.08 -0.85 -0.00 0.00 1.21 0.00 0.00 56.30 56.58 3m99 h ASN 51 Cb 1.55 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.55 3m99 h ASN 51 CO 0.17 1.71 -0.00 0.40 -1.29 0.00 0.00 177.43 178.41 3m99 h ILE 52 N 0.10 0.00 0.00 2.81 2.04 0.81 -3.16 117.51 120.11 3m99 h ILE 52 Ca -0.31 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3m99 h ILE 52 Cb 2.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3m99 h ILE 52 CO 0.19 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.93 3m99 n ASN 53 N -2.00 0.00 -3.70 1.72 4.13 -0.27 -4.88 115.26 110.26 3m99 n ASN 53 Ca -0.00 -0.25 -0.29 0.00 1.68 0.00 0.00 54.58 55.72 3m99 n ASN 53 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 3m99 n ASN 53 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3m99 n GLU 54 N -0.94 -1.68 -3.59 3.52 0.00 -1.18 -4.99 120.64 111.79 3m99 n GLU 54 Ca 0.05 0.99 -0.11 0.00 0.00 0.00 0.00 57.16 58.09 3m99 n GLU 54 Cb 0.02 -2.22 -0.06 0.00 0.00 0.00 0.00 31.44 29.19 3m99 n GLU 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3m99 s SER 55 N -2.48 -0.41 -0.16 4.31 0.15 -0.99 -5.03 113.70 109.09 3m99 s SER 55 Ca 0.13 0.55 0.15 0.00 0.70 0.00 0.00 55.95 57.48 3m99 s SER 55 Cb -0.01 0.47 0.34 0.00 -1.71 0.00 0.00 66.02 65.11 3m99 s SER 55 CO 0.89 -0.31 1.18 0.35 1.20 0.00 0.00 173.24 176.55 3m99 n THR 56 N 1.14 1.91 -2.81 6.45 -2.24 -1.26 -4.34 114.28 113.13 3m99 n THR 56 Ca -0.11 -2.60 -0.42 0.00 -2.27 0.00 0.00 64.05 58.65 3m99 n THR 56 Cb 0.57 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 3m99 n THR 56 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3m99 s ASN 57 N -2.95 7.03 0.11 3.42 3.84 -1.26 -4.97 114.94 120.16 3m99 s ASN 57 Ca 0.34 1.27 -0.25 0.00 0.21 0.00 0.00 52.86 54.43 3m99 s ASN 57 Cb 0.32 -2.49 -0.08 0.00 -0.55 0.00 0.00 41.25 38.45 3m99 s ASN 57 CO -0.02 -0.46 1.67 0.15 -2.79 0.00 0.00 177.10 175.65 3m99 h PHE 58 N 7.32 -0.45 -0.92 0.43 3.57 -1.98 0.27 116.94 125.17 3m99 h PHE 58 Ca -0.28 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 3m99 h PHE 58 Cb 1.12 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 40.01 3m99 h PHE 58 CO 0.72 -0.25 0.54 1.15 -2.23 0.00 0.00 178.31 178.24 3m99 h THR 59 N -0.31 1.26 -0.07 4.41 2.02 -1.98 0.13 112.91 118.36 3m99 h THR 59 Ca 0.04 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3m99 h THR 59 Cb 0.35 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3m99 h THR 59 CO -0.13 0.27 -0.00 -0.61 0.37 0.00 0.00 175.52 175.42 3m99 h GLN 60 N 1.27 0.13 -0.03 6.66 -0.00 -1.88 -2.69 115.11 118.58 3m99 h GLN 60 Ca 0.33 -0.04 -0.17 0.00 -0.00 0.00 0.00 58.65 58.76 3m99 h GLN 60 Cb -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 3m99 h GLN 60 CO -0.06 0.41 -0.75 0.82 0.00 0.00 0.00 178.83 179.25 3m99 h ILE 61 N -0.16 1.44 -0.25 2.39 1.08 -0.80 -3.28 117.51 117.94 3m99 h ILE 61 Ca 0.02 -2.32 -0.07 0.00 -0.39 0.00 0.00 64.86 62.10 3m99 h ILE 61 Cb 0.35 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 3m99 h ILE 61 CO 0.00 0.68 -0.15 0.25 -0.69 0.00 0.00 178.15 178.24 3m99 h LEU 62 N 0.14 0.41 -1.85 1.44 5.85 -0.70 -2.41 115.31 118.20 3m99 h LEU 62 Ca -0.03 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3m99 h LEU 62 Cb 1.32 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3m99 h LEU 62 CO 0.11 0.59 -0.03 0.77 -0.34 0.00 0.00 178.44 179.55 3m99 h SER 63 N 0.40 0.00 0.00 1.25 4.64 -1.53 -1.03 113.55 117.27 3m99 h SER 63 Ca 0.07 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.08 3m99 h SER 63 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 3m99 h SER 63 CO 0.03 0.03 -2.16 0.35 -0.87 0.00 0.00 176.83 174.21 3m99 n THR 64 N -3.17 1.17 0.01 2.95 -2.24 -1.16 -4.57 114.28 107.27 3m99 n THR 64 Ca -0.01 -0.64 -0.18 0.00 -2.27 0.00 0.00 64.05 60.96 3m99 n THR 64 Cb 0.25 -0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 67.61 3m99 n THR 64 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3m99 h VAL 65 N 0.00 1.41 -0.21 2.28 2.07 -1.34 -3.33 116.25 117.12 3m99 h VAL 65 Ca -0.46 -2.13 0.02 0.00 0.82 0.00 0.00 66.70 64.96 3m99 h VAL 65 Cb 1.94 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 34.29 3m99 h VAL 65 CO -0.00 0.62 0.07 -0.08 0.02 0.00 0.00 177.57 178.20 3m99 h GLU 66 N -0.06 0.17 -0.33 1.57 4.81 -1.44 0.53 114.58 119.83 3m99 h GLU 66 Ca -0.09 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3m99 h GLU 66 Cb 1.38 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 3m99 h GLU 66 CO 0.13 0.11 0.19 -1.35 -0.73 0.00 0.00 179.01 177.36 3m99 h PRO 67 N 0.17 0.46 0.56 0.92 0.11 -1.81 0.02 132.00 132.43 3m99 h PRO 67 Ca 0.09 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 3m99 h PRO 67 Cb 0.06 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.09 3m99 h PRO 67 CO -0.10 0.37 -0.27 0.87 -0.21 0.00 0.00 178.00 178.66 3m99 h LYS 68 N 0.42 -0.73 0.00 1.05 1.57 -1.62 -2.24 116.57 115.02 3m99 h LYS 68 Ca 0.12 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3m99 h LYS 68 Cb 0.04 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3m99 h LYS 68 CO -0.02 -0.46 0.09 0.00 -0.57 0.00 0.00 179.45 178.49 3m99 n ALA 69 N -2.46 0.92 0.01 3.86 0.00 0.18 -0.74 120.51 122.29 3m99 n ALA 69 Ca -0.12 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 3m99 n ALA 69 Cb 0.32 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 3m99 n ALA 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m99 h LEU 70 N 0.00 0.10 -0.12 0.00 5.85 -0.40 -3.27 115.31 117.47 3m99 h LEU 70 Ca 0.00 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 3m99 h LEU 70 Cb 0.17 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3m99 h LEU 70 CO 0.00 1.15 -0.54 -0.33 -0.34 0.00 0.00 178.44 178.38 3m99 h GLU 71 N 0.02 0.00 0.00 1.25 4.39 -0.51 -3.34 114.58 116.39 3m99 h GLU 71 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3m99 h GLU 71 Cb 1.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 3m99 h GLU 71 CO 0.11 0.54 0.00 -0.12 -1.16 0.00 0.00 179.01 178.37 3m99 n MET 72 N -3.27 0.12 -2.20 2.33 1.56 -0.28 -4.69 117.12 110.69 3m99 n MET 72 Ca 0.02 0.46 -0.42 0.00 -0.27 0.00 0.00 57.70 57.49 3m99 n MET 72 Cb 0.73 -1.78 -0.03 0.00 2.15 0.00 0.00 33.22 34.29 3m99 n MET 72 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 3m99 s VAL 73 N -3.28 3.23 0.24 1.12 -7.23 -1.26 -4.96 120.40 108.26 3m99 s VAL 73 Ca 0.03 0.98 -0.31 0.00 -1.81 0.00 0.00 61.98 60.86 3m99 s VAL 73 Cb 0.07 -3.62 -0.13 0.00 0.56 0.00 0.00 36.38 33.26 3m99 s VAL 73 CO 0.27 0.13 1.47 -1.54 -0.31 0.00 0.00 175.10 175.12 3m99 n SER 74 N 2.98 3.01 0.12 4.85 3.41 -1.26 -4.83 113.62 121.90 3m99 n SER 74 Ca 0.08 1.13 0.09 0.00 -0.26 0.00 0.00 58.87 59.91 3m99 n SER 74 Cb 0.43 -1.46 0.47 0.00 -0.26 0.00 0.00 64.21 63.38 3m99 n SER 74 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3m99 n ASP 75 N 2.35 0.48 0.25 4.04 8.00 -1.26 -1.90 116.55 128.51 3m99 n ASP 75 Ca 0.12 0.69 -0.11 0.00 0.71 0.00 0.00 54.79 56.19 3m99 n ASP 75 Cb 0.32 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.60 3m99 n ASP 75 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3m99 h SER 76 N 0.00 -0.58 -0.15 -2.24 0.87 -2.00 -3.08 113.55 106.37 3m99 h SER 76 Ca 0.00 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3m99 h SER 76 Cb 0.11 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 3m99 h SER 76 CO 0.00 -0.17 -0.14 0.74 -0.53 0.00 0.00 176.83 176.73 3m99 h THR 77 N -1.15 0.62 -0.78 2.23 2.02 -1.75 -1.48 112.91 112.61 3m99 h THR 77 Ca -0.07 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.29 3m99 h THR 77 Cb 0.56 0.62 -0.13 0.00 -1.74 0.00 0.00 68.15 67.45 3m99 h THR 77 CO 0.12 0.00 0.05 -0.09 0.37 0.00 0.00 175.52 175.96 3m99 h ARG 78 N -0.16 0.12 0.38 6.66 2.43 -1.59 -1.19 114.38 121.03 3m99 h ARG 78 Ca 0.10 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3m99 h ARG 78 Cb 0.30 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3m99 h ARG 78 CO -0.24 0.08 -0.18 1.49 -1.51 0.00 0.00 179.97 179.61 3m99 h GLU 79 N 0.12 -0.49 -0.65 0.20 4.57 -1.20 -1.11 114.58 116.02 3m99 h GLU 79 Ca 0.44 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.72 3m99 h GLU 79 Cb 0.80 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.44 3m99 h GLU 79 CO -0.67 -0.17 0.34 1.79 -1.18 0.00 0.00 179.01 179.12 3m99 h THR 80 N -0.88 0.92 -0.08 0.32 1.35 -1.12 0.40 112.91 113.81 3m99 h THR 80 Ca -0.05 -0.21 -0.20 0.00 -0.55 0.00 0.00 66.41 65.40 3m99 h THR 80 Cb 0.54 0.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.21 3m99 h THR 80 CO 0.09 0.11 -0.77 0.58 -0.25 0.00 0.00 175.52 175.28 3m99 h VAL 81 N 0.61 1.36 -0.39 6.82 2.07 -1.28 -1.06 116.25 124.39 3m99 h VAL 81 Ca 0.30 -2.14 -0.15 0.00 0.82 0.00 0.00 66.70 65.53 3m99 h VAL 81 Cb 0.24 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3m99 h VAL 81 CO -0.21 0.65 -0.35 0.25 0.02 0.00 0.00 177.57 177.93 3m99 h LEU 82 N 0.33 0.95 -1.15 2.57 5.85 -1.00 -1.66 115.31 121.19 3m99 h LEU 82 Ca -0.04 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3m99 h LEU 82 Cb 1.36 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3m99 h LEU 82 CO 0.14 1.20 0.15 0.50 -0.34 0.00 0.00 178.44 180.08 3m99 h LYS 83 N 0.74 0.74 -0.45 1.25 3.11 -0.81 -0.90 116.57 120.25 3m99 h LYS 83 Ca 0.07 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.72 3m99 h LYS 83 Cb 0.93 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 3m99 h LYS 83 CO 0.09 0.65 0.05 0.37 -2.81 0.00 0.00 179.45 177.79 3m99 h GLN 84 N 0.72 0.77 -0.14 1.90 4.15 -1.01 -3.00 115.11 118.50 3m99 h GLN 84 Ca 0.17 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.40 3m99 h GLN 84 Cb 0.23 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3m99 h GLN 84 CO -0.01 0.80 -0.08 0.82 -1.93 0.00 0.00 178.83 178.44 3m99 h ILE 85 N 0.62 0.75 -0.09 2.39 1.08 -0.47 -3.20 117.51 118.60 3m99 h ILE 85 Ca 0.13 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 3m99 h ILE 85 Cb 0.43 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 3m99 h ILE 85 CO 0.01 0.00 -0.23 0.03 -0.69 0.00 0.00 178.15 177.27 3m99 h ARG 86 N -0.07 -0.31 0.00 2.37 3.08 -1.10 -1.23 114.38 117.12 3m99 h ARG 86 Ca 0.08 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3m99 h ARG 86 Cb 0.19 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3m99 h ARG 86 CO -0.19 -0.20 0.00 -1.91 -1.07 0.00 0.00 179.97 176.60 3m99 n GLU 87 N -5.36 0.16 -0.03 0.04 2.13 -1.14 -1.10 120.64 115.33 3m99 n GLU 87 Ca -0.03 0.16 -0.17 0.00 0.66 0.00 0.00 57.16 57.77 3m99 n GLU 87 Cb 0.28 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.35 3m99 n GLU 87 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3m99 n PHE 88 N -1.23 0.87 -0.18 4.31 0.99 -0.49 -4.26 117.46 117.47 3m99 n PHE 88 Ca 0.05 0.21 -0.04 0.00 -0.00 0.00 0.00 57.45 57.67 3m99 n PHE 88 Cb 0.06 -1.12 0.16 0.00 -1.00 0.00 0.00 39.48 37.58 3m99 n PHE 88 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3m99 h LEU 89 N 0.04 0.87 0.00 4.37 4.07 -0.83 -1.34 115.31 122.49 3m99 h LEU 89 Ca -0.44 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.38 3m99 h LEU 89 Cb 2.02 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.53 3m99 h LEU 89 CO 0.05 0.82 0.00 -0.62 -1.08 0.00 0.00 178.44 177.61 3m99 n GLU 90 N -4.28 0.62 0.06 1.13 1.02 -1.05 -0.84 120.64 117.30 3m99 n GLU 90 Ca 0.05 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 3m99 n GLU 90 Cb 0.21 -1.39 0.08 0.00 -0.02 0.00 0.00 31.44 30.32 3m99 n GLU 90 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3m99 n GLU 91 N -0.89 0.37 -0.36 3.49 -0.58 -0.50 -4.41 120.64 117.77 3m99 n GLU 91 Ca 0.11 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 3m99 n GLU 91 Cb 0.05 -1.69 0.01 0.00 -0.57 0.00 0.00 31.44 29.24 3m99 n GLU 91 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3m99 n ILE 92 N -2.20 0.08 -3.80 -3.67 -5.35 -0.02 -5.06 119.36 99.34 3m99 n ILE 92 Ca 0.02 -0.10 -0.20 0.00 -0.27 0.00 0.00 62.75 62.20 3m99 n ILE 92 Cb 0.47 0.59 -0.17 0.00 -1.74 0.00 0.00 39.64 38.79 3m99 n ILE 92 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3m99 s VAL 93 N -0.12 0.14 0.24 7.28 1.01 -0.30 -5.08 120.40 123.56 3m99 s VAL 93 Ca 0.01 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3m99 s VAL 93 Cb 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 36.00 3m99 s VAL 93 CO 0.00 0.19 1.12 -1.81 0.00 0.00 0.00 175.10 174.60 3m99 s ASP 94 N 1.67 7.23 0.00 3.32 1.01 -1.26 -4.72 116.67 123.92 3m99 s ASP 94 Ca -0.01 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.48 3m99 s ASP 94 Cb -0.13 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3m99 s ASP 94 CO -0.03 -0.21 0.00 1.07 0.21 0.00 0.00 175.17 176.21 3m99 n THR 95 N 1.73 0.00 -0.55 -1.27 5.66 -1.26 -5.16 114.28 113.44 3m99 n THR 95 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 3m99 n THR 95 Cb 0.45 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 3m99 n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02