#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rmj s TYR -26 N 0.00 1.78 0.51 1.43 5.04 -1.26 -4.75 117.35 120.10 1rmj s TYR -26 Ca 0.00 0.78 0.20 0.00 -2.44 0.00 0.00 57.07 55.61 1rmj s TYR -26 Cb 0.00 -3.93 1.28 0.00 0.35 0.00 0.00 41.96 39.66 1rmj s TYR -26 CO 0.00 -1.41 2.04 1.88 -1.34 0.00 0.00 175.55 176.72 1rmj h TYR -25 N 10.71 0.09 -0.72 4.97 -1.99 -2.06 -2.28 116.97 125.69 1rmj h TYR -25 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1rmj h TYR -25 Cb 0.97 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.64 1rmj h TYR -25 CO 1.20 0.05 0.47 0.45 -0.00 0.00 0.00 178.16 180.32 1rmj h HIS -24 N 0.09 0.92 -3.40 4.88 3.86 -2.07 -3.29 115.15 116.15 1rmj h HIS -24 Ca 0.19 0.02 -0.74 0.00 -1.16 0.00 0.00 60.37 58.67 1rmj h HIS -24 Cb 0.63 -0.31 -0.32 0.00 1.06 0.00 0.00 27.41 28.46 1rmj h HIS -24 CO -0.00 0.59 0.14 1.58 0.86 0.00 0.00 177.93 181.10 1rmj n HIS -23 N -4.57 4.63 -2.20 2.45 -0.00 -0.86 -4.93 115.22 109.74 1rmj n HIS -23 Ca 0.07 -4.03 -0.42 0.00 -0.00 0.00 0.00 57.72 53.34 1rmj n HIS -23 Cb 0.02 -1.36 0.00 0.00 -0.00 0.00 0.00 29.99 28.65 1rmj n HIS -23 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1rmj n HIS -22 N 2.42 2.86 -3.72 1.57 8.25 -1.24 -4.90 115.22 120.45 1rmj n HIS -22 Ca 0.23 -2.81 0.00 0.00 -0.26 0.00 0.00 57.72 54.88 1rmj n HIS -22 Cb 0.38 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.53 1rmj n HIS -22 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1rmj n HIS -21 N 3.46 0.00 -4.26 4.41 8.25 -1.26 -4.84 115.22 120.98 1rmj n HIS -21 Ca 0.46 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.58 1rmj n HIS -21 Cb 0.33 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 1rmj n HIS -21 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1rmj n HIS -20 N 0.00 -1.50 -2.03 4.41 -0.00 -1.26 -4.78 115.22 110.05 1rmj n HIS -20 Ca 0.00 0.73 -0.41 0.00 -0.00 0.00 0.00 57.72 58.04 1rmj n HIS -20 Cb 0.00 -2.83 -0.01 0.00 -0.00 0.00 0.00 29.99 27.15 1rmj n HIS -20 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1rmj n HIS -19 N -4.35 3.68 -1.51 4.41 -0.00 -1.26 -4.85 115.22 111.33 1rmj n HIS -19 Ca -0.07 -2.60 -0.37 0.00 -0.00 0.00 0.00 57.72 54.68 1rmj n HIS -19 Cb 0.56 -2.49 -0.06 0.00 -0.00 0.00 0.00 29.99 27.99 1rmj n HIS -19 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1rmj n ASP -18 N 8.18 2.71 -0.00 0.41 8.00 -1.26 -4.54 116.55 130.04 1rmj n ASP -18 Ca 0.50 -2.68 0.11 0.00 0.71 0.00 0.00 54.79 53.42 1rmj n ASP -18 Cb 0.43 -1.36 0.07 0.00 -0.02 0.00 0.00 41.12 40.24 1rmj n ASP -18 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1rmj n TYR -17 N 10.43 0.00 -3.76 1.24 4.02 -1.26 -4.74 117.16 123.08 1rmj n TYR -17 Ca 0.48 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 58.00 1rmj n TYR -17 Cb 0.43 -0.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.51 1rmj n TYR -17 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1rmj s ASP -16 N -2.99 5.27 0.08 7.72 2.15 -1.26 -5.08 116.67 122.56 1rmj s ASP -16 Ca 0.10 -1.92 -0.19 0.00 0.43 0.00 0.00 52.55 50.96 1rmj s ASP -16 Cb 0.17 -1.84 -0.07 0.00 -0.30 0.00 0.00 42.92 40.88 1rmj s ASP -16 CO 0.78 -0.53 0.57 -0.63 -0.17 0.00 0.00 175.17 175.19 1rmj s ILE -15 N 1.18 4.74 0.02 4.11 -1.09 -1.26 -5.01 121.20 123.89 1rmj s ILE -15 Ca 0.07 1.20 -0.30 0.00 -2.23 0.00 0.00 60.65 59.38 1rmj s ILE -15 Cb -0.23 -3.89 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 1rmj s ILE -15 CO -0.03 0.53 1.61 -2.16 -1.23 0.00 0.00 174.94 173.67 1rmj s PRO -14 N -1.17 4.21 -0.01 2.79 0.04 -1.26 -4.93 135.00 134.66 1rmj s PRO -14 Ca 0.30 2.23 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 1rmj s PRO -14 Cb -0.19 -3.71 -0.07 0.00 0.04 0.00 0.00 34.50 30.57 1rmj s PRO -14 CO 0.19 -0.74 1.69 0.95 0.04 0.00 0.00 177.00 179.13 1rmj s THR -13 N 3.02 3.39 -0.18 1.26 -4.23 -1.26 -4.90 115.64 112.74 1rmj s THR -13 Ca 0.72 0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 61.66 1rmj s THR -13 Cb -0.37 -3.37 -0.07 0.00 1.34 0.00 0.00 72.50 70.03 1rmj s THR -13 CO 0.31 -0.04 -0.25 0.35 -0.54 0.00 0.00 174.62 174.45 1rmj n THR -12 N 5.29 1.48 0.19 3.99 -2.24 -1.26 -4.45 114.28 117.28 1rmj n THR -12 Ca 0.17 0.08 0.18 0.00 -2.27 0.00 0.00 64.05 62.21 1rmj n THR -12 Cb 0.42 -2.27 0.76 0.00 -2.10 0.00 0.00 70.33 67.14 1rmj n THR -12 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1rmj h GLU -11 N -1.00 0.00 0.00 -0.78 3.07 -2.03 0.94 114.58 114.78 1rmj h GLU -11 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1rmj h GLU -11 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1rmj h GLU -11 CO -0.08 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 177.80 1rmj n ASN -10 N -3.36 0.59 -0.64 1.42 0.23 -1.26 -2.25 115.26 109.99 1rmj n ASN -10 Ca 0.03 0.64 0.13 0.00 -0.53 0.00 0.00 54.58 54.85 1rmj n ASN -10 Cb 0.53 -0.76 0.39 0.00 -2.08 0.00 0.00 39.78 37.85 1rmj n ASN -10 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1rmj n LEU -9 N -2.14 1.99 -0.29 -4.53 4.77 0.32 -4.09 117.00 113.04 1rmj n LEU -9 Ca 0.03 -0.70 0.09 0.00 -0.03 0.00 0.00 56.01 55.39 1rmj n LEU -9 Cb 0.24 -0.03 0.40 0.00 -2.33 0.00 0.00 43.42 41.70 1rmj n LEU -9 CO 0.20 0.35 0.77 0.00 -1.33 0.00 0.00 177.39 177.39 1rmj n TYR -8 N 0.55 0.13 -4.62 -1.77 9.36 -0.95 -4.82 117.16 115.03 1rmj n TYR -8 Ca 0.17 -0.06 -0.24 0.00 3.32 0.00 0.00 57.90 61.09 1rmj n TYR -8 Cb 0.42 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.99 1rmj n TYR -8 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1rmj s PHE -7 N -1.87 1.61 0.00 2.98 0.08 -1.26 -5.07 117.98 114.45 1rmj s PHE -7 Ca 0.27 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1rmj s PHE -7 Cb 0.14 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1rmj s PHE -7 CO 0.21 0.05 0.00 1.04 -0.10 0.00 0.00 175.22 176.42 1rmj n GLN -6 N 2.06 0.00 0.00 0.44 6.02 -1.26 -5.00 117.38 119.63 1rmj n GLN -6 Ca -0.17 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1rmj n GLN -6 Cb 0.54 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 31.22 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rmj n GLY -5 N 2.22 1.09 0.00 1.08 0.00 -1.26 -5.02 105.19 103.29 1rmj n GLY -5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj n ALA -4 N -3.00 0.00 -2.52 4.61 0.00 -1.26 -5.01 120.51 113.33 1rmj n ALA -4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rmj n ALA -4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rmj n ALA -4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rmj n MET -3 N -0.51 3.15 -1.62 0.00 -0.00 -1.26 -4.91 117.12 111.97 1rmj n MET -3 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.39 1rmj n MET -3 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 33.22 33.19 1rmj n MET -3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rmj n GLY -2 N 5.00 4.71 3.85 3.17 0.00 0.26 -4.33 105.19 117.85 1rmj n GLY -2 Ca 0.00 -2.07 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 1rmj n GLY -2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rmj n SER -1 N 0.44 -1.74 -4.76 1.61 7.64 -1.26 -4.47 113.62 111.07 1rmj n SER -1 Ca 0.50 -0.66 -0.23 0.00 1.01 0.00 0.00 58.87 59.49 1rmj n SER -1 Cb 0.45 -0.80 0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1rmj n SER -1 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rmj s GLY 1 N -4.19 1.77 0.32 0.23 0.00 -1.25 -4.90 107.32 99.30 1rmj s GLY 1 Ca 0.22 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1rmj s GLY 1 CO 0.50 -1.11 1.93 -0.56 0.00 0.00 0.00 173.10 173.85 1rmj h PRO 2 N -0.39 0.85 -0.24 2.90 0.13 -1.79 -1.65 132.00 131.81 1rmj h PRO 2 Ca -0.38 -0.10 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1rmj h PRO 2 Cb 1.28 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1rmj h PRO 2 CO 0.44 0.65 -0.35 0.00 -0.23 0.00 0.00 178.00 178.51 1rmj h ARG 4 N 0.36 0.45 -0.76 0.00 9.65 -0.61 0.56 114.38 124.03 1rmj h ARG 4 Ca 0.02 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1rmj h ARG 4 Cb 0.93 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.38 1rmj h ARG 4 CO 0.08 0.30 0.45 0.00 2.80 0.00 0.00 179.97 183.59 1rmj h ARG 5 N 0.46 1.03 -0.52 0.20 3.08 -1.22 -1.99 114.38 115.42 1rmj h ARG 5 Ca 0.25 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 1rmj h ARG 5 Cb 0.20 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1rmj h ARG 5 CO -0.20 0.74 0.10 0.45 -1.07 0.00 0.00 179.97 179.99 1rmj h HIS 6 N 1.04 0.91 0.04 3.04 3.86 -0.26 -1.97 115.15 121.81 1rmj h HIS 6 Ca 0.27 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1rmj h HIS 6 Cb -0.02 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1rmj h HIS 6 CO -0.01 0.81 -0.15 -0.07 0.86 0.00 0.00 177.93 179.37 1rmj h LEU 7 N 0.74 -0.43 -0.42 2.43 3.38 0.63 1.26 115.31 122.91 1rmj h LEU 7 Ca 0.16 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1rmj h LEU 7 Cb 0.38 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1rmj h LEU 7 CO 0.01 -0.21 0.25 -0.78 0.09 0.00 0.00 178.44 177.80 1rmj h ASP 8 N -0.27 0.41 -0.07 -0.43 1.82 -1.31 0.99 116.42 117.57 1rmj h ASP 8 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1rmj h ASP 8 Cb 0.31 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 1rmj h ASP 8 CO -0.12 0.29 0.01 0.28 -1.61 0.00 0.00 179.24 178.09 1rmj h SER 9 N 0.51 0.11 -0.59 2.28 0.02 -0.91 0.14 113.55 115.11 1rmj h SER 9 Ca 0.17 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1rmj h SER 9 Cb 0.01 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1rmj h SER 9 CO -0.07 0.34 0.33 0.58 -1.14 0.00 0.00 176.83 176.86 1rmj h VAL 10 N -0.13 1.19 -0.03 2.27 2.07 0.19 0.31 116.25 122.11 1rmj h VAL 10 Ca 0.02 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1rmj h VAL 10 Cb 0.28 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1rmj h VAL 10 CO 0.00 0.20 -0.05 -0.07 0.02 0.00 0.00 177.57 177.68 1rmj h LEU 11 N 0.79 -0.15 -0.39 2.57 -0.00 0.12 2.08 115.31 120.34 1rmj h LEU 11 Ca 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.10 1rmj h LEU 11 Cb 0.03 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1rmj h LEU 11 CO -0.03 -0.07 0.20 1.56 -0.00 0.00 0.00 178.44 180.09 1rmj h GLN 12 N -0.07 0.55 -0.04 1.13 1.08 -0.37 -2.68 115.11 114.70 1rmj h GLN 12 Ca 0.03 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.02 1rmj h GLN 12 Cb 0.12 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1rmj h GLN 12 CO -0.07 0.47 -0.59 1.96 -0.95 0.00 0.00 178.83 179.65 1rmj h GLN 13 N 0.49 0.13 -0.76 1.46 4.20 0.00 -3.30 115.11 117.33 1rmj h GLN 13 Ca 0.13 -0.09 0.17 0.00 0.06 0.00 0.00 58.65 58.92 1rmj h GLN 13 Cb 0.09 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.78 1rmj h GLN 13 CO -0.02 0.68 0.22 1.25 -0.67 0.00 0.00 178.83 180.30 1rmj h LEU 14 N 0.10 0.09 -0.48 1.46 6.46 0.37 2.08 115.31 125.39 1rmj h LEU 14 Ca -0.01 0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1rmj h LEU 14 Cb 1.07 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1rmj h LEU 14 CO 0.08 -0.01 -0.31 -0.61 -0.62 0.00 0.00 178.44 176.97 1rmj h GLN 15 N 0.31 0.00 0.08 1.25 5.75 -1.63 -2.00 115.11 118.87 1rmj h GLN 15 Ca 0.44 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.59 1rmj h GLN 15 Cb 0.75 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 1rmj h GLN 15 CO -0.50 0.31 -1.97 2.41 -2.65 0.00 0.00 178.83 176.43 1rmj n THR 16 N -3.27 1.69 -0.94 2.39 -1.04 -0.05 -4.21 114.28 108.84 1rmj n THR 16 Ca 0.01 -0.53 -0.22 0.00 -2.04 0.00 0.00 64.05 61.27 1rmj n THR 16 Cb 0.57 -1.75 0.13 0.00 -1.82 0.00 0.00 70.33 67.47 1rmj n THR 16 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rmj n GLU 17 N -3.64 2.13 -0.34 -2.82 1.02 0.69 -4.66 120.64 113.02 1rmj n GLU 17 Ca -0.35 -2.58 0.13 0.00 -0.02 0.00 0.00 57.16 54.34 1rmj n GLU 17 Cb 0.97 -2.01 0.32 0.00 -0.02 0.00 0.00 31.44 30.70 1rmj n GLU 17 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1rmj h VAL 18 N 0.87 0.64 0.00 2.62 -1.51 -1.50 -2.99 116.25 114.38 1rmj h VAL 18 Ca 0.53 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1rmj h VAL 18 Cb 2.21 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1rmj h VAL 18 CO 1.02 0.12 0.00 0.00 -1.23 0.00 0.00 177.57 177.48 1rmj n TYR 19 N -4.84 0.00 -0.16 5.19 4.11 0.15 -1.02 117.16 120.58 1rmj n TYR 19 Ca 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 58.08 1rmj n TYR 19 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.95 1rmj n TYR 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1rmj h ARG 20 N 0.00 -0.16 0.00 -3.48 -0.00 -1.81 -3.39 114.38 105.55 1rmj h ARG 20 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1rmj h ARG 20 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1rmj h ARG 20 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 179.97 180.28 1rmj n GLY 21 N -1.42 0.18 0.43 0.04 0.00 -1.24 -4.88 105.19 98.29 1rmj n GLY 21 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1rmj n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj n ALA 22 N -1.70 1.40 -0.28 4.61 0.00 -1.26 -4.80 120.51 118.49 1rmj n ALA 22 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1rmj n ALA 22 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1rmj n ALA 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rmj n GLN 23 N -3.08 1.98 -0.39 0.00 6.02 -0.19 -0.68 117.38 121.03 1rmj n GLN 23 Ca -0.03 -1.17 -0.05 0.00 -0.01 0.00 0.00 57.00 55.74 1rmj n GLN 23 Cb 0.11 -0.86 -0.06 0.00 1.02 0.00 0.00 30.24 30.45 1rmj n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1rmj n THR 24 N -0.34 1.19 -2.29 5.09 -1.04 -0.92 -3.58 114.28 112.40 1rmj n THR 24 Ca 0.00 -0.61 -0.34 0.00 -2.04 0.00 0.00 64.05 61.07 1rmj n THR 24 Cb 0.30 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 67.10 1rmj n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rmj s LEU 25 N 0.00 3.69 -0.42 -4.42 1.02 0.18 -4.00 118.68 114.74 1rmj s LEU 25 Ca 0.26 1.93 -0.29 0.00 0.02 0.00 0.00 54.13 56.06 1rmj s LEU 25 Cb 0.12 -4.55 0.01 0.00 0.02 0.00 0.00 46.19 41.79 1rmj s LEU 25 CO -0.00 -1.02 1.44 -0.47 0.02 0.00 0.00 176.35 176.31 1rmj s TYR 26 N -2.13 2.35 -0.26 0.29 6.14 -1.26 0.11 117.35 122.59 1rmj s TYR 26 Ca 0.67 0.66 -0.09 0.00 0.64 0.00 0.00 57.07 58.95 1rmj s TYR 26 Cb -0.18 -4.31 -0.04 0.00 0.42 0.00 0.00 41.96 37.85 1rmj s TYR 26 CO 0.28 -2.03 0.13 0.08 0.64 0.00 0.00 175.55 174.64 1rmj s VAL 27 N 5.58 4.80 0.29 3.14 1.01 0.69 -4.88 120.40 131.03 1rmj s VAL 27 Ca 0.62 -0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 1rmj s VAL 27 Cb -0.14 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 1rmj s VAL 27 CO 0.32 0.30 0.70 -2.16 0.00 0.00 0.00 175.10 174.27 1rmj s PRO 28 N 1.63 4.01 -0.19 2.72 0.04 -1.26 -1.99 135.00 139.96 1rmj s PRO 28 Ca 0.07 0.64 -0.08 0.00 0.04 0.00 0.00 61.00 61.67 1rmj s PRO 28 Cb -0.15 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1rmj s PRO 28 CO 0.07 0.22 0.07 1.21 0.04 0.00 0.00 177.00 178.60 1rmj s ASN 29 N -2.19 5.58 0.09 6.66 2.47 0.23 -4.83 114.94 122.95 1rmj s ASN 29 Ca 0.51 0.04 0.10 0.00 0.42 0.00 0.00 52.86 53.94 1rmj s ASN 29 Cb -0.11 -1.96 -0.03 0.00 -1.45 0.00 0.00 41.25 37.69 1rmj s ASN 29 CO 0.18 0.14 -0.26 0.00 -3.72 0.00 0.00 177.10 173.44 1rmj s ASP 31 N -1.70 4.42 0.59 0.00 -4.77 -0.98 -4.82 116.67 109.41 1rmj s ASP 31 Ca 0.13 -0.58 0.29 0.00 -3.30 0.00 0.00 52.55 49.09 1rmj s ASP 31 Cb -0.10 0.24 1.34 0.00 -1.09 0.00 0.00 42.92 43.30 1rmj s ASP 31 CO 0.04 -1.83 1.72 0.45 0.70 0.00 0.00 175.17 176.26 1rmj h HIS 32 N -0.41 0.00 0.00 2.11 3.86 -1.94 0.95 115.15 119.72 1rmj h HIS 32 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1rmj h HIS 32 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1rmj h HIS 32 CO -0.10 0.00 0.00 -2.13 0.86 0.00 0.00 177.93 176.56 1rmj n ARG 33 N -3.58 1.00 -0.73 2.45 3.00 -1.26 0.92 116.66 118.45 1rmj n ARG 33 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1rmj n ARG 33 Cb 0.95 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rmj n GLY 34 N 0.79 0.36 3.93 5.14 0.00 0.33 -3.85 105.19 111.89 1rmj n GLY 34 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1rmj n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rmj s PHE 35 N -2.04 3.20 -1.06 1.61 0.40 -1.26 0.37 117.98 119.20 1rmj s PHE 35 Ca 0.00 0.52 -0.23 0.00 -0.60 0.00 0.00 56.93 56.63 1rmj s PHE 35 Cb 0.00 -2.70 0.00 0.00 0.51 0.00 0.00 43.02 40.83 1rmj s PHE 35 CO 0.00 -0.79 1.74 0.71 0.70 0.00 0.00 175.22 177.58 1rmj s TYR 36 N -2.92 2.25 -0.06 0.36 2.02 -1.11 -2.32 117.35 115.57 1rmj s TYR 36 Ca 0.53 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1rmj s TYR 36 Cb -0.10 -4.39 -0.01 0.00 -0.40 0.00 0.00 41.96 37.06 1rmj s TYR 36 CO 0.43 -1.73 0.10 -0.09 -1.57 0.00 0.00 175.55 172.69 1rmj h ARG 37 N 9.86 -0.07 0.00 -0.62 2.43 -1.63 -3.10 114.38 121.26 1rmj h ARG 37 Ca 0.21 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.96 1rmj h ARG 37 Cb 0.97 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 1rmj h ARG 37 CO 1.33 -0.04 -2.37 1.17 -1.51 0.00 0.00 179.97 178.55 1rmj n LYS 38 N -3.92 0.58 -4.54 0.20 4.81 -1.26 -3.93 118.16 110.11 1rmj n LYS 38 Ca -0.01 0.28 -0.29 0.00 -0.87 0.00 0.00 58.31 57.42 1rmj n LYS 38 Cb 0.03 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 33.43 1rmj n LYS 38 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1rmj s ARG 39 N -2.52 1.51 -0.05 1.64 3.52 -1.26 -0.43 118.95 121.36 1rmj s ARG 39 Ca -0.38 -1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 53.93 1rmj s ARG 39 Cb 0.14 -1.91 0.04 0.00 -1.56 0.00 0.00 34.95 31.65 1rmj s ARG 39 CO 0.49 0.47 0.10 -0.65 -0.81 0.00 0.00 175.30 174.90 1rmj s GLN 40 N -1.81 0.01 0.02 5.12 -1.52 -1.06 0.74 119.66 121.16 1rmj s GLN 40 Ca 0.13 0.39 -0.06 0.00 -1.95 0.00 0.00 55.36 53.87 1rmj s GLN 40 Cb -0.10 -0.30 -0.01 0.00 -0.22 0.00 0.00 33.01 32.39 1rmj s GLN 40 CO 0.05 -0.24 0.11 0.00 -0.25 0.00 0.00 175.29 174.95 1rmj s ARG 42 N -2.02 3.84 0.20 0.00 1.81 -0.99 -0.22 118.95 121.56 1rmj s ARG 42 Ca -0.10 0.88 0.08 0.00 -1.72 0.00 0.00 55.73 54.88 1rmj s ARG 42 Cb -0.04 -3.86 -0.05 0.00 -0.45 0.00 0.00 34.95 30.55 1rmj s ARG 42 CO -0.02 -1.21 -0.16 -1.12 -0.68 0.00 0.00 175.30 172.11 1rmj s SER 43 N 2.44 2.66 0.19 0.23 0.01 0.30 0.80 113.70 120.33 1rmj s SER 43 Ca 0.50 -0.97 0.10 0.00 1.31 0.00 0.00 55.95 56.89 1rmj s SER 43 Cb -0.11 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1rmj s SER 43 CO 0.25 -0.12 -0.15 -0.94 0.41 0.00 0.00 173.24 172.69 1rmj s SER 44 N -3.13 3.93 0.56 2.44 1.04 -1.23 0.50 113.70 117.81 1rmj s SER 44 Ca 0.21 -0.70 0.25 0.00 0.48 0.00 0.00 55.95 56.19 1rmj s SER 44 Cb -0.02 -0.54 1.52 0.00 0.10 0.00 0.00 66.02 67.08 1rmj s SER 44 CO 0.07 0.11 2.11 0.06 0.98 0.00 0.00 173.24 176.57 1rmj h GLN 45 N 2.98 0.00 0.00 4.02 3.07 -1.91 -3.39 115.11 119.88 1rmj h GLN 45 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1rmj h GLN 45 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1rmj h GLN 45 CO 0.52 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.85 1rmj n GLY 46 N -1.48 0.71 0.65 0.06 0.00 -1.26 -4.97 105.19 98.90 1rmj n GLY 46 Ca 0.02 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.71 1rmj n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rmj n GLN 47 N 0.00 2.21 0.00 1.61 6.02 -1.26 -4.46 117.38 121.49 1rmj n GLN 47 Ca 0.00 -1.85 0.14 0.00 -0.01 0.00 0.00 57.00 55.28 1rmj n GLN 47 Cb 0.00 -1.28 0.66 0.00 1.02 0.00 0.00 30.24 30.64 1rmj n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rmj n ARG 48 N 0.66 0.23 -0.74 -1.09 5.12 -1.26 -4.92 116.66 114.65 1rmj n ARG 48 Ca 0.11 -0.02 -0.32 0.00 -1.93 0.00 0.00 57.85 55.69 1rmj n ARG 48 Cb 0.41 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.15 1rmj n ARG 48 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1rmj n ARG 49 N -1.37 0.00 -3.56 5.56 1.85 -1.26 -4.73 116.66 113.14 1rmj n ARG 49 Ca 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.88 1rmj n ARG 49 Cb 0.29 -0.77 -0.03 0.00 -1.05 0.00 0.00 32.46 30.91 1rmj n ARG 49 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1rmj s GLY 50 N 2.47 -0.33 0.17 2.89 0.00 0.24 -4.68 107.32 108.08 1rmj s GLY 50 Ca 0.58 1.56 -0.04 0.00 0.00 0.00 0.00 44.72 46.82 1rmj s GLY 50 CO 0.37 0.61 0.40 2.56 0.00 0.00 0.00 173.10 177.04 1rmj s PRO 51 N -2.29 3.61 0.07 2.90 0.04 -1.21 -4.29 135.00 133.84 1rmj s PRO 51 Ca 0.05 -0.11 -0.09 0.00 0.04 0.00 0.00 61.00 60.89 1rmj s PRO 51 Cb -0.01 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 1rmj s PRO 51 CO -0.05 0.43 0.38 0.00 0.04 0.00 0.00 177.00 177.80 1rmj s TRP 53 N -1.38 0.15 0.35 0.00 -2.14 -1.09 -4.97 118.94 109.87 1rmj s TRP 53 Ca 0.32 -0.54 -0.25 0.00 2.66 0.00 0.00 56.10 58.30 1rmj s TRP 53 Cb -0.14 0.03 -0.10 0.00 -3.10 0.00 0.00 33.47 30.16 1rmj s TRP 53 CO 0.18 -0.65 0.96 0.00 -2.66 0.00 0.00 176.95 174.77 1rmj s VAL 55 N -1.72 0.05 0.58 0.00 -7.23 0.43 0.92 120.40 113.43 1rmj s VAL 55 Ca 0.53 -1.86 0.09 0.00 -1.81 0.00 0.00 61.98 58.93 1rmj s VAL 55 Cb -0.17 -2.22 0.09 0.00 0.56 0.00 0.00 36.38 34.63 1rmj s VAL 55 CO 0.22 -0.23 0.75 1.51 -0.31 0.00 0.00 175.10 177.05 1rmj s ASP 56 N -3.08 4.98 0.54 4.85 -4.77 -1.16 -4.25 116.67 113.79 1rmj s ASP 56 Ca 0.29 -0.95 0.40 0.00 -3.30 0.00 0.00 52.55 49.00 1rmj s ASP 56 Cb 0.06 0.41 1.60 0.00 -1.09 0.00 0.00 42.92 43.90 1rmj s ASP 56 CO 0.06 -1.36 1.74 0.08 0.70 0.00 0.00 175.17 176.39 1rmj h ARG 57 N 0.23 0.01 0.00 2.11 0.11 -1.66 0.73 114.38 115.91 1rmj h ARG 57 Ca -0.30 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.74 1rmj h ARG 57 Cb 1.29 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1rmj h ARG 57 CO 0.43 0.01 -0.22 0.52 0.10 0.00 0.00 179.97 180.81 1rmj h MET 58 N 0.01 0.00 0.00 0.08 2.86 -1.92 -2.94 114.93 113.01 1rmj h MET 58 Ca 0.68 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 1rmj h MET 58 Cb 2.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 34.36 1rmj h MET 58 CO -0.02 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.52 1rmj n GLY 59 N 1.15 0.99 3.89 8.32 0.00 0.25 -4.81 105.19 114.98 1rmj n GLY 59 Ca 0.03 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1rmj n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rmj s LYS 60 N -0.62 1.44 -0.32 1.61 -2.85 -1.26 -4.75 119.74 112.99 1rmj s LYS 60 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 55.97 54.77 1rmj s LYS 60 Cb 0.00 -1.90 -0.01 0.00 -2.06 0.00 0.00 37.83 33.86 1rmj s LYS 60 CO 0.00 -1.94 0.62 -1.12 0.10 0.00 0.00 175.35 173.02 1rmj s SER 61 N -4.57 6.46 0.53 0.03 0.01 -1.26 -2.96 113.70 111.94 1rmj s SER 61 Ca 0.65 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 58.19 1rmj s SER 61 Cb -0.10 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1rmj s SER 61 CO 0.51 -0.52 0.79 -0.76 0.41 0.00 0.00 173.24 173.67 1rmj s LEU 62 N 2.63 3.41 0.03 2.44 1.43 0.26 -4.93 118.68 123.95 1rmj s LEU 62 Ca 0.24 0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 1rmj s LEU 62 Cb -0.15 -3.32 -0.24 0.00 0.03 0.00 0.00 46.19 42.51 1rmj s LEU 62 CO 0.13 -0.92 1.11 1.55 0.23 0.00 0.00 176.35 178.46 1rmj h PRO 63 N 0.09 0.51 -7.11 1.29 0.13 -1.97 -3.40 132.00 121.54 1rmj h PRO 63 Ca -0.45 -0.57 -0.53 0.00 -0.87 0.00 0.00 66.00 63.57 1rmj h PRO 63 Cb 1.26 0.17 0.19 0.00 0.13 0.00 0.00 31.00 32.75 1rmj h PRO 63 CO 0.59 1.20 0.11 0.41 -0.23 0.00 0.00 178.00 180.08 1rmj n GLY 64 N 1.14 -0.52 3.75 1.56 0.00 -1.26 -4.94 105.19 104.92 1rmj n GLY 64 Ca -0.11 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1rmj n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rmj s SER 65 N -2.18 7.27 0.34 1.61 0.01 -1.26 -4.20 113.70 115.29 1rmj s SER 65 Ca 0.69 2.18 0.27 0.00 1.31 0.00 0.00 55.95 60.39 1rmj s SER 65 Cb -0.27 -2.62 1.09 0.00 0.21 0.00 0.00 66.02 64.43 1rmj s SER 65 CO 0.56 -0.17 1.79 1.55 0.41 0.00 0.00 173.24 177.38 1rmj h PRO 66 N 4.43 0.00 0.00 12.44 0.13 -1.88 -2.93 132.00 144.19 1rmj h PRO 66 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1rmj h PRO 66 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rmj h PRO 66 CO 0.70 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 1rmj n ASP 67 N -2.48 0.00 0.00 1.44 5.68 -1.26 -4.81 116.55 115.11 1rmj n ASP 67 Ca 0.02 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 1rmj n ASP 67 Cb 0.26 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rmj n GLY 68 N -0.37 2.25 0.19 6.12 0.00 -1.15 -4.94 105.19 107.28 1rmj n GLY 68 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1rmj n GLY 68 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rmj h ASN 69 N 0.00 0.07 -1.44 1.61 -0.73 -1.83 -3.13 115.58 110.14 1rmj h ASN 69 Ca 0.00 -0.03 -0.76 0.00 1.87 0.00 0.00 56.30 57.39 1rmj h ASN 69 Cb 0.00 -0.02 -0.16 0.00 0.27 0.00 0.00 38.32 38.41 1rmj h ASN 69 CO 0.00 0.44 2.07 0.61 -0.37 0.00 0.00 177.43 180.18 1rmj n GLY 70 N -0.43 5.28 0.39 1.57 0.00 -1.12 -4.75 105.19 106.14 1rmj n GLY 70 Ca -0.02 -2.17 0.19 0.00 0.00 0.00 0.00 46.02 44.02 1rmj n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rmj h SER 71 N 4.78 0.21 0.02 1.61 0.02 -1.48 0.54 113.55 119.24 1rmj h SER 71 Ca 0.60 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1rmj h SER 71 Cb 0.37 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1rmj h SER 71 CO 1.45 0.10 -0.01 0.77 -1.14 0.00 0.00 176.83 178.00 1rmj h SER 72 N 0.22 0.00 0.00 3.07 4.64 -1.92 -3.16 113.55 116.40 1rmj h SER 72 Ca 0.33 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.31 1rmj h SER 72 Cb 1.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.03 1rmj h SER 72 CO -0.07 0.01 -2.22 -1.20 -0.87 0.00 0.00 176.83 172.49 1rmj n SER 73 N -4.18 2.05 -3.77 4.97 7.64 0.72 -4.99 113.62 116.08 1rmj n SER 73 Ca -0.03 0.04 -0.13 0.00 1.01 0.00 0.00 58.87 59.77 1rmj n SER 73 Cb 0.10 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 62.71 1rmj n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rmj n PRO 75 N 3.65 0.00 0.00 0.00 -0.04 -1.26 -2.99 135.00 134.36 1rmj n PRO 75 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1rmj n PRO 75 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1rmj n PRO 75 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1rmj n THR 76 N 0.00 0.00 0.00 0.52 5.66 -1.26 -4.12 114.28 115.08 1rmj n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rmj n THR 76 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1rmj n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rmj n GLY 77 N 0.00 -1.04 3.15 1.09 0.00 -1.26 -4.92 105.19 102.21 1rmj n GLY 77 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 1rmj n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rmj n SER 78 N 0.00 2.71 -3.16 1.61 7.64 -1.26 -4.64 113.62 116.52 1rmj n SER 78 Ca 0.00 -2.69 -0.19 0.00 1.01 0.00 0.00 58.87 56.99 1rmj n SER 78 Cb 0.00 -1.24 -0.06 0.00 -1.01 0.00 0.00 64.21 61.90 1rmj n SER 78 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rmj n SER 79 N 8.38 -1.40 0.00 6.43 7.64 -1.26 -5.24 113.62 128.16 1rmj n SER 79 Ca 0.49 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.76 1rmj n SER 79 Cb 0.41 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64