#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rmj n TYR -26 N 0.00 -4.13 -0.60 7.33 4.01 -1.26 -4.68 117.16 117.84 1rmj n TYR -26 Ca 0.00 2.11 -0.13 0.00 -0.16 0.00 0.00 57.90 59.72 1rmj n TYR -26 Cb 0.00 -3.89 -0.06 0.00 -0.31 0.00 0.00 39.34 35.08 1rmj n TYR -26 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1rmj n TYR -25 N 1.21 0.58 -3.59 -0.72 4.01 -1.26 -4.81 117.16 112.58 1rmj n TYR -25 Ca -0.20 -1.28 -0.39 0.00 -0.16 0.00 0.00 57.90 55.87 1rmj n TYR -25 Cb 0.31 -1.29 -0.11 0.00 -0.31 0.00 0.00 39.34 37.94 1rmj n TYR -25 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1rmj s HIS -24 N 2.66 3.21 -1.39 -0.72 3.76 -1.26 -4.52 115.29 117.03 1rmj s HIS -24 Ca 0.36 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1rmj s HIS -24 Cb 0.14 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.41 1rmj s HIS -24 CO -0.01 -0.38 0.44 0.72 -0.85 0.00 0.00 174.74 174.65 1rmj n HIS -23 N 5.05 -1.65 -0.14 1.40 8.25 -1.26 -4.85 115.22 122.01 1rmj n HIS -23 Ca -0.13 0.72 -0.10 0.00 -0.26 0.00 0.00 57.72 57.94 1rmj n HIS -23 Cb 0.50 -3.70 -0.01 0.00 1.12 0.00 0.00 29.99 27.89 1rmj n HIS -23 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1rmj h HIS -22 N -1.85 0.72 -1.31 4.41 -0.00 -1.89 -2.85 115.15 112.38 1rmj h HIS -22 Ca -0.63 -0.11 -0.68 0.00 -0.00 0.00 0.00 60.37 58.95 1rmj h HIS -22 Cb 1.37 -0.19 -0.16 0.00 -0.00 0.00 0.00 27.41 28.43 1rmj h HIS -22 CO 0.48 0.72 1.59 1.58 -0.00 0.00 0.00 177.93 182.30 1rmj n HIS -21 N -4.50 2.35 -2.25 2.45 -0.00 -1.26 -4.93 115.22 107.07 1rmj n HIS -21 Ca -0.01 -2.51 -0.37 0.00 0.46 0.00 0.00 57.72 55.29 1rmj n HIS -21 Cb 0.25 -1.59 -0.03 0.00 -0.12 0.00 0.00 29.99 28.50 1rmj n HIS -21 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1rmj s HIS -20 N -1.86 1.98 0.07 1.57 -3.43 -1.08 -4.96 115.29 107.58 1rmj s HIS -20 Ca 0.54 0.31 -0.31 0.00 -0.80 0.00 0.00 55.06 54.80 1rmj s HIS -20 Cb 0.26 -4.31 -0.06 0.00 -1.43 0.00 0.00 32.58 27.03 1rmj s HIS -20 CO -0.15 -2.09 1.19 -1.58 -2.00 0.00 0.00 174.74 170.11 1rmj s HIS -19 N 7.79 3.45 -0.10 0.38 2.46 -1.26 -5.02 115.29 122.98 1rmj s HIS -19 Ca 0.56 1.32 -0.02 0.00 0.47 0.00 0.00 55.06 57.39 1rmj s HIS -19 Cb -0.09 -3.41 -0.03 0.00 -0.13 0.00 0.00 32.58 28.92 1rmj s HIS -19 CO 0.11 -1.24 -0.03 0.34 -2.47 0.00 0.00 174.74 171.46 1rmj s ASP -18 N 0.94 4.97 0.63 9.88 2.15 -1.26 -5.10 116.67 128.88 1rmj s ASP -18 Ca 0.58 0.02 -0.16 0.00 0.43 0.00 0.00 52.55 53.42 1rmj s ASP -18 Cb -0.30 -1.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.81 1rmj s ASP -18 CO 0.30 0.31 1.10 -0.31 -0.17 0.00 0.00 175.17 176.40 1rmj s TYR -17 N -0.47 2.70 0.00 -5.34 1.51 -1.26 -5.05 117.35 109.43 1rmj s TYR -17 Ca 0.08 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.68 1rmj s TYR -17 Cb -0.12 -3.16 0.00 0.00 -0.11 0.00 0.00 41.96 38.57 1rmj s TYR -17 CO 0.02 -1.56 0.00 -3.47 -1.11 0.00 0.00 175.55 169.43 1rmj n ASP -16 N -2.14 0.00 -4.14 2.29 2.03 -1.26 -5.05 116.55 108.29 1rmj n ASP -16 Ca 0.10 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.08 1rmj n ASP -16 Cb 0.52 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.76 1rmj n ASP -16 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rmj s ILE -15 N 1.67 2.25 -0.11 5.18 1.01 -1.26 -5.08 121.20 124.87 1rmj s ILE -15 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 1rmj s ILE -15 Cb 0.00 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1rmj s ILE -15 CO 0.00 0.44 1.69 -2.16 0.00 0.00 0.00 174.94 174.91 1rmj s PRO -14 N 1.29 4.00 -0.68 2.79 0.04 -1.26 -4.94 135.00 136.24 1rmj s PRO -14 Ca 0.03 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 1rmj s PRO -14 Cb -0.14 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.41 1rmj s PRO -14 CO -0.11 -1.06 1.11 0.95 0.04 0.00 0.00 177.00 177.93 1rmj s THR -13 N 4.67 4.06 -0.21 1.26 -4.23 -1.26 -4.76 115.64 115.17 1rmj s THR -13 Ca 0.75 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 61.40 1rmj s THR -13 Cb -0.31 -4.77 -0.16 0.00 1.34 0.00 0.00 72.50 68.60 1rmj s THR -13 CO 0.30 -1.59 -0.14 0.35 -0.54 0.00 0.00 174.62 173.00 1rmj n THR -12 N 6.18 1.22 0.27 3.99 -2.24 -1.26 -4.40 114.28 118.04 1rmj n THR -12 Ca 0.00 -0.52 0.17 0.00 -2.27 0.00 0.00 64.05 61.42 1rmj n THR -12 Cb 0.47 -1.12 0.80 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.00 0.00 0.00 -0.78 3.07 -2.03 0.59 114.58 115.43 1rmj h GLU -11 Ca -0.48 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1rmj h GLU -11 Cb 1.81 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.72 1rmj h GLU -11 CO -0.05 0.00 -0.00 -0.97 -1.40 0.00 0.00 179.01 176.59 1rmj h ASN -10 N 0.00 0.00 0.56 1.42 -0.73 -1.97 -0.93 115.58 113.93 1rmj h ASN -10 Ca 0.05 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1rmj h ASN -10 Cb 0.77 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.36 1rmj h ASN -10 CO -0.00 0.00 -0.04 -0.07 -0.37 0.00 0.00 177.43 176.95 1rmj h LEU -9 N 0.00 0.00 -1.34 0.34 3.38 -1.18 -2.06 115.31 114.45 1rmj h LEU -9 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rmj h LEU -9 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rmj h LEU -9 CO 0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1rmj n TYR -8 N -3.24 0.29 0.08 1.13 9.36 -0.35 -3.83 117.16 120.59 1rmj n TYR -8 Ca -0.01 -0.14 -0.05 0.00 3.32 0.00 0.00 57.90 61.01 1rmj n TYR -8 Cb 0.23 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.91 1rmj n TYR -8 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1rmj h PHE -7 N 2.59 -0.27 -0.69 2.98 -1.00 -1.51 -3.37 116.94 115.67 1rmj h PHE -7 Ca 0.00 -0.01 -0.44 0.00 2.81 0.00 0.00 57.97 60.34 1rmj h PHE -7 Cb 0.57 0.09 -0.26 0.00 3.61 0.00 0.00 35.95 39.96 1rmj h PHE -7 CO 0.14 -0.12 0.07 1.04 -1.61 0.00 0.00 178.31 177.84 1rmj n GLN -6 N -4.97 2.52 0.00 1.51 1.13 -1.26 -4.72 117.38 111.59 1rmj n GLN -6 Ca -0.04 -3.43 0.00 0.00 -1.94 0.00 0.00 57.00 51.59 1rmj n GLN -6 Cb 0.14 -2.09 0.00 0.00 0.11 0.00 0.00 30.24 28.40 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rmj n GLY -5 N -0.98 -0.34 3.92 1.08 0.00 -1.25 -5.04 105.19 102.59 1rmj n GLY -5 Ca 0.47 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj s ALA -4 N -3.67 2.44 0.00 4.61 0.00 -1.26 -4.66 121.76 119.22 1rmj s ALA -4 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1rmj s ALA -4 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1rmj s ALA -4 CO 0.00 -2.14 0.00 -1.33 0.00 0.00 0.00 175.76 172.29 1rmj n MET -3 N -3.57 0.00 -1.40 0.00 0.00 -1.04 -4.68 117.12 106.43 1rmj n MET -3 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.44 1rmj n MET -3 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.76 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 1.96 2.70 3.03 0.00 -0.82 -3.99 105.19 113.07 1rmj n GLY -2 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 9.75 -5.56 -4.45 1.61 7.64 -1.26 -4.66 113.62 116.69 1rmj n SER -1 Ca 0.48 0.35 -0.38 0.00 1.01 0.00 0.00 58.87 60.34 1rmj n SER -1 Cb 0.42 -4.38 -0.12 0.00 -1.01 0.00 0.00 64.21 59.13 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 -2.50 1.83 0.46 0.23 0.00 -0.61 -4.84 107.32 101.88 1rmj s GLY 1 Ca 0.00 -1.25 0.25 0.00 0.00 0.00 0.00 44.72 43.72 1rmj s GLY 1 CO 0.00 0.62 1.68 -0.56 0.00 0.00 0.00 173.10 174.84 1rmj h PRO 2 N 8.30 0.00 -0.82 2.90 0.13 -1.82 -2.76 132.00 137.93 1rmj h PRO 2 Ca -0.35 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.95 1rmj h PRO 2 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 1rmj h PRO 2 CO 0.59 0.00 0.55 0.00 -0.23 0.00 0.00 178.00 178.91 1rmj h ARG 4 N 0.44 0.91 -0.52 0.00 -0.00 -1.22 0.52 114.38 114.51 1rmj h ARG 4 Ca 0.41 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.98 60.31 1rmj h ARG 4 Cb 0.95 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.97 30.69 1rmj h ARG 4 CO -0.15 0.60 0.20 0.00 -0.00 0.00 0.00 179.97 180.62 1rmj h ARG 5 N 0.94 0.78 -0.33 0.08 3.08 -0.95 0.39 114.38 118.37 1rmj h ARG 5 Ca 0.29 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1rmj h ARG 5 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1rmj h ARG 5 CO -0.08 0.69 -0.03 0.45 -1.07 0.00 0.00 179.97 179.94 1rmj h HIS 6 N 0.70 0.66 -0.15 3.04 3.86 -1.02 -1.00 115.15 121.24 1rmj h HIS 6 Ca 0.17 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1rmj h HIS 6 Cb 0.21 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1rmj h HIS 6 CO 0.01 0.73 0.02 1.25 0.86 0.00 0.00 177.93 180.80 1rmj h LEU 7 N 0.39 -0.01 -0.48 2.43 6.46 0.39 1.36 115.31 125.85 1rmj h LEU 7 Ca 0.09 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.94 1rmj h LEU 7 Cb 0.49 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 1rmj h LEU 7 CO 0.02 0.02 0.18 -0.78 -0.62 0.00 0.00 178.44 177.26 1rmj h ASP 8 N 0.08 0.20 -0.05 1.25 1.82 -0.08 0.87 116.42 120.51 1rmj h ASP 8 Ca 0.07 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1rmj h ASP 8 Cb 0.07 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 1rmj h ASP 8 CO -0.10 0.15 -0.04 0.28 -1.61 0.00 0.00 179.24 177.92 1rmj h SER 9 N 0.37 0.13 -0.32 2.28 0.02 -0.65 -1.97 113.55 113.40 1rmj h SER 9 Ca 0.22 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1rmj h SER 9 Cb 0.22 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1rmj h SER 9 CO -0.22 0.54 0.21 0.58 -1.14 0.00 0.00 176.83 176.81 1rmj h VAL 10 N -0.29 1.08 -0.85 2.27 2.07 0.22 0.41 116.25 121.16 1rmj h VAL 10 Ca 0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1rmj h VAL 10 Cb 0.50 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1rmj h VAL 10 CO 0.01 0.08 0.54 0.17 0.02 0.00 0.00 177.57 178.39 1rmj h LEU 11 N 0.43 0.99 -0.10 2.57 8.10 0.77 1.39 115.31 129.46 1rmj h LEU 11 Ca 0.12 -0.04 -0.08 0.00 0.11 0.00 0.00 57.88 57.99 1rmj h LEU 11 Cb -0.04 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 39.93 1rmj h LEU 11 CO -0.03 0.74 -0.24 1.56 -4.11 0.00 0.00 178.44 176.36 1rmj h GLN 12 N 1.15 0.34 0.00 0.17 4.20 -0.88 -3.27 115.11 116.83 1rmj h GLN 12 Ca 0.31 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1rmj h GLN 12 Cb -0.10 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1rmj h GLN 12 CO -0.06 0.84 -0.56 1.96 -0.67 0.00 0.00 178.83 180.34 1rmj h GLN 13 N -0.10 0.00 -0.97 1.46 7.50 0.03 -3.35 115.11 119.69 1rmj h GLN 13 Ca -0.00 0.00 0.27 0.00 0.50 0.00 0.00 58.65 59.42 1rmj h GLN 13 Cb 0.84 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 28.23 1rmj h GLN 13 CO 0.05 0.56 0.50 1.25 -1.50 0.00 0.00 178.83 179.69 1rmj h LEU 14 N 0.00 0.47 -0.48 1.46 6.46 0.18 0.80 115.31 124.21 1rmj h LEU 14 Ca -0.01 0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1rmj h LEU 14 Cb 1.09 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 1rmj h LEU 14 CO 0.07 -0.04 -0.21 1.56 -0.62 0.00 0.00 178.44 179.20 1rmj h GLN 15 N 0.41 0.00 0.05 1.25 4.20 -1.76 -0.36 115.11 118.90 1rmj h GLN 15 Ca 0.65 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.99 1rmj h GLN 15 Cb 1.35 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.08 1rmj h GLN 15 CO -0.56 0.21 -2.21 0.25 -0.67 0.00 0.00 178.83 175.85 1rmj n THR 16 N -3.21 1.62 0.03 -0.54 -2.24 0.31 -3.96 114.28 106.28 1rmj n THR 16 Ca 0.02 -0.64 0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1rmj n THR 16 Cb 0.54 -1.46 0.24 0.00 -2.10 0.00 0.00 70.33 67.54 1rmj n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rmj n GLU 17 N -3.31 3.03 -0.25 -0.78 -0.58 0.25 -4.35 120.64 114.65 1rmj n GLU 17 Ca -0.37 -1.88 -0.07 0.00 -0.42 0.00 0.00 57.16 54.42 1rmj n GLU 17 Cb 1.03 -1.79 0.05 0.00 -0.57 0.00 0.00 31.44 30.16 1rmj n GLU 17 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1rmj h VAL 18 N 2.56 1.26 -0.00 2.62 3.04 -1.18 -2.35 116.25 122.20 1rmj h VAL 18 Ca 0.00 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.70 1rmj h VAL 18 Cb 1.18 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1rmj h VAL 18 CO 0.22 0.38 -0.12 -1.22 -1.01 0.00 0.00 177.57 175.82 1rmj n TYR 19 N -4.23 0.00 0.03 3.17 4.01 -1.26 0.22 117.16 119.11 1rmj n TYR 19 Ca 0.05 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.61 1rmj n TYR 19 Cb 0.27 -0.18 -0.14 0.00 -0.31 0.00 0.00 39.34 38.97 1rmj n TYR 19 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rmj h ARG 20 N 0.58 0.24 -0.11 -0.72 -0.00 -1.77 -3.37 114.38 109.23 1rmj h ARG 20 Ca 0.00 -0.40 0.00 0.00 -0.50 0.00 0.00 59.98 59.08 1rmj h ARG 20 Cb 0.36 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.48 1rmj h ARG 20 CO 0.00 1.07 0.00 0.41 0.00 0.00 0.00 179.97 181.45 1rmj n GLY 21 N 1.79 2.47 0.50 0.04 0.00 -0.91 -4.80 105.19 104.27 1rmj n GLY 21 Ca -0.23 -0.13 0.32 0.00 0.00 0.00 0.00 46.02 45.98 1rmj n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj h ALA 22 N 0.72 2.90 -0.23 4.61 0.00 0.26 1.89 119.26 129.41 1rmj h ALA 22 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rmj h ALA 22 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rmj h ALA 22 CO 0.00 -1.25 0.00 1.04 0.00 0.00 0.00 179.25 179.04 1rmj n GLN 23 N -4.29 2.27 -2.66 0.00 1.13 -1.26 -3.05 117.38 109.52 1rmj n GLN 23 Ca 0.25 -1.89 -0.02 0.00 -1.94 0.00 0.00 57.00 53.40 1rmj n GLN 23 Cb 1.14 -1.48 0.13 0.00 0.11 0.00 0.00 30.24 30.14 1rmj n GLN 23 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1rmj n THR 24 N 1.16 0.00 -2.37 5.09 -2.24 0.27 -3.89 114.28 112.30 1rmj n THR 24 Ca 0.17 -1.00 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1rmj n THR 24 Cb 0.54 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1rmj n THR 24 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rmj s LEU 25 N -4.11 4.21 -0.04 3.22 1.43 0.57 -4.38 118.68 119.59 1rmj s LEU 25 Ca 0.09 1.78 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 1rmj s LEU 25 Cb 0.45 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 1rmj s LEU 25 CO -0.13 -0.76 0.43 -0.47 0.23 0.00 0.00 176.35 175.65 1rmj s TYR 26 N 3.39 3.66 -0.11 0.29 5.04 -1.25 0.93 117.35 129.30 1rmj s TYR 26 Ca 0.57 0.96 -0.01 0.00 -2.44 0.00 0.00 57.07 56.16 1rmj s TYR 26 Cb -0.24 -2.38 0.03 0.00 0.35 0.00 0.00 41.96 39.72 1rmj s TYR 26 CO 0.17 0.48 -0.05 0.08 -1.34 0.00 0.00 175.55 174.89 1rmj s VAL 27 N -0.50 0.86 0.28 3.14 1.01 0.78 -4.97 120.40 121.00 1rmj s VAL 27 Ca 0.24 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1rmj s VAL 27 Cb -0.16 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1rmj s VAL 27 CO 0.12 0.31 1.03 -2.16 0.00 0.00 0.00 175.10 174.41 1rmj s PRO 28 N 1.77 4.66 -0.27 2.72 0.04 -1.26 -2.15 135.00 140.51 1rmj s PRO 28 Ca 0.05 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 1rmj s PRO 28 Cb -0.13 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1rmj s PRO 28 CO -0.07 0.28 0.10 1.21 0.04 0.00 0.00 177.00 178.55 1rmj s ASN 29 N -1.09 5.30 0.16 6.66 2.47 -1.04 -4.79 114.94 122.61 1rmj s ASN 29 Ca 0.45 -0.30 0.09 0.00 0.42 0.00 0.00 52.86 53.52 1rmj s ASN 29 Cb -0.28 -1.95 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 1rmj s ASN 29 CO 0.36 -0.09 -0.14 0.00 -3.72 0.00 0.00 177.10 173.52 1rmj s ASP 31 N -2.57 5.08 0.64 0.00 2.15 -1.22 -4.87 116.67 115.87 1rmj s ASP 31 Ca 0.22 -0.85 0.22 0.00 0.43 0.00 0.00 52.55 52.57 1rmj s ASP 31 Cb -0.09 0.05 1.10 0.00 -0.30 0.00 0.00 42.92 43.67 1rmj s ASP 31 CO 0.13 -1.10 1.60 -0.74 -0.17 0.00 0.00 175.17 174.90 1rmj h HIS 32 N 0.50 0.00 -0.10 -5.34 2.76 -2.00 0.21 115.15 111.18 1rmj h HIS 32 Ca -0.35 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 1rmj h HIS 32 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1rmj h HIS 32 CO 0.56 0.00 0.00 2.89 -1.30 0.00 0.00 177.93 180.08 1rmj n ARG 33 N -3.03 1.24 -0.63 5.26 1.85 -1.26 -3.65 116.66 116.44 1rmj n ARG 33 Ca 0.04 -0.37 0.00 0.00 -1.00 0.00 0.00 57.85 56.52 1rmj n ARG 33 Cb 0.76 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 31.07 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rmj n GLY 34 N 0.69 0.22 3.96 2.89 0.00 0.74 -1.57 105.19 112.11 1rmj n GLY 34 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.65 3.30 -0.80 1.61 0.08 -1.26 -0.59 117.98 118.68 1rmj s PHE 35 Ca 0.00 0.17 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 1rmj s PHE 35 Cb 0.00 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1rmj s PHE 35 CO 0.00 -0.11 2.00 0.71 -0.10 0.00 0.00 175.22 177.72 1rmj s TYR 36 N -2.39 1.66 -0.02 0.36 1.51 -0.92 -3.46 117.35 114.10 1rmj s TYR 36 Ca 0.44 0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 57.33 1rmj s TYR 36 Cb -0.10 -3.96 -0.02 0.00 -0.11 0.00 0.00 41.96 37.77 1rmj s TYR 36 CO 0.36 -1.91 0.36 -0.09 -1.11 0.00 0.00 175.55 173.16 1rmj h ARG 37 N 12.79 -0.14 0.00 -0.62 2.43 -1.29 -3.22 114.38 124.33 1rmj h ARG 37 Ca -0.02 0.01 -0.39 0.00 -0.81 0.00 0.00 59.98 58.77 1rmj h ARG 37 Cb 1.06 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 1rmj h ARG 37 CO 1.19 -0.10 -2.34 1.17 -1.51 0.00 0.00 179.97 178.38 1rmj n LYS 38 N -3.12 0.53 -4.41 0.20 3.00 -1.26 -3.38 118.16 109.73 1rmj n LYS 38 Ca -0.02 0.20 -0.25 0.00 -0.00 0.00 0.00 58.31 58.23 1rmj n LYS 38 Cb 0.06 -1.39 -0.10 0.00 0.00 0.00 0.00 35.03 33.59 1rmj n LYS 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1rmj s ARG 39 N -2.45 1.74 -0.08 1.64 3.52 -1.26 0.26 118.95 122.32 1rmj s ARG 39 Ca -0.33 -1.57 0.01 0.00 -0.13 0.00 0.00 55.73 53.71 1rmj s ARG 39 Cb 0.11 -1.90 0.02 0.00 -1.56 0.00 0.00 34.95 31.63 1rmj s ARG 39 CO 0.46 0.38 -0.08 -0.65 -0.81 0.00 0.00 175.30 174.59 1rmj s GLN 40 N -3.10 1.40 -0.03 5.12 -0.21 0.78 -2.50 119.66 121.12 1rmj s GLN 40 Ca 0.26 -0.26 0.07 0.00 0.02 0.00 0.00 55.36 55.44 1rmj s GLN 40 Cb -0.07 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.59 1rmj s GLN 40 CO 0.14 -0.12 -0.23 0.00 -2.12 0.00 0.00 175.29 172.95 1rmj s ARG 42 N -0.40 3.04 0.02 0.00 6.06 -0.92 -0.16 118.95 126.60 1rmj s ARG 42 Ca 0.05 -0.84 0.01 0.00 -2.50 0.00 0.00 55.73 52.44 1rmj s ARG 42 Cb -0.11 -2.96 -0.04 0.00 0.06 0.00 0.00 34.95 31.90 1rmj s ARG 42 CO 0.01 -0.31 0.08 -1.12 -2.50 0.00 0.00 175.30 171.45 1rmj s SER 43 N 1.38 5.62 0.38 -2.12 0.01 0.26 -3.07 113.70 116.18 1rmj s SER 43 Ca 0.03 0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.46 1rmj s SER 43 Cb -0.15 -1.58 -0.07 0.00 0.21 0.00 0.00 66.02 64.42 1rmj s SER 43 CO -0.05 0.24 -0.03 -0.94 0.41 0.00 0.00 173.24 172.87 1rmj s SER 44 N -1.95 3.81 0.00 2.44 1.04 -1.21 0.11 113.70 117.94 1rmj s SER 44 Ca 0.25 -1.31 0.16 0.00 0.48 0.00 0.00 55.95 55.53 1rmj s SER 44 Cb -0.12 -0.38 0.76 0.00 0.10 0.00 0.00 66.02 66.39 1rmj s SER 44 CO 0.17 -0.36 1.52 0.00 0.98 0.00 0.00 173.24 175.54 1rmj n GLN 45 N -0.90 1.29 0.00 4.02 6.02 -1.17 -4.73 117.38 121.91 1rmj n GLN 45 Ca -0.05 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.50 1rmj n GLN 45 Cb 0.66 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.64 1rmj n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rmj n GLY 46 N 0.87 0.42 0.00 1.08 0.00 -1.26 -5.11 105.19 101.19 1rmj n GLY 46 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.93 0.01 1.61 3.00 -1.26 -4.90 117.38 117.76 1rmj n GLN 47 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1rmj n GLN 47 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 30.24 30.46 1rmj n GLN 47 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1rmj n ARG 48 N 0.00 0.01 -0.67 -1.09 3.00 -1.26 -4.63 116.66 112.02 1rmj n ARG 48 Ca 0.00 0.35 -0.31 0.00 -0.00 0.00 0.00 57.85 57.89 1rmj n ARG 48 Cb 0.00 -1.52 0.17 0.00 0.00 0.00 0.00 32.46 31.11 1rmj n ARG 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1rmj n ARG 49 N -1.54 -0.70 0.00 -0.14 1.74 -1.26 -4.13 116.66 110.63 1rmj n ARG 49 Ca 0.02 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1rmj n ARG 49 Cb 0.11 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 1rmj n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rmj n GLY 50 N 0.62 0.46 3.75 -0.13 0.00 -1.25 -3.33 105.19 105.31 1rmj n GLY 50 Ca 0.10 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1rmj n GLY 50 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rmj s PRO 51 N 0.00 2.56 0.10 1.61 0.04 -1.17 -4.58 135.00 133.55 1rmj s PRO 51 Ca 0.00 -1.32 -0.12 0.00 0.04 0.00 0.00 61.00 59.60 1rmj s PRO 51 Cb 0.00 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 1rmj s PRO 51 CO 0.00 0.28 0.46 0.00 0.04 0.00 0.00 177.00 177.78 1rmj s TRP 53 N -1.39 -0.20 0.53 0.00 -2.14 -0.23 -2.21 118.94 113.30 1rmj s TRP 53 Ca 0.34 0.19 -0.16 0.00 2.66 0.00 0.00 56.10 59.14 1rmj s TRP 53 Cb -0.15 0.15 -0.07 0.00 -3.10 0.00 0.00 33.47 30.30 1rmj s TRP 53 CO 0.18 -0.49 0.99 0.00 -2.66 0.00 0.00 176.95 174.97 1rmj s VAL 55 N -2.71 0.01 0.96 0.00 -7.23 0.74 -0.60 120.40 111.57 1rmj s VAL 55 Ca 0.58 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.30 1rmj s VAL 55 Cb -0.10 -2.04 0.20 0.00 0.56 0.00 0.00 36.38 35.00 1rmj s VAL 55 CO 0.35 -0.06 1.31 1.51 -0.31 0.00 0.00 175.10 177.90 1rmj s ASP 56 N -2.99 3.11 0.62 4.85 -4.77 -1.07 -4.13 116.67 112.29 1rmj s ASP 56 Ca 0.19 0.20 0.27 0.00 -3.30 0.00 0.00 52.55 49.91 1rmj s ASP 56 Cb -0.00 -0.23 1.46 0.00 -1.09 0.00 0.00 42.92 43.05 1rmj s ASP 56 CO 0.06 -2.73 1.81 0.08 0.70 0.00 0.00 175.17 175.08 1rmj h ARG 57 N -1.61 0.00 0.00 2.11 -0.00 -1.56 0.20 114.38 113.52 1rmj h ARG 57 Ca -0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.51 1rmj h ARG 57 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1rmj h ARG 57 CO 0.36 0.00 -0.98 0.52 -0.00 0.00 0.00 179.97 179.88 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.88 -2.43 114.93 113.55 1rmj h MET 58 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rmj h MET 58 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1rmj h MET 58 CO 0.00 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1rmj n GLY 59 N 1.21 1.20 3.70 8.32 0.00 0.72 -4.73 105.19 115.60 1rmj n GLY 59 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1rmj n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rmj s LYS 60 N -0.48 4.43 -0.25 1.61 2.20 -1.26 -4.74 119.74 121.25 1rmj s LYS 60 Ca 0.00 1.61 -0.36 0.00 -0.36 0.00 0.00 55.97 56.86 1rmj s LYS 60 Cb 0.00 -3.47 -0.12 0.00 -1.51 0.00 0.00 37.83 32.73 1rmj s LYS 60 CO 0.00 -0.28 2.01 0.43 -0.36 0.00 0.00 175.35 177.14 1rmj n SER 61 N 4.50 2.64 0.10 1.43 7.64 -1.26 -2.61 113.62 126.06 1rmj n SER 61 Ca 0.09 0.71 -0.04 0.00 1.01 0.00 0.00 58.87 60.63 1rmj n SER 61 Cb 0.48 -1.28 0.04 0.00 -1.01 0.00 0.00 64.21 62.43 1rmj n SER 61 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rmj h LEU 62 N 10.51 0.05 -0.30 -3.43 3.38 -1.19 -3.31 115.31 121.02 1rmj h LEU 62 Ca -0.38 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1rmj h LEU 62 Cb 1.30 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1rmj h LEU 62 CO 0.98 0.81 -0.30 1.55 0.09 0.00 0.00 178.44 181.58 1rmj h PRO 63 N 0.02 0.73 0.00 1.13 0.13 -1.89 -3.50 132.00 128.63 1rmj h PRO 63 Ca -0.01 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1rmj h PRO 63 Cb 1.39 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1rmj h PRO 63 CO 0.11 1.01 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 1rmj n GLY 64 N 0.16 1.47 3.85 1.56 0.00 -1.25 -5.03 105.19 105.95 1rmj n GLY 64 Ca -0.04 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.00 6.78 0.00 1.61 0.01 -1.26 -4.96 113.70 111.88 1rmj s SER 65 Ca 0.00 1.24 0.18 0.00 1.31 0.00 0.00 55.95 58.68 1rmj s SER 65 Cb 0.00 -2.35 0.92 0.00 0.21 0.00 0.00 66.02 64.80 1rmj s SER 65 CO 0.00 -0.16 1.53 -0.81 0.41 0.00 0.00 173.24 174.21 1rmj n PRO 66 N -0.22 0.29 0.11 12.44 -0.04 -1.26 -2.93 135.00 143.39 1rmj n PRO 66 Ca 0.02 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1rmj n PRO 66 Cb 0.53 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.95 1rmj n PRO 66 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rmj n ASP 67 N -1.25 0.62 -4.34 3.54 8.00 -1.26 -4.01 116.55 117.85 1rmj n ASP 67 Ca 0.09 0.63 -0.44 0.00 0.71 0.00 0.00 54.79 55.77 1rmj n ASP 67 Cb 0.13 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rmj n GLY 68 N 0.32 4.02 2.61 0.44 0.00 -1.15 -4.91 105.19 106.52 1rmj n GLY 68 Ca 0.03 -2.38 -0.16 0.00 0.00 0.00 0.00 46.02 43.51 1rmj n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rmj n ASN 69 N 3.61 3.74 0.00 1.61 3.02 -1.26 -3.58 115.26 122.41 1rmj n ASN 69 Ca 0.29 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1rmj n ASN 69 Cb 0.40 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1rmj n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rmj n GLY 70 N 3.63 -1.88 0.09 7.41 0.00 -1.26 -4.80 105.19 108.38 1rmj n GLY 70 Ca 0.33 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.49 1rmj n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rmj n SER 71 N -0.07 0.44 -0.13 1.61 7.64 -1.23 -4.11 113.62 117.77 1rmj n SER 71 Ca 0.00 -0.39 -0.05 0.00 1.01 0.00 0.00 58.87 59.44 1rmj n SER 71 Cb 0.44 -0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1rmj n SER 71 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1rmj h SER 72 N 0.44 0.15 -3.59 6.43 0.02 -1.75 -1.52 113.55 113.73 1rmj h SER 72 Ca 0.00 0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 60.48 1rmj h SER 72 Cb 0.41 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1rmj h SER 72 CO 0.00 0.12 0.38 -0.44 -1.14 0.00 0.00 176.83 175.75 1rmj s SER 73 N -5.37 7.48 0.17 3.07 0.01 -1.26 -4.73 113.70 113.07 1rmj s SER 73 Ca -0.13 1.87 0.09 0.00 1.31 0.00 0.00 55.95 59.09 1rmj s SER 73 Cb 0.13 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1rmj s SER 73 CO 0.72 -0.06 -0.14 0.00 0.41 0.00 0.00 173.24 174.17 1rmj n PRO 75 N 0.21 0.00 -3.94 0.00 -0.04 -1.26 -5.08 135.00 124.89 1rmj n PRO 75 Ca -0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.12 1rmj n PRO 75 Cb 0.55 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.96 1rmj n PRO 75 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rmj n THR 76 N 0.00 0.00 0.00 0.52 -2.24 -1.26 -5.12 114.28 106.18 1rmj n THR 76 Ca 0.00 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 1rmj n THR 76 Cb 0.00 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1rmj n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rmj n GLY 77 N 0.07 1.00 3.88 3.38 0.00 -1.26 -4.92 105.19 107.33 1rmj n GLY 77 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1rmj n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rmj s SER 78 N -1.20 5.84 0.29 1.61 0.01 -1.26 -4.96 113.70 114.03 1rmj s SER 78 Ca 0.00 1.24 -0.00 0.00 1.31 0.00 0.00 55.95 58.50 1rmj s SER 78 Cb 0.00 -2.18 0.45 0.00 0.21 0.00 0.00 66.02 64.50 1rmj s SER 78 CO 0.00 -1.09 1.85 0.28 0.41 0.00 0.00 173.24 174.69 1rmj h SER 79 N -0.46 0.73 0.00 2.44 0.02 -2.06 -3.53 113.55 110.69 1rmj h SER 79 Ca -0.45 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1rmj h SER 79 Cb 1.22 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1rmj h SER 79 CO 0.63 0.71 0.00 0.61 -1.14 0.00 0.00 176.83 177.64