#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 1.89 -4.24 1.43 9.36 -1.26 -4.94 117.16 119.40 1rmj n TYR -26 Ca 0.00 0.30 -0.33 0.00 3.32 0.00 0.00 57.90 61.19 1rmj n TYR -26 Cb 0.00 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 36.01 1rmj n TYR -26 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1rmj s TYR -25 N 5.53 2.75 -0.05 2.98 6.14 -1.26 -5.04 117.35 128.40 1rmj s TYR -25 Ca 1.03 -1.58 -0.07 0.00 0.64 0.00 0.00 57.07 57.09 1rmj s TYR -25 Cb -0.89 -1.89 -0.04 0.00 0.42 0.00 0.00 41.96 39.55 1rmj s TYR -25 CO 0.55 -0.77 0.33 0.45 0.64 0.00 0.00 175.55 176.75 1rmj h HIS -24 N 7.81 -0.23 -2.19 4.97 3.86 -2.06 -3.49 115.15 123.81 1rmj h HIS -24 Ca -0.43 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1rmj h HIS -24 Cb 1.15 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1rmj h HIS -24 CO 0.47 -0.14 0.00 -2.39 0.86 0.00 0.00 177.93 176.73 1rmj n HIS -23 N -4.45 0.00 -3.87 2.45 1.44 -1.26 -4.92 115.22 104.60 1rmj n HIS -23 Ca -0.03 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.43 1rmj n HIS -23 Cb 0.10 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.21 1rmj n HIS -23 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1rmj n HIS -22 N 0.00 -1.73 -1.02 -1.40 -0.00 -1.26 -4.79 115.22 105.03 1rmj n HIS -22 Ca 0.00 0.73 -0.28 0.00 -0.00 0.00 0.00 57.72 58.17 1rmj n HIS -22 Cb 0.00 -3.85 -0.04 0.00 -0.00 0.00 0.00 29.99 26.10 1rmj n HIS -22 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1rmj n HIS -21 N -4.35 1.64 -0.73 1.57 -0.00 -1.26 -4.76 115.22 107.33 1rmj n HIS -21 Ca -0.29 -2.37 -0.16 0.00 0.46 0.00 0.00 57.72 55.36 1rmj n HIS -21 Cb 0.68 -2.01 -0.06 0.00 -0.12 0.00 0.00 29.99 28.47 1rmj n HIS -21 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1rmj n HIS -20 N 3.65 0.76 -1.80 1.57 1.44 -1.26 -4.74 115.22 114.84 1rmj n HIS -20 Ca 0.59 -1.54 -0.42 0.00 -2.01 0.00 0.00 57.72 54.34 1rmj n HIS -20 Cb 0.27 -1.47 0.00 0.00 0.12 0.00 0.00 29.99 28.91 1rmj n HIS -20 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1rmj n HIS -19 N 3.39 3.46 -1.04 -1.40 8.25 -1.26 -4.84 115.22 121.77 1rmj n HIS -19 Ca 0.38 -2.96 -0.39 0.00 -0.26 0.00 0.00 57.72 54.50 1rmj n HIS -19 Cb 0.37 -2.49 -0.05 0.00 1.12 0.00 0.00 29.99 28.94 1rmj n HIS -19 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1rmj n ASP -18 N 5.83 2.88 0.00 0.41 2.03 -1.26 -4.48 116.55 121.96 1rmj n ASP -18 Ca 0.51 -2.60 0.00 0.00 0.52 0.00 0.00 54.79 53.22 1rmj n ASP -18 Cb 0.39 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1rmj n ASP -18 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1rmj n TYR -17 N 6.88 0.00 -1.76 -0.67 4.01 -1.26 -4.87 117.16 119.49 1rmj n TYR -17 Ca 0.48 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.89 1rmj n TYR -17 Cb 0.35 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.43 1rmj n TYR -17 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1rmj n ASP -16 N -1.17 6.69 -3.71 7.72 9.92 -1.26 -4.96 116.55 129.79 1rmj n ASP -16 Ca 0.00 -3.78 -0.24 0.00 -0.53 0.00 0.00 54.79 50.24 1rmj n ASP -16 Cb 0.00 -0.80 -0.08 0.00 -0.64 0.00 0.00 41.12 39.61 1rmj n ASP -16 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1rmj s ILE -15 N -4.92 0.27 -0.68 0.53 -0.00 -1.26 -5.05 121.20 110.09 1rmj s ILE -15 Ca 0.57 -2.00 -0.26 0.00 -0.00 0.00 0.00 60.65 58.96 1rmj s ILE -15 Cb 0.46 -2.37 -0.06 0.00 -0.00 0.00 0.00 42.46 40.48 1rmj s ILE -15 CO -0.12 0.00 2.13 -2.16 -0.00 0.00 0.00 174.94 174.79 1rmj s PRO -14 N -3.54 2.27 -0.44 0.37 0.04 -1.26 -4.82 135.00 127.62 1rmj s PRO -14 Ca 0.30 0.59 -0.39 0.00 0.04 0.00 0.00 61.00 61.54 1rmj s PRO -14 Cb 0.02 -4.67 -0.17 0.00 0.04 0.00 0.00 34.50 29.72 1rmj s PRO -14 CO 0.21 -3.35 1.77 0.25 0.04 0.00 0.00 177.00 175.92 1rmj n THR -13 N 7.87 0.00 -0.10 1.26 -2.24 -1.26 -4.83 114.28 114.98 1rmj n THR -13 Ca 0.34 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.94 1rmj n THR -13 Cb 0.50 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.20 1rmj n THR -13 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1rmj h THR -12 N 5.74 0.72 0.00 4.28 2.02 -1.94 -3.35 112.91 120.38 1rmj h THR -12 Ca -0.16 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1rmj h THR -12 Cb 1.24 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1rmj h THR -12 CO 0.93 0.24 0.11 -0.33 0.37 0.00 0.00 175.52 176.85 1rmj h GLU -11 N -1.00 0.00 0.00 6.66 5.08 -1.94 -0.47 114.58 122.91 1rmj h GLU -11 Ca -0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1rmj h GLU -11 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1rmj h GLU -11 CO -0.17 0.00 -0.01 -0.97 -1.00 0.00 0.00 179.01 176.86 1rmj h ASN -10 N 0.00 0.00 1.34 1.42 -0.00 -1.95 0.21 115.58 116.60 1rmj h ASN -10 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.28 1rmj h ASN -10 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1rmj h ASN -10 CO 0.00 0.01 -0.11 0.25 -0.00 0.00 0.00 177.43 177.58 1rmj h LEU -9 N 0.00 0.00 0.00 0.34 7.12 -1.30 -2.80 115.31 118.67 1rmj h LEU -9 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1rmj h LEU -9 Cb 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1rmj h LEU -9 CO 0.00 0.11 0.00 0.00 -0.13 0.00 0.00 178.44 178.42 1rmj n TYR -8 N -3.18 0.00 -1.38 1.25 9.36 0.75 -4.28 117.16 119.68 1rmj n TYR -8 Ca 0.02 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.85 1rmj n TYR -8 Cb 0.45 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.14 1rmj n TYR -8 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1rmj n PHE -7 N -0.83 2.64 -3.75 2.98 3.01 -1.06 -4.78 117.46 115.67 1rmj n PHE -7 Ca 0.14 -2.97 -0.34 0.00 1.01 0.00 0.00 57.45 55.29 1rmj n PHE -7 Cb 0.07 -2.45 -0.10 0.00 -0.01 0.00 0.00 39.48 36.99 1rmj n PHE -7 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1rmj s GLN -6 N 2.57 2.70 0.00 -1.08 -1.52 -1.26 -3.32 119.66 117.76 1rmj s GLN -6 Ca 0.62 -2.92 0.00 0.00 -1.95 0.00 0.00 55.36 51.11 1rmj s GLN -6 Cb 0.16 -3.70 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1rmj s GLN -6 CO -0.06 -1.21 0.00 0.41 -0.25 0.00 0.00 175.29 174.17 1rmj n GLY -5 N 2.81 1.77 0.20 3.09 0.00 -1.26 -4.81 105.19 106.98 1rmj n GLY -5 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj h ALA -4 N -2.00 -0.40 -1.65 4.61 0.00 -1.95 -3.45 119.26 114.41 1rmj h ALA -4 Ca 0.00 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 1rmj h ALA -4 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1rmj h ALA -4 CO 0.00 -0.51 -0.43 -1.64 0.00 0.00 0.00 179.25 176.67 1rmj s MET -3 N -4.24 2.49 -1.30 0.00 1.00 -1.26 -4.87 119.30 111.13 1rmj s MET -3 Ca -0.13 -1.54 -0.09 0.00 0.00 0.00 0.00 55.69 53.92 1rmj s MET -3 Cb 0.02 -2.30 -0.07 0.00 0.00 0.00 0.00 34.83 32.48 1rmj s MET -3 CO 0.50 -0.08 2.52 0.41 0.00 0.00 0.00 175.02 178.37 1rmj n GLY -2 N -1.40 3.74 3.10 -0.03 0.00 0.30 -4.54 105.19 106.36 1rmj n GLY -2 Ca 0.01 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 4.26 -6.91 -4.39 1.61 7.64 -1.21 -4.75 113.62 109.86 1rmj n SER -1 Ca 0.62 0.50 -0.21 0.00 1.01 0.00 0.00 58.87 60.79 1rmj n SER -1 Cb 0.22 -3.31 -0.10 0.00 -1.01 0.00 0.00 64.21 60.00 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 -1.65 1.61 0.08 0.23 0.00 -1.25 -4.86 107.32 101.48 1rmj s GLY 1 Ca 0.17 -1.74 -0.15 0.00 0.00 0.00 0.00 44.72 43.00 1rmj s GLY 1 CO 0.61 -1.83 1.33 -0.56 0.00 0.00 0.00 173.10 172.64 1rmj h PRO 2 N 2.47 0.67 -0.33 2.90 0.13 -1.77 -3.25 132.00 132.81 1rmj h PRO 2 Ca -0.39 -0.46 -0.09 0.00 -0.87 0.00 0.00 66.00 64.19 1rmj h PRO 2 Cb 1.24 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1rmj h PRO 2 CO 0.61 1.08 -0.19 0.00 -0.23 0.00 0.00 178.00 179.26 1rmj h ARG 4 N 0.54 0.40 -0.38 0.00 1.12 -1.38 0.88 114.38 115.57 1rmj h ARG 4 Ca 0.09 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 58.80 1rmj h ARG 4 Cb 0.63 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1rmj h ARG 4 CO 0.04 0.27 -0.28 0.00 -3.11 0.00 0.00 179.97 176.89 1rmj h ARG 5 N 0.42 0.81 -0.55 0.20 3.08 -1.54 -1.88 114.38 114.92 1rmj h ARG 5 Ca 0.26 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1rmj h ARG 5 Cb 0.27 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1rmj h ARG 5 CO -0.25 0.99 0.31 1.25 -1.07 0.00 0.00 179.97 181.21 1rmj h HIS 6 N 0.69 0.58 0.10 3.04 2.76 0.83 -0.64 115.15 122.53 1rmj h HIS 6 Ca 0.08 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1rmj h HIS 6 Cb 0.82 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 1rmj h HIS 6 CO 0.04 0.32 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.86 1rmj h LEU 7 N 0.62 -0.14 -0.72 0.26 3.38 0.10 0.28 115.31 119.08 1rmj h LEU 7 Ca 0.23 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1rmj h LEU 7 Cb 0.07 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1rmj h LEU 7 CO -0.12 -0.10 0.38 -0.78 0.09 0.00 0.00 178.44 177.91 1rmj h ASP 8 N -0.15 0.53 0.07 -0.43 1.82 -0.89 1.46 116.42 118.82 1rmj h ASP 8 Ca -0.01 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1rmj h ASP 8 Cb 0.13 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.09 1rmj h ASP 8 CO 0.02 0.31 -0.03 0.28 -1.61 0.00 0.00 179.24 178.20 1rmj h SER 9 N 0.66 -0.08 -0.68 2.28 0.02 -0.78 -0.43 113.55 114.54 1rmj h SER 9 Ca 0.35 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1rmj h SER 9 Cb 0.32 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1rmj h SER 9 CO -0.24 0.26 0.34 0.58 -1.14 0.00 0.00 176.83 176.63 1rmj h VAL 10 N -0.43 1.22 -0.41 2.27 2.07 0.08 0.53 116.25 121.59 1rmj h VAL 10 Ca -0.01 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1rmj h VAL 10 Cb 0.37 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1rmj h VAL 10 CO 0.02 0.26 0.21 0.25 0.02 0.00 0.00 177.57 178.32 1rmj h LEU 11 N 0.93 0.31 -0.16 2.57 5.85 0.21 1.43 115.31 126.45 1rmj h LEU 11 Ca 0.23 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1rmj h LEU 11 Cb 0.10 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1rmj h LEU 11 CO -0.03 0.22 -0.26 1.56 -0.34 0.00 0.00 178.44 179.59 1rmj h GLN 12 N 0.42 0.47 -0.05 1.25 4.20 -0.64 -3.31 115.11 117.45 1rmj h GLN 12 Ca 0.17 -0.28 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 1rmj h GLN 12 Cb 0.07 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1rmj h GLN 12 CO -0.12 0.88 -0.74 1.96 -0.67 0.00 0.00 178.83 180.14 1rmj h GLN 13 N 0.10 0.29 -1.11 1.46 4.20 0.38 -3.35 115.11 117.08 1rmj h GLN 13 Ca 0.01 -0.24 0.31 0.00 0.06 0.00 0.00 58.65 58.79 1rmj h GLN 13 Cb 0.84 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 1rmj h GLN 13 CO 0.06 0.90 0.75 1.37 -0.67 0.00 0.00 178.83 181.24 1rmj h LEU 14 N 0.19 0.24 -0.45 1.46 8.10 0.19 1.94 115.31 126.97 1rmj h LEU 14 Ca -0.03 0.05 -0.17 0.00 0.11 0.00 0.00 57.88 57.84 1rmj h LEU 14 Cb 1.31 0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 41.53 1rmj h LEU 14 CO 0.12 0.03 -0.76 -0.61 -4.11 0.00 0.00 178.44 173.11 1rmj h GLN 15 N 0.20 0.18 0.00 0.17 5.75 -1.78 -3.21 115.11 116.42 1rmj h GLN 15 Ca 0.59 -0.17 -0.12 0.00 -0.15 0.00 0.00 58.65 58.80 1rmj h GLN 15 Cb 1.88 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.44 1rmj h GLN 15 CO -0.18 0.85 -1.82 2.41 -2.65 0.00 0.00 178.83 177.45 1rmj n THR 16 N -3.74 0.45 -0.19 2.39 -1.04 -0.32 -4.49 114.28 107.35 1rmj n THR 16 Ca -0.03 -0.46 0.05 0.00 -2.04 0.00 0.00 64.05 61.57 1rmj n THR 16 Cb 0.72 -0.21 0.27 0.00 -1.82 0.00 0.00 70.33 69.29 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 -2.26 3.46 0.02 -2.82 1.02 0.64 -4.09 120.64 116.62 1rmj n GLU 17 Ca -0.12 -2.09 0.13 0.00 -0.02 0.00 0.00 57.16 55.06 1rmj n GLU 17 Cb 0.66 -1.95 0.41 0.00 -0.02 0.00 0.00 31.44 30.54 1rmj n GLU 17 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1rmj n VAL 18 N 0.49 0.11 0.02 2.62 0.31 -1.21 -2.25 118.33 118.42 1rmj n VAL 18 Ca 0.18 -0.07 -0.11 0.00 -0.01 0.00 0.00 64.34 64.33 1rmj n VAL 18 Cb 0.84 -0.20 -0.14 0.00 -0.91 0.00 0.00 33.84 33.43 1rmj n VAL 18 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1rmj h TYR 19 N 0.00 0.16 0.01 3.52 0.05 -1.91 0.27 116.97 119.08 1rmj h TYR 19 Ca 0.00 -0.12 -0.27 0.00 0.05 0.00 0.00 58.73 58.39 1rmj h TYR 19 Cb 0.56 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 1rmj h TYR 19 CO 0.00 1.16 -1.49 0.00 -1.05 0.00 0.00 178.16 176.78 1rmj h ARG 20 N 0.02 0.03 -0.43 4.88 -0.00 -1.84 -3.33 114.38 113.70 1rmj h ARG 20 Ca -0.21 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.22 1rmj h ARG 20 Cb 1.96 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.94 1rmj h ARG 20 CO 0.12 0.71 0.00 0.41 0.00 0.00 0.00 179.97 181.20 1rmj n GLY 21 N 1.51 2.01 0.25 0.04 0.00 -0.95 -4.64 105.19 103.42 1rmj n GLY 21 Ca -0.12 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 3.50 1.34 -0.04 4.61 0.00 -0.57 0.71 119.26 128.80 1rmj h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rmj h ALA 22 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rmj h ALA 22 CO 0.00 -0.34 0.00 1.04 0.00 0.00 0.00 179.25 179.95 1rmj n GLN 23 N -2.44 0.96 -2.65 0.00 6.02 -1.25 -1.74 117.38 116.28 1rmj n GLN 23 Ca -0.01 -1.34 -0.02 0.00 -0.01 0.00 0.00 57.00 55.62 1rmj n GLN 23 Cb 0.42 -1.26 0.13 0.00 1.02 0.00 0.00 30.24 30.56 1rmj n GLN 23 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rmj n THR 24 N 0.73 0.00 -2.44 5.09 -2.24 0.20 -4.13 114.28 111.49 1rmj n THR 24 Ca 0.08 -0.98 -0.43 0.00 -2.27 0.00 0.00 64.05 60.45 1rmj n THR 24 Cb 0.34 0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 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 -4.06 4.19 -0.08 3.22 1.43 0.12 -4.57 118.68 118.93 1rmj s LEU 25 Ca 0.09 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1rmj s LEU 25 Cb 0.44 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 1rmj s LEU 25 CO -0.13 -0.73 -0.11 -0.47 0.23 0.00 0.00 176.35 175.14 1rmj s TYR 26 N 3.27 2.81 -0.21 0.29 5.04 -1.26 0.19 117.35 127.48 1rmj s TYR 26 Ca 0.54 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.93 1rmj s TYR 26 Cb -0.22 -1.73 0.04 0.00 0.35 0.00 0.00 41.96 40.40 1rmj s TYR 26 CO 0.15 0.10 -0.15 0.08 -1.34 0.00 0.00 175.55 174.39 1rmj s VAL 27 N -0.37 2.02 0.14 3.14 1.01 0.93 -4.92 120.40 122.34 1rmj s VAL 27 Ca 0.04 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.52 1rmj s VAL 27 Cb -0.12 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 1rmj s VAL 27 CO 0.02 0.25 0.89 -2.16 0.00 0.00 0.00 175.10 174.11 1rmj s PRO 28 N 1.24 4.68 0.08 2.72 0.04 -1.26 -1.32 135.00 141.18 1rmj s PRO 28 Ca -0.02 1.34 -0.23 0.00 0.04 0.00 0.00 61.00 62.14 1rmj s PRO 28 Cb -0.16 -3.33 -0.07 0.00 0.04 0.00 0.00 34.50 30.98 1rmj s PRO 28 CO -0.09 0.35 0.68 1.21 0.04 0.00 0.00 177.00 179.19 1rmj s ASN 29 N -0.47 7.18 0.02 6.66 2.47 -0.73 -4.80 114.94 125.28 1rmj s ASN 29 Ca 0.42 1.41 0.03 0.00 0.42 0.00 0.00 52.86 55.13 1rmj s ASN 29 Cb -0.23 -2.43 -0.02 0.00 -1.45 0.00 0.00 41.25 37.12 1rmj s ASN 29 CO 0.28 0.17 -0.08 0.00 -3.72 0.00 0.00 177.10 173.75 1rmj s ASP 31 N -0.89 5.01 0.66 0.00 1.11 -1.23 -4.88 116.67 116.45 1rmj s ASP 31 Ca -0.03 -0.91 0.18 0.00 0.18 0.00 0.00 52.55 51.97 1rmj s ASP 31 Cb -0.06 0.13 0.98 0.00 1.07 0.00 0.00 42.92 45.03 1rmj s ASP 31 CO 0.00 -1.13 1.55 1.12 1.18 0.00 0.00 175.17 177.89 1rmj h HIS 32 N 0.50 0.00 0.00 4.23 2.07 -1.94 0.24 115.15 120.25 1rmj h HIS 32 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1rmj h HIS 32 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 1rmj h HIS 32 CO 0.60 0.00 0.00 -2.13 -3.07 0.00 0.00 177.93 173.33 1rmj n ARG 33 N -2.74 0.75 -0.75 5.12 3.00 -1.26 0.11 116.66 120.89 1rmj n ARG 33 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1rmj n ARG 33 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.60 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 0.94 0.35 3.99 5.14 0.00 0.84 -3.82 105.19 112.63 1rmj n GLY 34 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.02 2.95 -1.04 1.61 0.40 -1.26 -1.42 117.98 117.20 1rmj s PHE 35 Ca 0.00 -0.21 -0.23 0.00 -0.60 0.00 0.00 56.93 55.88 1rmj s PHE 35 Cb 0.00 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1rmj s PHE 35 CO 0.00 -0.37 1.88 0.71 0.70 0.00 0.00 175.22 178.14 1rmj s TYR 36 N -2.39 2.00 -0.05 0.36 2.02 -1.16 -3.58 117.35 114.56 1rmj s TYR 36 Ca 0.52 0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 57.43 1rmj s TYR 36 Cb -0.10 -4.15 -0.02 0.00 -0.40 0.00 0.00 41.96 37.29 1rmj s TYR 36 CO 0.34 -1.58 0.21 -0.09 -1.57 0.00 0.00 175.55 172.86 1rmj h ARG 37 N 10.31 -0.13 0.00 -0.62 2.43 -1.68 -3.01 114.38 121.69 1rmj h ARG 37 Ca 0.18 0.01 -0.43 0.00 -0.81 0.00 0.00 59.98 58.93 1rmj h ARG 37 Cb 0.97 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 1rmj h ARG 37 CO 1.26 -0.09 -2.34 1.17 -1.51 0.00 0.00 179.97 178.45 1rmj n LYS 38 N -3.93 0.59 -4.51 0.20 4.81 -1.25 -3.07 118.16 111.00 1rmj n LYS 38 Ca -0.02 0.31 -0.26 0.00 -0.87 0.00 0.00 58.31 57.47 1rmj n LYS 38 Cb 0.06 -1.53 -0.10 0.00 0.02 0.00 0.00 35.03 33.47 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 -2.49 1.87 -0.07 1.64 3.52 -1.26 0.18 118.95 122.35 1rmj s ARG 39 Ca -0.37 -1.91 -0.03 0.00 -0.13 0.00 0.00 55.73 53.30 1rmj s ARG 39 Cb 0.13 -1.75 0.04 0.00 -1.56 0.00 0.00 34.95 31.82 1rmj s ARG 39 CO 0.51 0.13 0.13 -0.65 -0.81 0.00 0.00 175.30 174.62 1rmj s GLN 40 N -3.63 0.03 -0.05 5.12 -0.21 -0.11 -1.77 119.66 119.03 1rmj s GLN 40 Ca 0.33 0.44 0.05 0.00 0.02 0.00 0.00 55.36 56.20 1rmj s GLN 40 Cb 0.02 -0.28 -0.02 0.00 1.00 0.00 0.00 33.01 33.73 1rmj s GLN 40 CO 0.17 -0.26 -0.20 0.00 -2.12 0.00 0.00 175.29 172.89 1rmj s ARG 42 N -0.45 1.39 -0.08 0.00 3.52 -1.22 -0.05 118.95 122.05 1rmj s ARG 42 Ca 0.05 -1.19 0.02 0.00 -0.13 0.00 0.00 55.73 54.48 1rmj s ARG 42 Cb -0.12 -1.71 0.01 0.00 -1.56 0.00 0.00 34.95 31.58 1rmj s ARG 42 CO 0.01 0.41 -0.15 -1.12 -0.81 0.00 0.00 175.30 173.65 1rmj s SER 43 N -1.74 2.17 0.29 -2.12 0.01 0.50 -2.59 113.70 110.22 1rmj s SER 43 Ca 0.10 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.05 1rmj s SER 43 Cb -0.10 -0.99 -0.06 0.00 0.21 0.00 0.00 66.02 65.08 1rmj s SER 43 CO 0.04 0.05 -0.02 -0.44 0.41 0.00 0.00 173.24 173.28 1rmj s SER 44 N 0.67 2.65 0.57 2.44 0.01 -0.95 -0.22 113.70 118.88 1rmj s SER 44 Ca -0.14 -1.25 0.29 0.00 1.31 0.00 0.00 55.95 56.17 1rmj s SER 44 Cb -0.16 -0.15 1.46 0.00 0.21 0.00 0.00 66.02 67.39 1rmj s SER 44 CO 0.04 -0.43 1.89 1.56 0.41 0.00 0.00 173.24 176.71 1rmj h GLN 45 N 2.23 0.00 0.00 12.44 1.08 -1.60 0.26 115.11 129.51 1rmj h GLN 45 Ca -0.40 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 1rmj h GLN 45 Cb 1.24 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 1rmj h GLN 45 CO 0.68 0.00 -0.20 0.78 -0.95 0.00 0.00 178.83 179.15 1rmj h GLY 46 N 0.00 0.00 -5.01 3.46 0.00 -1.93 -3.42 103.07 96.16 1rmj h GLY 46 Ca 0.29 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.69 1rmj h GLY 46 CO -0.00 0.00 -0.10 1.62 0.00 0.00 0.00 176.54 178.06 1rmj s GLN 47 N -4.02 0.60 0.57 4.80 -0.44 0.91 -5.03 119.66 117.06 1rmj s GLN 47 Ca -0.02 1.40 0.32 0.00 -2.50 0.00 0.00 55.36 54.57 1rmj s GLN 47 Cb 0.12 0.73 1.73 0.00 -1.64 0.00 0.00 33.01 33.96 1rmj s GLN 47 CO 0.62 -0.19 2.16 0.00 0.50 0.00 0.00 175.29 178.39 1rmj h ARG 48 N 7.79 0.00 -1.94 1.67 -0.00 -1.83 -2.52 114.38 117.55 1rmj h ARG 48 Ca -0.20 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.77 1rmj h ARG 48 Cb 1.13 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.69 1rmj h ARG 48 CO 0.11 0.06 -1.00 0.54 0.00 0.00 0.00 179.97 179.68 1rmj n ARG 49 N -3.49 1.84 -3.60 0.04 1.74 -1.26 -4.68 116.66 107.25 1rmj n ARG 49 Ca -0.02 -3.89 0.00 0.00 -0.77 0.00 0.00 57.85 53.17 1rmj n ARG 49 Cb 0.18 -1.85 -0.01 0.00 -1.02 0.00 0.00 32.46 29.76 1rmj n ARG 49 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1rmj s GLY 50 N -2.90 -0.35 0.04 -0.13 0.00 -1.07 -4.59 107.32 98.32 1rmj s GLY 50 Ca 0.42 1.39 -0.20 0.00 0.00 0.00 0.00 44.72 46.33 1rmj s GLY 50 CO -0.09 0.39 0.58 2.56 0.00 0.00 0.00 173.10 176.54 1rmj s PRO 51 N -2.11 4.24 0.17 2.90 0.04 -1.13 -3.12 135.00 136.00 1rmj s PRO 51 Ca 0.13 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 61.82 1rmj s PRO 51 Cb 0.03 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1rmj s PRO 51 CO -0.04 0.54 0.45 0.00 0.04 0.00 0.00 177.00 177.99 1rmj s TRP 53 N -1.68 0.34 0.47 0.00 -2.14 -0.58 -4.82 118.94 110.51 1rmj s TRP 53 Ca 0.42 -0.73 -0.16 0.00 2.66 0.00 0.00 56.10 58.29 1rmj s TRP 53 Cb -0.12 -0.25 -0.08 0.00 -3.10 0.00 0.00 33.47 29.92 1rmj s TRP 53 CO 0.22 -0.34 0.93 0.00 -2.66 0.00 0.00 176.95 175.10 1rmj s VAL 55 N -2.45 0.04 0.65 0.00 -7.23 0.47 -1.73 120.40 110.16 1rmj s VAL 55 Ca 0.58 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1rmj s VAL 55 Cb -0.10 -2.10 0.09 0.00 0.56 0.00 0.00 36.38 34.84 1rmj s VAL 55 CO 0.26 -0.18 0.90 1.51 -0.31 0.00 0.00 175.10 177.29 1rmj s ASP 56 N -3.03 4.74 0.52 4.85 1.47 -1.06 -3.95 116.67 120.21 1rmj s ASP 56 Ca 0.24 -0.25 0.42 0.00 1.18 0.00 0.00 52.55 54.14 1rmj s ASP 56 Cb 0.04 -0.33 1.62 0.00 -0.34 0.00 0.00 42.92 43.90 1rmj s ASP 56 CO 0.05 -1.56 1.63 0.08 0.68 0.00 0.00 175.17 176.05 1rmj h ARG 57 N -0.27 0.03 0.00 2.11 0.11 -1.58 1.19 114.38 115.97 1rmj h ARG 57 Ca -0.38 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1rmj h ARG 57 Cb 1.28 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1rmj h ARG 57 CO 0.45 0.02 0.00 1.98 0.10 0.00 0.00 179.97 182.52 1rmj h MET 58 N 0.03 0.00 -0.07 0.08 1.85 -1.88 -3.06 114.93 111.87 1rmj h MET 58 Ca 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.93 1rmj h MET 58 Cb 3.16 0.00 0.00 0.00 0.43 0.00 0.00 31.60 35.19 1rmj h MET 58 CO -0.13 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 176.79 1rmj n GLY 59 N 0.97 1.41 3.74 1.39 0.00 0.41 -4.66 105.19 108.45 1rmj n GLY 59 Ca 0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.70 4.18 -0.27 1.61 2.20 -1.25 -4.83 119.74 119.68 1rmj s LYS 60 Ca 0.00 -0.12 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 1rmj s LYS 60 Cb 0.00 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 1rmj s LYS 60 CO 0.00 0.30 2.26 0.43 -0.36 0.00 0.00 175.35 177.99 1rmj n SER 61 N 3.46 3.05 -4.80 1.43 7.64 -1.26 -2.56 113.62 120.57 1rmj n SER 61 Ca -0.15 0.08 -0.34 0.00 1.01 0.00 0.00 58.87 59.47 1rmj n SER 61 Cb 0.52 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 1rmj n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rmj s LEU 62 N 9.00 3.90 0.00 -3.43 1.43 -0.71 -4.98 118.68 123.90 1rmj s LEU 62 Ca 1.01 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 1rmj s LEU 62 Cb -0.33 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.37 1rmj s LEU 62 CO 0.34 -0.63 0.00 -0.81 0.23 0.00 0.00 176.35 175.49 1rmj n PRO 63 N -0.78 0.21 -4.32 1.29 -0.04 -1.26 -4.80 135.00 125.30 1rmj n PRO 63 Ca 0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.35 1rmj n PRO 63 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 1rmj n PRO 63 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1rmj s GLY 64 N -1.91 1.34 0.23 0.55 0.00 -1.26 -4.61 107.32 101.66 1rmj s GLY 64 Ca 0.00 -1.52 0.07 0.00 0.00 0.00 0.00 44.72 43.26 1rmj s GLY 64 CO 0.00 -1.59 0.18 -1.35 0.00 0.00 0.00 173.10 170.34 1rmj s SER 65 N -2.90 5.52 0.40 1.64 1.04 -1.26 -5.00 113.70 113.14 1rmj s SER 65 Ca 0.17 -0.22 0.29 0.00 0.48 0.00 0.00 55.95 56.67 1rmj s SER 65 Cb -0.03 -1.42 1.23 0.00 0.10 0.00 0.00 66.02 65.90 1rmj s SER 65 CO 0.06 -0.01 1.85 1.55 0.98 0.00 0.00 173.24 177.67 1rmj h PRO 66 N 1.73 0.00 0.00 4.02 0.13 -2.01 -2.57 132.00 133.30 1rmj h PRO 66 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1rmj h PRO 66 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rmj h PRO 66 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1rmj n ASP 67 N -2.61 0.34 0.00 1.44 5.75 -1.26 -4.85 116.55 115.36 1rmj n ASP 67 Ca 0.01 0.59 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 1rmj n ASP 67 Cb 0.23 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rmj n GLY 68 N -0.11 0.41 3.67 6.12 0.00 -0.97 -5.04 105.19 109.28 1rmj n GLY 68 Ca 0.02 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1rmj n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rmj s ASN 69 N -2.97 2.89 -1.11 1.61 2.47 -1.26 -4.82 114.94 111.74 1rmj s ASN 69 Ca 0.00 1.48 -0.14 0.00 0.42 0.00 0.00 52.86 54.61 1rmj s ASN 69 Cb 0.00 -2.15 -0.07 0.00 -1.45 0.00 0.00 41.25 37.58 1rmj s ASN 69 CO 0.00 -3.01 2.20 0.61 -3.72 0.00 0.00 177.10 173.18 1rmj n GLY 70 N -0.74 3.44 0.10 1.21 0.00 -1.26 -4.55 105.19 103.39 1rmj n GLY 70 Ca 0.06 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 6.61 0.26 0.65 1.61 0.02 -1.88 -3.32 113.55 117.51 1rmj h SER 71 Ca 0.54 -0.83 -0.19 0.00 -0.84 0.00 0.00 61.79 60.47 1rmj h SER 71 Cb 0.49 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1rmj h SER 71 CO 1.80 1.06 -0.87 0.28 -1.14 0.00 0.00 176.83 177.96 1rmj h SER 72 N -0.51 0.19 -3.03 3.07 0.02 -1.81 -3.32 113.55 108.15 1rmj h SER 72 Ca -0.05 -0.16 -0.60 0.00 -0.84 0.00 0.00 61.79 60.14 1rmj h SER 72 Cb 1.13 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1rmj h SER 72 CO 0.06 0.97 -0.38 -0.44 -1.14 0.00 0.00 176.83 175.90 1rmj s SER 73 N -6.89 6.46 0.24 3.07 0.01 -1.25 -2.34 113.70 113.00 1rmj s SER 73 Ca -0.02 0.50 0.11 0.00 1.31 0.00 0.00 55.95 57.85 1rmj s SER 73 Cb 0.10 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 1rmj s SER 73 CO 0.82 0.14 -0.15 0.00 0.41 0.00 0.00 173.24 174.45 1rmj n PRO 75 N -0.39 0.00 -2.07 0.00 -0.04 -1.26 -4.37 135.00 126.88 1rmj n PRO 75 Ca -0.08 0.47 -0.31 0.00 -0.04 0.00 0.00 63.50 63.55 1rmj n PRO 75 Cb 0.58 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.70 1rmj n PRO 75 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rmj s THR 76 N -2.22 3.44 -0.35 0.52 -4.23 -1.26 -4.74 115.64 106.80 1rmj s THR 76 Ca 0.00 -0.21 0.15 0.00 -1.18 0.00 0.00 61.69 60.45 1rmj s THR 76 Cb 0.00 -4.03 0.45 0.00 1.34 0.00 0.00 72.50 70.27 1rmj s THR 76 CO 0.00 -0.97 1.01 0.61 -0.54 0.00 0.00 174.62 174.72 1rmj n GLY 77 N 6.51 2.84 3.07 3.99 0.00 -1.26 -4.96 105.19 115.38 1rmj n GLY 77 Ca 0.34 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.22 4.17 -3.35 1.61 7.64 -1.26 -4.84 113.62 117.37 1rmj n SER 78 Ca 0.18 -2.86 -0.37 0.00 1.01 0.00 0.00 58.87 56.83 1rmj n SER 78 Cb 0.78 -1.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.29 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 7.20 7.33 0.00 6.43 7.64 -1.26 -5.29 113.62 135.66 1rmj n SER 79 Ca 0.51 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1rmj n SER 79 Cb 0.42 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64