#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 0.00 -1.18 1.43 4.19 -1.26 -3.74 117.16 116.59 1rmj n TYR -26 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1rmj n TYR -26 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1rmj n TYR -26 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 1rmj n TYR -25 N -0.39 0.00 -3.21 2.98 9.36 -1.26 -0.39 117.16 124.25 1rmj n TYR -25 Ca 0.00 0.00 -0.46 0.00 3.32 0.00 0.00 57.90 60.76 1rmj n TYR -25 Cb 0.00 0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 38.70 1rmj n TYR -25 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1rmj s HIS -24 N 0.00 3.46 -1.27 2.98 2.46 -1.26 -4.41 115.29 117.26 1rmj s HIS -24 Ca 0.00 -1.65 -0.01 0.00 0.47 0.00 0.00 55.06 53.87 1rmj s HIS -24 Cb 0.00 -3.95 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 1rmj s HIS -24 CO 0.00 -1.15 0.13 1.58 -2.47 0.00 0.00 174.74 172.83 1rmj n HIS -23 N 5.01 -0.94 0.00 3.88 -0.00 -1.22 -4.45 115.22 117.49 1rmj n HIS -23 Ca 0.10 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 1rmj n HIS -23 Cb 0.46 -3.31 0.00 0.00 -0.00 0.00 0.00 29.99 27.14 1rmj n HIS -23 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1rmj n HIS -22 N -4.06 0.00 -1.34 1.57 -0.00 0.48 -4.82 115.22 107.04 1rmj n HIS -22 Ca -0.15 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.68 1rmj n HIS -22 Cb 0.62 0.00 0.11 0.00 -0.12 0.00 0.00 29.99 30.60 1rmj n HIS -22 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1rmj n HIS -21 N 0.00 1.51 -3.63 1.57 -0.00 -1.26 -4.90 115.22 108.52 1rmj n HIS -21 Ca 0.00 0.41 -0.27 0.00 -0.00 0.00 0.00 57.72 57.86 1rmj n HIS -21 Cb 0.00 -2.17 -0.16 0.00 -0.00 0.00 0.00 29.99 27.66 1rmj n HIS -21 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1rmj s HIS -20 N -1.84 0.52 0.70 1.57 4.02 -1.26 -4.84 115.29 114.16 1rmj s HIS -20 Ca 0.77 -0.70 -0.16 0.00 1.02 0.00 0.00 55.06 56.00 1rmj s HIS -20 Cb -0.33 -0.90 0.02 0.00 -1.02 0.00 0.00 32.58 30.36 1rmj s HIS -20 CO 0.47 -0.65 1.21 -1.01 1.02 0.00 0.00 174.74 175.78 1rmj s HIS -19 N 2.03 2.12 0.40 1.40 3.76 -1.26 -5.04 115.29 118.71 1rmj s HIS -19 Ca 0.04 1.58 0.08 0.00 -0.15 0.00 0.00 55.06 56.60 1rmj s HIS -19 Cb -0.16 -3.47 -0.04 0.00 1.11 0.00 0.00 32.58 30.01 1rmj s HIS -19 CO -0.18 -2.54 0.22 0.16 -0.85 0.00 0.00 174.74 171.56 1rmj s ASP -18 N -1.97 4.62 -0.86 1.40 -4.77 -1.26 -5.07 116.67 108.76 1rmj s ASP -18 Ca 0.75 -0.95 -0.14 0.00 -3.30 0.00 0.00 52.55 48.90 1rmj s ASP -18 Cb -0.29 -0.54 0.21 0.00 -1.09 0.00 0.00 42.92 41.21 1rmj s ASP -18 CO 0.43 -0.53 0.85 -0.31 0.70 0.00 0.00 175.17 176.30 1rmj s TYR -17 N -2.54 3.70 -0.96 2.11 1.51 -1.26 -4.94 117.35 114.97 1rmj s TYR -17 Ca 0.42 -1.95 -0.12 0.00 -1.01 0.00 0.00 57.07 54.42 1rmj s TYR -17 Cb 0.01 -3.89 -0.08 0.00 -0.11 0.00 0.00 41.96 37.89 1rmj s TYR -17 CO 0.24 -1.06 2.12 -3.47 -1.11 0.00 0.00 175.55 172.26 1rmj n ASP -16 N 4.29 4.39 -4.17 2.29 -0.08 -1.26 -4.82 116.55 117.19 1rmj n ASP -16 Ca 0.16 -2.48 -0.32 0.00 -1.51 0.00 0.00 54.79 50.64 1rmj n ASP -16 Cb 0.47 -1.17 -0.17 0.00 2.34 0.00 0.00 41.12 42.59 1rmj n ASP -16 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1rmj s ILE -15 N 3.80 1.99 -0.83 5.18 1.01 -1.26 -5.02 121.20 126.07 1rmj s ILE -15 Ca 0.47 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.92 1rmj s ILE -15 Cb 0.12 -1.75 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 1rmj s ILE -15 CO 0.01 0.54 2.07 -2.16 0.00 0.00 0.00 174.94 175.40 1rmj s PRO -14 N 0.66 2.31 -0.24 2.79 0.04 -1.26 -4.92 135.00 134.38 1rmj s PRO -14 Ca -0.11 0.07 -0.05 0.00 0.04 0.00 0.00 61.00 60.95 1rmj s PRO -14 Cb -0.16 -4.90 -0.01 0.00 0.04 0.00 0.00 34.50 29.47 1rmj s PRO -14 CO 0.02 -3.56 -0.01 0.95 0.04 0.00 0.00 177.00 174.43 1rmj s THR -13 N 11.20 3.55 -0.17 1.26 -4.23 -1.26 -4.51 115.64 121.47 1rmj s THR -13 Ca 0.76 -0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 60.61 1rmj s THR -13 Cb -0.09 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 1rmj s THR -13 CO 0.05 0.34 -0.25 0.35 -0.54 0.00 0.00 174.62 174.57 1rmj n THR -12 N 4.81 1.47 0.83 3.99 -2.24 -1.26 -4.41 114.28 117.47 1rmj n THR -12 Ca -0.17 0.12 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1rmj n THR -12 Cb 0.50 -2.31 0.03 0.00 -2.10 0.00 0.00 70.33 66.45 1rmj n THR -12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rmj n GLU -11 N -4.51 1.24 -0.28 -0.78 4.71 -1.26 -3.92 120.64 115.85 1rmj n GLU -11 Ca -0.15 -0.26 0.08 0.00 -0.01 0.00 0.00 57.16 56.81 1rmj n GLU -11 Cb 0.45 -1.38 0.23 0.00 -1.01 0.00 0.00 31.44 29.73 1rmj n GLU -11 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1rmj n ASN -10 N 0.17 2.84 -0.07 1.62 4.05 -1.26 -4.36 115.26 118.25 1rmj n ASN -10 Ca 0.03 -2.04 -0.13 0.00 0.45 0.00 0.00 54.58 52.89 1rmj n ASN -10 Cb 0.44 -0.36 -0.12 0.00 1.23 0.00 0.00 39.78 40.96 1rmj n ASN -10 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1rmj h LEU -9 N 2.98 -0.00 -0.40 1.20 6.46 -1.90 -3.34 115.31 120.32 1rmj h LEU -9 Ca 0.00 -0.94 0.00 0.00 -0.12 0.00 0.00 57.88 56.82 1rmj h LEU -9 Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1rmj h LEU -9 CO 0.02 0.96 0.00 -1.22 -0.62 0.00 0.00 178.44 177.58 1rmj n TYR -8 N -4.62 0.04 -3.59 1.25 4.02 -1.26 -4.87 117.16 108.13 1rmj n TYR -8 Ca -0.10 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.90 57.69 1rmj n TYR -8 Cb 0.45 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 1rmj n TYR -8 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1rmj s PHE -7 N -1.96 -0.29 -0.03 -0.72 5.36 -1.25 -5.06 117.98 114.02 1rmj s PHE -7 Ca 0.37 0.47 0.16 0.00 -0.96 0.00 0.00 56.93 56.97 1rmj s PHE -7 Cb 0.18 0.47 0.29 0.00 -0.34 0.00 0.00 43.02 43.62 1rmj s PHE -7 CO 0.29 -0.29 1.13 1.04 -1.46 0.00 0.00 175.22 175.93 1rmj n GLN -6 N 0.59 0.27 0.00 10.12 6.02 -1.26 -4.46 117.38 128.66 1rmj n GLN -6 Ca -0.08 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.01 1rmj n GLN -6 Cb 0.58 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.41 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 0.03 1.77 0.00 1.08 0.00 -1.26 -5.14 105.19 101.67 1rmj n GLY -5 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.46 4.61 0.00 -1.26 -4.94 120.51 113.46 1rmj n ALA -4 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1rmj n ALA -4 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1rmj n ALA -4 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rmj s MET -3 N 0.32 2.59 -0.95 0.00 1.00 -1.26 -4.56 119.30 116.43 1rmj s MET -3 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 55.69 54.20 1rmj s MET -3 Cb 0.00 -2.37 -0.12 0.00 0.00 0.00 0.00 34.83 32.34 1rmj s MET -3 CO 0.00 0.05 3.13 0.41 0.00 0.00 0.00 175.02 178.61 1rmj n GLY -2 N -1.34 3.91 3.65 -0.03 0.00 0.32 -4.75 105.19 106.95 1rmj n GLY -2 Ca -0.01 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 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 2.85 -0.18 -2.11 1.61 7.64 -1.26 -4.66 113.62 117.50 1rmj n SER -1 Ca 0.63 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1rmj n SER -1 Cb 0.49 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1rmj n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rmj n GLY 1 N -1.84 -0.49 0.31 0.23 0.00 -1.25 -4.78 105.19 97.37 1rmj n GLY 1 Ca -0.16 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 1rmj n GLY 1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rmj h PRO 2 N 0.00 1.08 -0.27 1.61 0.13 -1.84 -2.07 132.00 130.65 1rmj h PRO 2 Ca 0.00 -0.30 -0.15 0.00 -0.87 0.00 0.00 66.00 64.68 1rmj h PRO 2 Cb 0.00 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.01 1rmj h PRO 2 CO 0.00 1.01 -0.41 0.00 -0.23 0.00 0.00 178.00 178.36 1rmj h ARG 4 N 0.49 0.32 -0.40 0.00 1.12 -0.53 0.56 114.38 115.95 1rmj h ARG 4 Ca 0.02 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 1rmj h ARG 4 Cb 1.01 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 1rmj h ARG 4 CO 0.09 0.21 -0.25 0.00 -3.11 0.00 0.00 179.97 176.92 1rmj h ARG 5 N 0.33 0.81 -0.81 0.20 3.08 -1.28 0.87 114.38 117.59 1rmj h ARG 5 Ca 0.24 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1rmj h ARG 5 Cb 0.28 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1rmj h ARG 5 CO -0.26 0.97 0.52 1.25 -1.07 0.00 0.00 179.97 181.38 1rmj h HIS 6 N 0.70 1.04 -0.14 3.04 2.76 0.51 0.23 115.15 123.28 1rmj h HIS 6 Ca 0.09 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1rmj h HIS 6 Cb 0.77 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1rmj h HIS 6 CO 0.04 0.67 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.26 1rmj h LEU 7 N 1.10 0.26 -0.59 0.26 3.38 0.45 0.23 115.31 120.39 1rmj h LEU 7 Ca 0.29 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1rmj h LEU 7 Cb -0.09 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1rmj h LEU 7 CO -0.06 0.52 0.27 -0.78 0.09 0.00 0.00 178.44 178.49 1rmj h ASP 8 N -0.02 0.35 -0.03 -0.43 3.58 -0.32 1.44 116.42 120.99 1rmj h ASP 8 Ca 0.04 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1rmj h ASP 8 Cb 0.40 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 1rmj h ASP 8 CO 0.01 0.22 0.00 0.28 -2.88 0.00 0.00 179.24 176.87 1rmj h SER 9 N 0.50 0.05 -0.71 2.28 0.02 -0.42 -0.76 113.55 114.52 1rmj h SER 9 Ca 0.28 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1rmj h SER 9 Cb 0.26 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1rmj h SER 9 CO -0.23 0.33 0.47 0.58 -1.14 0.00 0.00 176.83 176.84 1rmj h VAL 10 N -0.23 1.18 -0.01 2.27 2.07 0.17 0.83 116.25 122.53 1rmj h VAL 10 Ca 0.01 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1rmj h VAL 10 Cb 0.30 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1rmj h VAL 10 CO 0.00 0.18 -0.11 0.25 0.02 0.00 0.00 177.57 177.91 1rmj h LEU 11 N 0.96 -0.31 -0.25 2.57 7.12 0.24 2.21 115.31 127.85 1rmj h LEU 11 Ca 0.26 0.05 -0.08 0.00 0.13 0.00 0.00 57.88 58.24 1rmj h LEU 11 Cb -0.11 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 1rmj h LEU 11 CO -0.06 -0.15 -0.16 1.56 -0.13 0.00 0.00 178.44 179.51 1rmj h GLN 12 N -0.18 0.55 0.00 1.25 4.20 -0.24 -3.19 115.11 117.51 1rmj h GLN 12 Ca 0.04 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 1rmj h GLN 12 Cb 0.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1rmj h GLN 12 CO -0.11 0.83 -0.53 1.96 -0.67 0.00 0.00 178.83 180.30 1rmj h GLN 13 N 0.28 0.00 -1.16 1.46 7.50 0.10 -3.32 115.11 119.97 1rmj h GLN 13 Ca 0.05 0.00 0.33 0.00 0.50 0.00 0.00 58.65 59.53 1rmj h GLN 13 Cb 0.68 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 28.11 1rmj h GLN 13 CO 0.04 0.53 0.76 1.25 -1.50 0.00 0.00 178.83 179.92 1rmj h LEU 14 N 0.00 0.31 -0.75 1.46 6.46 0.37 1.69 115.31 124.86 1rmj h LEU 14 Ca -0.01 0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1rmj h LEU 14 Cb 0.98 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 1rmj h LEU 14 CO 0.07 -0.00 -0.53 -0.61 -0.62 0.00 0.00 178.44 176.75 1rmj h GLN 15 N 0.24 0.00 0.00 1.25 4.15 -1.76 -3.27 115.11 115.72 1rmj h GLN 15 Ca 0.66 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.96 1rmj h GLN 15 Cb 1.96 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.63 1rmj h GLN 15 CO -0.28 0.53 -1.73 2.41 -1.93 0.00 0.00 178.83 177.83 1rmj n THR 16 N -3.62 0.44 -0.11 2.39 -1.04 0.90 -4.56 114.28 108.68 1rmj n THR 16 Ca -0.00 -0.42 0.05 0.00 -2.04 0.00 0.00 64.05 61.64 1rmj n THR 16 Cb 0.59 -0.26 0.25 0.00 -1.82 0.00 0.00 70.33 69.10 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 -2.22 3.30 -0.05 -2.82 -0.58 0.54 -4.27 120.64 114.54 1rmj n GLU 17 Ca -0.12 -1.97 0.03 0.00 -0.42 0.00 0.00 57.16 54.68 1rmj n GLU 17 Cb 0.63 -1.90 0.38 0.00 -0.57 0.00 0.00 31.44 29.98 1rmj n GLU 17 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1rmj h VAL 18 N 2.59 1.13 0.00 2.62 2.07 -1.76 -2.74 116.25 120.17 1rmj h VAL 18 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1rmj h VAL 18 Cb 1.33 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1rmj h VAL 18 CO 0.27 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1rmj n TYR 19 N -4.46 0.00 -0.26 1.57 4.11 -1.09 -2.46 117.16 114.57 1rmj n TYR 19 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.92 1rmj n TYR 19 Cb 0.06 -0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.43 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 0.11 -0.08 0.00 -3.48 -0.00 -1.75 -3.37 114.38 105.81 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 0.01 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.00 1rmj h ARG 20 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 179.97 180.33 1rmj n GLY 21 N -1.46 0.12 0.48 0.04 0.00 -1.26 -4.93 105.19 98.18 1rmj n GLY 21 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.85 1.49 -0.20 4.61 0.00 -1.26 -4.84 120.51 118.46 1rmj n ALA 22 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1rmj n ALA 22 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.78 0.72 -0.57 0.00 6.02 -1.03 -2.68 117.38 117.06 1rmj n GLN 23 Ca -0.01 -0.83 -0.08 0.00 -0.01 0.00 0.00 57.00 56.07 1rmj n GLN 23 Cb 0.05 -0.90 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.19 1.73 -2.46 5.09 -2.24 -1.07 -3.39 114.28 111.76 1rmj n THR 24 Ca 0.00 -0.88 -0.41 0.00 -2.27 0.00 0.00 64.05 60.49 1rmj n THR 24 Cb 0.17 -1.80 -0.04 0.00 -2.10 0.00 0.00 70.33 66.56 1rmj n THR 24 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rmj s LEU 25 N 0.01 4.49 0.13 3.22 2.96 0.43 -4.44 118.68 125.47 1rmj s LEU 25 Ca 0.38 2.17 -0.30 0.00 -0.22 0.00 0.00 54.13 56.16 1rmj s LEU 25 Cb 0.18 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.19 1rmj s LEU 25 CO -0.00 -0.26 1.11 -0.47 -1.32 0.00 0.00 176.35 175.41 1rmj s TYR 26 N -0.34 3.57 -0.15 5.38 5.04 -1.26 -0.96 117.35 128.62 1rmj s TYR 26 Ca 0.50 1.54 -0.01 0.00 -2.44 0.00 0.00 57.07 56.66 1rmj s TYR 26 Cb -0.31 -3.29 0.04 0.00 0.35 0.00 0.00 41.96 38.75 1rmj s TYR 26 CO 0.37 -0.69 -0.04 0.08 -1.34 0.00 0.00 175.55 173.92 1rmj s VAL 27 N 0.22 0.98 0.27 3.14 1.01 0.26 -4.91 120.40 121.37 1rmj s VAL 27 Ca 0.52 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1rmj s VAL 27 Cb -0.28 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 1rmj s VAL 27 CO 0.33 0.15 0.63 -2.16 0.00 0.00 0.00 175.10 174.05 1rmj s PRO 28 N 1.70 3.89 -0.14 2.72 0.04 -1.26 0.89 135.00 142.84 1rmj s PRO 28 Ca 0.02 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 61.44 1rmj s PRO 28 Cb -0.15 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1rmj s PRO 28 CO -0.08 0.25 0.09 1.21 0.04 0.00 0.00 177.00 178.52 1rmj s ASN 29 N -2.30 5.97 0.04 6.66 2.47 0.17 -4.84 114.94 123.10 1rmj s ASN 29 Ca 0.50 0.29 0.05 0.00 0.42 0.00 0.00 52.86 54.12 1rmj s ASN 29 Cb -0.11 -1.92 -0.02 0.00 -1.45 0.00 0.00 41.25 37.75 1rmj s ASN 29 CO 0.20 0.33 -0.14 0.00 -3.72 0.00 0.00 177.10 173.76 1rmj s ASP 31 N -1.16 4.16 0.64 0.00 -4.77 -1.09 -4.83 116.67 109.61 1rmj s ASP 31 Ca 0.01 -0.08 0.23 0.00 -3.30 0.00 0.00 52.55 49.42 1rmj s ASP 31 Cb -0.08 -0.28 1.17 0.00 -1.09 0.00 0.00 42.92 42.64 1rmj s ASP 31 CO 0.01 -2.00 1.65 0.45 0.70 0.00 0.00 175.17 175.98 1rmj h HIS 32 N -0.78 0.00 -0.01 2.11 3.86 -1.80 0.71 115.15 119.24 1rmj h HIS 32 Ca -0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 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 -0.33 0.00 0.00 -2.13 0.86 0.00 0.00 177.93 176.33 1rmj n ARG 33 N -3.08 1.03 -0.78 2.45 3.00 -1.26 0.12 116.66 118.12 1rmj n ARG 33 Ca 0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1rmj n ARG 33 Cb 0.73 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.89 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 0.81 0.31 3.95 5.14 0.00 0.25 -3.89 105.19 111.76 1rmj n GLY 34 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.88 2.46 -1.07 1.61 0.40 -1.26 0.29 117.98 118.53 1rmj s PHE 35 Ca 0.00 0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.32 1rmj s PHE 35 Cb 0.00 -3.18 0.09 0.00 0.51 0.00 0.00 43.02 40.44 1rmj s PHE 35 CO 0.00 -1.53 1.41 0.71 0.70 0.00 0.00 175.22 176.52 1rmj s TYR 36 N -3.21 2.84 -0.02 0.36 1.51 -1.20 -2.68 117.35 114.95 1rmj s TYR 36 Ca 0.63 -1.28 -0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1rmj s TYR 36 Cb -0.09 -4.56 -0.00 0.00 -0.11 0.00 0.00 41.96 37.21 1rmj s TYR 36 CO 0.44 -1.73 0.03 -0.09 -1.11 0.00 0.00 175.55 173.09 1rmj h ARG 37 N 8.84 -0.01 0.00 -0.62 2.43 -1.70 -2.94 114.38 120.38 1rmj h ARG 37 Ca 0.25 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.05 1rmj h ARG 37 Cb 0.97 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 1rmj h ARG 37 CO 1.33 -0.00 -2.27 1.63 -1.51 0.00 0.00 179.97 179.15 1rmj n LYS 38 N -2.51 0.51 -4.34 0.20 4.01 -1.26 -3.09 118.16 111.68 1rmj n LYS 38 Ca -0.00 0.18 -0.30 0.00 -0.51 0.00 0.00 58.31 57.68 1rmj n LYS 38 Cb 0.00 -1.37 -0.11 0.00 -0.51 0.00 0.00 35.03 33.04 1rmj n LYS 38 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1rmj s ARG 39 N -2.43 1.91 -0.03 1.97 3.52 -1.26 0.12 118.95 122.75 1rmj s ARG 39 Ca -0.31 -1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 54.17 1rmj s ARG 39 Cb 0.10 -2.17 0.03 0.00 -1.56 0.00 0.00 34.95 31.35 1rmj s ARG 39 CO 0.44 0.50 0.04 -0.65 -0.81 0.00 0.00 175.30 174.82 1rmj s GLN 40 N -2.04 0.02 -0.04 5.12 -1.52 -0.95 0.43 119.66 120.68 1rmj s GLN 40 Ca 0.18 0.27 0.06 0.00 -1.95 0.00 0.00 55.36 53.92 1rmj s GLN 40 Cb -0.11 -0.46 -0.02 0.00 -0.22 0.00 0.00 33.01 32.21 1rmj s GLN 40 CO 0.10 -0.26 -0.20 0.00 -0.25 0.00 0.00 175.29 174.68 1rmj s ARG 42 N -0.59 3.26 0.22 0.00 1.81 -0.96 0.91 118.95 123.59 1rmj s ARG 42 Ca 0.09 -0.57 0.10 0.00 -1.72 0.00 0.00 55.73 53.62 1rmj s ARG 42 Cb -0.11 -3.92 -0.05 0.00 -0.45 0.00 0.00 34.95 30.42 1rmj s ARG 42 CO 0.00 -0.81 -0.18 -1.12 -0.68 0.00 0.00 175.30 172.51 1rmj s SER 43 N 1.83 3.00 0.19 0.23 0.01 -0.13 -3.06 113.70 115.77 1rmj s SER 43 Ca 0.15 -0.97 0.08 0.00 1.31 0.00 0.00 55.95 56.51 1rmj s SER 43 Cb -0.16 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 1rmj s SER 43 CO 0.14 -0.04 0.02 -0.44 0.41 0.00 0.00 173.24 173.33 1rmj s SER 44 N -3.15 4.84 0.25 2.44 0.01 -1.18 -0.43 113.70 116.48 1rmj s SER 44 Ca 0.23 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 57.04 1rmj s SER 44 Cb -0.04 -1.04 0.47 0.00 0.21 0.00 0.00 66.02 65.61 1rmj s SER 44 CO 0.10 0.06 1.73 -0.61 0.41 0.00 0.00 173.24 174.93 1rmj h GLN 45 N 2.45 0.42 0.00 12.44 4.15 -1.91 -3.43 115.11 129.24 1rmj h GLN 45 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1rmj h GLN 45 Cb 1.21 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1rmj h GLN 45 CO 0.59 0.28 0.00 0.41 -1.93 0.00 0.00 178.83 178.18 1rmj n GLY 46 N -1.33 4.41 2.56 2.39 0.00 -1.26 -4.99 105.19 106.97 1rmj n GLY 46 Ca 0.14 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 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 4.37 -0.06 1.61 6.02 -1.26 -4.63 117.38 123.43 1rmj n GLN 47 Ca 0.00 -3.65 -0.05 0.00 -0.01 0.00 0.00 57.00 53.29 1rmj n GLN 47 Cb 0.00 -2.48 -0.03 0.00 1.02 0.00 0.00 30.24 28.74 1rmj n GLN 47 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1rmj h ARG 48 N 4.12 0.00 -2.74 -1.09 9.65 -1.94 -3.50 114.38 118.87 1rmj h ARG 48 Ca 0.60 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.51 1rmj h ARG 48 Cb 0.35 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 28.80 1rmj h ARG 48 CO 1.30 0.24 0.31 1.03 2.80 0.00 0.00 179.97 185.65 1rmj s ARG 49 N -1.88 1.13 0.00 0.20 0.52 -1.26 -5.07 118.95 112.58 1rmj s ARG 49 Ca -0.09 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1rmj s ARG 49 Cb 0.00 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.99 1rmj s ARG 49 CO 0.21 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.45 1rmj n GLY 50 N -0.33 0.41 3.80 -3.53 0.00 -1.25 -3.08 105.19 101.20 1rmj n GLY 50 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 2.50 2.94 0.34 1.61 0.04 -1.17 -4.32 135.00 136.93 1rmj s PRO 51 Ca 0.00 -0.77 0.02 0.00 0.04 0.00 0.00 61.00 60.28 1rmj s PRO 51 Cb 0.00 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1rmj s PRO 51 CO 0.00 0.52 0.52 0.00 0.04 0.00 0.00 177.00 178.08 1rmj s TRP 53 N -2.27 0.21 0.53 0.00 -2.14 -0.68 -4.37 118.94 110.21 1rmj s TRP 53 Ca 0.40 -0.57 -0.11 0.00 2.66 0.00 0.00 56.10 58.48 1rmj s TRP 53 Cb -0.09 0.12 -0.05 0.00 -3.10 0.00 0.00 33.47 30.34 1rmj s TRP 53 CO 0.35 -0.81 0.92 0.00 -2.66 0.00 0.00 176.95 174.75 1rmj s VAL 55 N -2.81 0.03 0.67 0.00 -7.23 0.32 0.19 120.40 111.59 1rmj s VAL 55 Ca 0.54 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1rmj s VAL 55 Cb -0.10 -2.00 0.11 0.00 0.56 0.00 0.00 36.38 34.95 1rmj s VAL 55 CO 0.42 -0.16 0.93 1.51 -0.31 0.00 0.00 175.10 177.50 1rmj s ASP 56 N -2.99 4.58 0.64 4.85 -4.77 -1.09 -4.01 116.67 113.88 1rmj s ASP 56 Ca 0.20 -0.49 0.23 0.00 -3.30 0.00 0.00 52.55 49.20 1rmj s ASP 56 Cb 0.02 0.05 1.22 0.00 -1.09 0.00 0.00 42.92 43.11 1rmj s ASP 56 CO 0.04 -1.70 1.68 0.08 0.70 0.00 0.00 175.17 175.97 1rmj h ARG 57 N -0.31 0.00 0.00 2.11 -0.00 -1.63 0.57 114.38 115.12 1rmj h ARG 57 Ca -0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.60 1rmj h ARG 57 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.24 1rmj h ARG 57 CO 0.40 0.00 -1.04 0.52 -0.00 0.00 0.00 179.97 179.85 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.86 -3.17 114.93 112.84 1rmj h MET 58 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1rmj h MET 58 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1rmj h MET 58 CO -0.00 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.45 1rmj n GLY 59 N 1.22 1.19 3.70 8.32 0.00 0.20 -4.58 105.19 115.24 1rmj n GLY 59 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 4.36 -0.21 1.61 2.20 -1.26 -4.70 119.74 121.27 1rmj s LYS 60 Ca 0.00 1.89 -0.30 0.00 -0.36 0.00 0.00 55.97 57.20 1rmj s LYS 60 Cb 0.00 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 32.85 1rmj s LYS 60 CO 0.00 -0.40 2.17 -1.13 -0.36 0.00 0.00 175.35 175.63 1rmj n SER 61 N 4.41 3.17 -4.95 1.43 3.41 -1.26 -2.66 113.62 117.17 1rmj n SER 61 Ca 0.11 0.36 -0.23 0.00 -0.26 0.00 0.00 58.87 58.84 1rmj n SER 61 Cb 0.45 -1.49 0.04 0.00 -0.26 0.00 0.00 64.21 62.94 1rmj n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rmj s LEU 62 N 7.50 3.24 0.00 1.04 1.43 0.51 -4.93 118.68 127.47 1rmj s LEU 62 Ca 1.01 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 1rmj s LEU 62 Cb -0.46 -3.07 0.20 0.00 0.03 0.00 0.00 46.19 42.89 1rmj s LEU 62 CO 0.39 -1.15 0.91 -0.81 0.23 0.00 0.00 176.35 175.92 1rmj n PRO 63 N -2.45 -1.82 0.00 1.29 -0.04 -1.26 -3.98 135.00 126.73 1rmj n PRO 63 Ca 0.06 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1rmj n PRO 63 Cb 0.59 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1rmj n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rmj n GLY 64 N -2.26 0.89 3.32 0.55 0.00 -1.26 -4.42 105.19 102.01 1rmj n GLY 64 Ca 0.12 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.26 3.73 0.00 1.61 0.01 -1.26 -4.34 113.70 113.19 1rmj s SER 65 Ca 0.00 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 56.92 1rmj s SER 65 Cb 0.00 -1.55 0.38 0.00 0.21 0.00 0.00 66.02 65.06 1rmj s SER 65 CO 0.00 0.16 0.92 -0.81 0.41 0.00 0.00 173.24 173.92 1rmj n PRO 66 N 3.53 0.61 0.00 12.44 -0.04 -1.26 -2.00 135.00 148.29 1rmj n PRO 66 Ca -0.18 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.34 1rmj n PRO 66 Cb 0.53 -1.16 0.32 0.00 -0.04 0.00 0.00 33.50 33.14 1rmj n PRO 66 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1rmj n ASP 67 N -0.66 0.00 0.00 3.54 2.03 -1.26 -4.66 116.55 115.54 1rmj n ASP 67 Ca 0.05 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1rmj n ASP 67 Cb 0.02 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rmj n GLY 68 N -0.08 0.23 2.45 0.27 0.00 -1.23 -4.98 105.19 101.85 1rmj n GLY 68 Ca 0.04 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1rmj n GLY 68 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rmj n ASN 69 N 0.00 6.95 -0.02 1.61 5.15 -1.21 -4.28 115.26 123.47 1rmj n ASN 69 Ca 0.00 -3.44 -0.01 0.00 -0.60 0.00 0.00 54.58 50.53 1rmj n ASN 69 Cb 0.00 -1.11 -0.04 0.00 -0.53 0.00 0.00 39.78 38.09 1rmj n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rmj n GLY 70 N 0.10 -0.26 0.34 8.20 0.00 -0.84 -4.14 105.19 108.59 1rmj n GLY 70 Ca 0.49 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.14 1.08 1.61 0.02 -1.78 -0.66 113.55 113.95 1rmj h SER 71 Ca -0.11 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.69 1rmj h SER 71 Cb 1.08 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1rmj h SER 71 CO 0.01 0.08 -0.72 0.77 -1.14 0.00 0.00 176.83 175.83 1rmj h SER 72 N 0.15 0.00 0.01 3.07 4.64 -1.90 -3.31 113.55 116.21 1rmj h SER 72 Ca 0.20 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.28 1rmj h SER 72 Cb 0.58 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1rmj h SER 72 CO -0.03 0.72 -0.93 0.28 -0.87 0.00 0.00 176.83 176.00 1rmj h SER 73 N 0.00 0.80 -5.18 4.97 0.02 -1.39 -3.47 113.55 109.30 1rmj h SER 73 Ca -0.01 -0.75 -0.11 0.00 -0.84 0.00 0.00 61.79 60.08 1rmj h SER 73 Cb 1.45 -0.24 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 1rmj h SER 73 CO 0.09 1.45 -0.55 0.00 -1.14 0.00 0.00 176.83 176.68 1rmj h PRO 75 N 3.13 -0.35 -4.04 0.00 0.13 -1.87 -3.34 132.00 125.65 1rmj h PRO 75 Ca -0.34 0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.14 1rmj h PRO 75 Cb 1.17 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1rmj h PRO 75 CO 0.60 -0.00 2.91 0.25 -0.23 0.00 0.00 178.00 181.52 1rmj n THR 76 N -5.07 2.96 0.00 1.56 -2.24 -1.26 -4.51 114.28 105.72 1rmj n THR 76 Ca -0.09 -2.46 0.00 0.00 -2.27 0.00 0.00 64.05 59.23 1rmj n THR 76 Cb 0.26 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.00 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 4.18 0.52 3.72 3.38 0.00 -1.25 -4.83 105.19 110.91 1rmj n GLY 77 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 0.80 7.07 -1.24 1.61 0.01 -1.26 -4.90 113.70 115.79 1rmj s SER 78 Ca 0.00 2.13 -0.15 0.00 1.31 0.00 0.00 55.95 59.25 1rmj s SER 78 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1rmj s SER 78 CO 0.00 -0.43 2.25 -1.20 0.41 0.00 0.00 173.24 174.27 1rmj n SER 79 N 3.29 4.40 0.00 2.44 7.64 -1.26 -5.05 113.62 125.08 1rmj n SER 79 Ca 0.07 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1rmj n SER 79 Cb 0.45 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64