#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 2.23 -1.62 1.43 9.36 -1.26 -4.69 117.16 122.61 1rmj n TYR -26 Ca 0.00 -2.74 -0.30 0.00 3.32 0.00 0.00 57.90 58.18 1rmj n TYR -26 Cb 0.00 -2.26 -0.05 0.00 -0.63 0.00 0.00 39.34 36.41 1rmj n TYR -26 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1rmj n TYR -25 N 4.14 1.83 0.69 2.98 0.18 -1.26 -4.67 117.16 121.05 1rmj n TYR -25 Ca 0.66 -2.18 -0.03 0.00 1.88 0.00 0.00 57.90 58.23 1rmj n TYR -25 Cb 0.23 -1.52 0.03 0.00 -0.38 0.00 0.00 39.34 37.70 1rmj n TYR -25 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1rmj n HIS -24 N 1.18 0.42 -3.89 -3.48 -0.00 -1.26 -4.74 115.22 103.44 1rmj n HIS -24 Ca 0.53 -0.60 -0.29 0.00 0.46 0.00 0.00 57.72 57.82 1rmj n HIS -24 Cb 0.48 -0.32 -0.16 0.00 -0.12 0.00 0.00 29.99 29.86 1rmj n HIS -24 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1rmj s HIS -23 N -0.59 1.82 0.13 1.57 3.76 -1.26 -5.12 115.29 115.60 1rmj s HIS -23 Ca 0.08 -1.22 -0.01 0.00 -0.15 0.00 0.00 55.06 53.76 1rmj s HIS -23 Cb 0.07 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 1rmj s HIS -23 CO 0.02 -0.65 0.06 -1.01 -0.85 0.00 0.00 174.74 172.31 1rmj s HIS -22 N 1.59 0.87 -0.47 1.40 3.76 -1.26 -5.12 115.29 116.06 1rmj s HIS -22 Ca -0.01 -1.24 0.03 0.00 -0.15 0.00 0.00 55.06 53.69 1rmj s HIS -22 Cb -0.16 -0.48 0.13 0.00 1.11 0.00 0.00 32.58 33.18 1rmj s HIS -22 CO -0.07 -0.53 0.25 -3.38 -0.85 0.00 0.00 174.74 170.16 1rmj s HIS -21 N -4.05 2.44 -0.37 1.40 -3.43 -1.26 -5.01 115.29 105.00 1rmj s HIS -21 Ca 0.25 -2.72 0.07 0.00 -0.80 0.00 0.00 55.06 51.86 1rmj s HIS -21 Cb 0.07 -2.23 0.18 0.00 -1.43 0.00 0.00 32.58 29.17 1rmj s HIS -21 CO 0.02 -0.76 0.58 -1.58 -2.00 0.00 0.00 174.74 171.00 1rmj s HIS -20 N 0.08 -1.53 0.00 0.38 5.04 -1.26 -5.13 115.29 112.86 1rmj s HIS -20 Ca 0.18 0.28 0.00 0.00 -1.54 0.00 0.00 55.06 53.98 1rmj s HIS -20 Cb -0.24 0.20 0.00 0.00 0.04 0.00 0.00 32.58 32.58 1rmj s HIS -20 CO -0.00 -1.12 0.00 1.58 -2.34 0.00 0.00 174.74 172.85 1rmj n HIS -19 N 4.64 0.00 -1.55 3.88 -0.00 -1.26 -5.02 115.22 115.91 1rmj n HIS -19 Ca 0.09 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.05 1rmj n HIS -19 Cb 0.54 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.36 1rmj n HIS -19 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1rmj n ASP -18 N 0.00 1.97 0.00 0.26 5.75 -1.26 -4.70 116.55 118.57 1rmj n ASP -18 Ca 0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 1rmj n ASP -18 Cb 0.00 -1.62 0.00 0.00 -1.03 0.00 0.00 41.12 38.47 1rmj n ASP -18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rmj n TYR -17 N 17.52 0.00 -3.76 2.11 9.36 -1.26 -4.96 117.16 136.17 1rmj n TYR -17 Ca 0.43 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 61.29 1rmj n TYR -17 Cb 0.47 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.07 1rmj n TYR -17 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1rmj s ASP -16 N -0.33 5.29 -0.32 2.98 2.15 -1.26 -5.06 116.67 120.12 1rmj s ASP -16 Ca 0.00 -2.06 -0.29 0.00 0.43 0.00 0.00 52.55 50.63 1rmj s ASP -16 Cb 0.00 -1.84 0.01 0.00 -0.30 0.00 0.00 42.92 40.78 1rmj s ASP -16 CO 0.00 -0.55 1.24 -0.63 -0.17 0.00 0.00 175.17 175.06 1rmj s ILE -15 N 1.11 4.23 -0.63 4.11 1.01 -1.26 -4.94 121.20 124.83 1rmj s ILE -15 Ca 0.08 1.39 -0.26 0.00 0.00 0.00 0.00 60.65 61.86 1rmj s ILE -15 Cb -0.23 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 1rmj s ILE -15 CO -0.04 -0.51 1.96 -2.16 0.00 0.00 0.00 174.94 174.19 1rmj s PRO -14 N 4.06 2.52 0.84 2.79 0.04 -1.26 -4.98 135.00 139.02 1rmj s PRO -14 Ca 0.53 0.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 1rmj s PRO -14 Cb -0.15 -4.50 0.18 0.00 0.04 0.00 0.00 34.50 30.07 1rmj s PRO -14 CO 0.22 -2.92 1.15 0.95 0.04 0.00 0.00 177.00 176.44 1rmj s THR -13 N 9.73 2.01 -0.07 1.26 -4.23 -1.26 -4.98 115.64 118.11 1rmj s THR -13 Ca 0.72 -0.40 -0.21 0.00 -1.18 0.00 0.00 61.69 60.63 1rmj s THR -13 Cb -0.13 -2.61 -0.16 0.00 1.34 0.00 0.00 72.50 70.94 1rmj s THR -13 CO 0.19 0.00 0.81 0.71 -0.54 0.00 0.00 174.62 175.79 1rmj h THR -12 N -1.03 0.93 -0.25 3.99 1.35 -2.06 -3.14 112.91 112.69 1rmj h THR -12 Ca -0.38 -1.28 -0.13 0.00 -0.55 0.00 0.00 66.41 64.07 1rmj h THR -12 Cb 1.24 1.60 -0.08 0.00 -1.73 0.00 0.00 68.15 69.19 1rmj h THR -12 CO 0.35 0.26 0.17 -0.62 -0.25 0.00 0.00 175.52 175.43 1rmj n GLU -11 N -4.87 1.32 0.26 4.72 1.02 -1.26 -4.38 120.64 117.45 1rmj n GLU -11 Ca -0.07 -0.77 0.16 0.00 -0.02 0.00 0.00 57.16 56.46 1rmj n GLU -11 Cb 0.27 -1.30 0.89 0.00 -0.02 0.00 0.00 31.44 31.29 1rmj n GLU -11 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1rmj h ASN -10 N 0.33 0.00 -0.46 1.62 -0.73 -1.92 0.13 115.58 114.54 1rmj h ASN -10 Ca 0.16 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.21 1rmj h ASN -10 Cb 1.44 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.01 1rmj h ASN -10 CO 0.29 0.00 -0.17 0.25 -0.37 0.00 0.00 177.43 177.43 1rmj h LEU -9 N 0.00 0.95 -0.65 0.34 5.85 -1.87 -1.06 115.31 118.87 1rmj h LEU -9 Ca 0.04 -0.38 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 1rmj h LEU -9 Cb 0.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1rmj h LEU -9 CO -0.00 1.12 -0.45 1.88 -0.34 0.00 0.00 178.44 180.65 1rmj h TYR -8 N 0.78 0.00 0.00 1.25 -1.99 -1.21 -2.64 116.97 113.16 1rmj h TYR -8 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1rmj h TYR -8 Cb 0.74 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.47 1rmj h TYR -8 CO 0.05 0.45 0.00 0.74 -0.00 0.00 0.00 178.16 179.41 1rmj h PHE -7 N 0.00 0.00 0.00 4.88 -1.00 -0.42 -3.33 116.94 117.07 1rmj h PHE -7 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 1rmj h PHE -7 Cb 1.08 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 1rmj h PHE -7 CO 0.00 0.00 0.39 1.04 -1.61 0.00 0.00 178.31 178.13 1rmj n GLN -6 N -2.98 1.60 0.01 1.51 6.02 -0.44 -4.11 117.38 118.99 1rmj n GLN -6 Ca 0.02 -0.87 -0.06 0.00 -0.01 0.00 0.00 57.00 56.09 1rmj n GLN -6 Cb 0.37 -1.97 -0.11 0.00 1.02 0.00 0.00 30.24 29.55 1rmj n GLN -6 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1rmj h GLY -5 N 5.72 0.00 0.00 1.08 0.00 -1.83 -3.46 103.07 104.58 1rmj h GLY -5 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1rmj h GLY -5 CO 0.51 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.05 1rmj n ALA -4 N -2.46 0.00 -1.79 3.60 0.00 -1.26 -4.99 120.51 113.61 1rmj n ALA -4 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1rmj n ALA -4 Cb 0.96 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.47 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 0.09 2.67 -1.31 0.00 -1.94 -1.26 -4.88 119.30 112.67 1rmj s MET -3 Ca 0.00 0.53 -0.10 0.00 -1.71 0.00 0.00 55.69 54.41 1rmj s MET -3 Cb 0.00 -1.99 -0.07 0.00 2.01 0.00 0.00 34.83 34.78 1rmj s MET -3 CO 0.00 -1.18 2.51 0.41 -0.01 0.00 0.00 175.02 176.75 1rmj n GLY -2 N -2.73 3.76 3.71 -0.03 0.00 0.37 -4.66 105.19 105.61 1rmj n GLY -2 Ca 0.07 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 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 4.40 -4.16 -4.85 1.61 7.64 -1.26 -4.66 113.62 112.34 1rmj n SER -1 Ca 0.62 -0.91 -0.22 0.00 1.01 0.00 0.00 58.87 59.37 1rmj n SER -1 Cb 0.23 -1.41 0.04 0.00 -1.01 0.00 0.00 64.21 62.06 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 -1.58 2.29 0.25 0.23 0.00 -1.25 -4.93 105.19 100.20 1rmj n GLY 1 Ca -0.27 -2.26 -0.00 0.00 0.00 0.00 0.00 46.02 43.49 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 0.42 0.12 1.61 0.13 -1.78 -2.90 132.00 129.60 1rmj h PRO 2 Ca -0.30 -0.11 -0.28 0.00 -0.87 0.00 0.00 66.00 64.44 1rmj h PRO 2 Cb 1.24 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rmj h PRO 2 CO 0.45 0.55 -1.31 0.00 -0.23 0.00 0.00 178.00 177.45 1rmj h ARG 4 N 0.07 0.36 -0.24 0.00 1.12 -0.63 0.69 114.38 115.75 1rmj h ARG 4 Ca -0.16 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 58.56 1rmj h ARG 4 Cb 1.98 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.85 1rmj h ARG 4 CO 0.19 0.24 -0.39 0.07 -3.11 0.00 0.00 179.97 176.96 1rmj h ARG 5 N 0.37 0.55 -0.18 0.20 0.11 -1.65 -0.18 114.38 113.60 1rmj h ARG 5 Ca 0.28 -0.27 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1rmj h ARG 5 Cb 0.34 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 1rmj h ARG 5 CO -0.30 0.85 -0.26 1.25 0.10 0.00 0.00 179.97 181.62 1rmj h HIS 6 N 0.46 0.60 0.02 4.08 2.76 -1.26 -2.25 115.15 119.56 1rmj h HIS 6 Ca 0.04 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1rmj h HIS 6 Cb 0.89 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1rmj h HIS 6 CO 0.03 0.89 -0.01 1.25 -1.30 0.00 0.00 177.93 178.80 1rmj h LEU 7 N 0.13 -0.03 -0.41 0.26 5.85 0.38 -2.21 115.31 119.29 1rmj h LEU 7 Ca 0.02 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1rmj h LEU 7 Cb 0.83 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1rmj h LEU 7 CO 0.06 0.36 0.15 -0.78 -0.34 0.00 0.00 178.44 177.89 1rmj h ASP 8 N -0.42 0.16 0.21 1.25 1.82 -1.09 1.46 116.42 119.81 1rmj h ASP 8 Ca -0.00 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1rmj h ASP 8 Cb 0.40 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1rmj h ASP 8 CO 0.01 0.13 -0.10 0.28 -1.61 0.00 0.00 179.24 177.94 1rmj h SER 9 N 0.32 -0.24 -0.17 2.28 0.02 -1.42 0.46 113.55 114.80 1rmj h SER 9 Ca 0.19 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1rmj h SER 9 Cb 0.17 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1rmj h SER 9 CO -0.19 -0.15 -0.06 0.58 -1.14 0.00 0.00 176.83 175.87 1rmj h VAL 10 N -0.30 1.30 -0.47 2.27 2.07 -1.07 -2.26 116.25 117.78 1rmj h VAL 10 Ca -0.03 -1.05 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1rmj h VAL 10 Cb 0.23 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1rmj h VAL 10 CO 0.05 0.31 0.27 0.25 0.02 0.00 0.00 177.57 178.46 1rmj h LEU 11 N 0.03 0.42 -0.40 2.57 5.85 0.21 1.39 115.31 125.38 1rmj h LEU 11 Ca 0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1rmj h LEU 11 Cb 0.51 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1rmj h LEU 11 CO 0.02 0.29 0.15 0.06 -0.34 0.00 0.00 178.44 178.62 1rmj h GLN 12 N 0.53 0.61 -0.00 1.25 3.07 -0.04 -1.76 115.11 118.77 1rmj h GLN 12 Ca 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 58.65 58.78 1rmj h GLN 12 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1rmj h GLN 12 CO -0.10 0.59 -0.12 1.96 0.09 0.00 0.00 178.83 181.24 1rmj h GLN 13 N 0.51 0.08 -0.33 0.06 7.50 -1.05 -3.33 115.11 118.55 1rmj h GLN 13 Ca 0.13 -0.09 0.02 0.00 0.50 0.00 0.00 58.65 59.21 1rmj h GLN 13 Cb 0.21 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.75 1rmj h GLN 13 CO -0.01 0.85 0.22 1.37 -1.50 0.00 0.00 178.83 179.76 1rmj h LEU 14 N -0.64 0.32 -2.07 1.46 8.10 0.18 1.19 115.31 123.85 1rmj h LEU 14 Ca -0.01 -0.01 0.08 0.00 0.11 0.00 0.00 57.88 58.05 1rmj h LEU 14 Cb 0.89 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 41.02 1rmj h LEU 14 CO 0.02 0.23 0.21 0.06 -4.11 0.00 0.00 178.44 174.85 1rmj h GLN 15 N 0.38 0.00 0.00 0.17 3.07 -1.42 1.38 115.11 118.68 1rmj h GLN 15 Ca 0.13 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.61 1rmj h GLN 15 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.57 1rmj h GLN 15 CO -0.03 0.00 -1.99 2.41 0.09 0.00 0.00 178.83 179.31 1rmj n THR 16 N -4.26 0.99 -0.57 1.86 -1.04 -0.73 -4.55 114.28 105.99 1rmj n THR 16 Ca 0.03 -0.43 0.06 0.00 -2.04 0.00 0.00 64.05 61.67 1rmj n THR 16 Cb 0.36 -1.01 0.34 0.00 -1.82 0.00 0.00 70.33 68.20 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 -2.90 4.19 -0.31 -2.82 1.02 0.40 -4.52 120.64 115.71 1rmj n GLU 17 Ca -0.29 -2.66 -0.03 0.00 -0.02 0.00 0.00 57.16 54.17 1rmj n GLU 17 Cb 0.86 -2.11 0.13 0.00 -0.02 0.00 0.00 31.44 30.30 1rmj n GLU 17 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1rmj h VAL 18 N 3.43 1.25 -0.00 2.62 3.04 0.17 -1.86 116.25 124.89 1rmj h VAL 18 Ca 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1rmj h VAL 18 Cb 1.70 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1rmj h VAL 18 CO 0.39 0.27 -0.01 -1.22 -1.01 0.00 0.00 177.57 175.99 1rmj n TYR 19 N -4.35 0.00 0.05 3.17 4.01 -1.26 0.21 117.16 118.99 1rmj n TYR 19 Ca 0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.63 1rmj n TYR 19 Cb 0.08 -0.12 -0.14 0.00 -0.31 0.00 0.00 39.34 38.85 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 0.14 0.30 -0.18 -0.72 -0.00 -1.66 -3.36 114.38 108.92 1rmj h ARG 20 Ca 0.00 -0.52 0.00 0.00 -0.50 0.00 0.00 59.98 58.96 1rmj h ARG 20 Cb 0.15 0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.32 1rmj h ARG 20 CO 0.00 1.19 0.00 0.41 0.00 0.00 0.00 179.97 181.57 1rmj n GLY 21 N 1.82 2.59 0.00 0.04 0.00 -1.10 -4.78 105.19 103.77 1rmj n GLY 21 Ca -0.24 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.09 0.70 0.44 4.61 0.00 0.57 -0.94 120.51 125.98 1rmj n ALA 22 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1rmj n ALA 22 Cb 0.33 -0.66 0.17 0.00 0.00 0.00 0.00 19.45 19.30 1rmj n ALA 22 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1rmj h GLN 23 N 0.00 0.00 0.00 0.00 4.20 -1.82 -1.13 115.11 116.35 1rmj h GLN 23 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1rmj h GLN 23 Cb 0.30 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.95 1rmj h GLN 23 CO 0.00 0.00 -0.24 0.25 -0.67 0.00 0.00 178.83 178.17 1rmj n THR 24 N -2.37 0.00 -2.49 -0.54 -2.24 0.12 -3.55 114.28 103.21 1rmj n THR 24 Ca 0.03 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1rmj n THR 24 Cb 0.47 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 1rmj n THR 24 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1rmj s LEU 25 N -3.53 4.20 -0.24 3.22 0.05 -0.20 -4.31 118.68 117.88 1rmj s LEU 25 Ca 0.08 1.67 -0.22 0.00 0.05 0.00 0.00 54.13 55.70 1rmj s LEU 25 Cb 0.38 -3.55 -0.02 0.00 -2.05 0.00 0.00 46.19 40.96 1rmj s LEU 25 CO -0.11 -0.67 0.70 -0.47 -0.55 0.00 0.00 176.35 175.25 1rmj s TYR 26 N 2.96 3.31 -0.29 3.48 5.04 -1.25 0.13 117.35 130.73 1rmj s TYR 26 Ca 0.53 0.96 -0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1rmj s TYR 26 Cb -0.21 -2.91 0.05 0.00 0.35 0.00 0.00 41.96 39.24 1rmj s TYR 26 CO 0.16 -0.32 -0.03 0.08 -1.34 0.00 0.00 175.55 174.10 1rmj s VAL 27 N 2.49 2.76 0.09 3.14 1.01 0.18 -4.91 120.40 125.16 1rmj s VAL 27 Ca 0.30 -1.44 -0.28 0.00 0.00 0.00 0.00 61.98 60.55 1rmj s VAL 27 Cb -0.16 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1rmj s VAL 27 CO 0.09 -0.08 0.90 -2.16 0.00 0.00 0.00 175.10 173.84 1rmj s PRO 28 N 1.21 4.63 -0.17 2.72 0.04 -1.26 -2.36 135.00 139.81 1rmj s PRO 28 Ca -0.06 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 1rmj s PRO 28 Cb -0.20 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1rmj s PRO 28 CO -0.02 0.23 0.47 1.21 0.04 0.00 0.00 177.00 178.92 1rmj s ASN 29 N 0.01 6.57 -0.02 6.66 2.47 0.24 -4.61 114.94 126.26 1rmj s ASN 29 Ca 0.44 0.68 0.06 0.00 0.42 0.00 0.00 52.86 54.46 1rmj s ASN 29 Cb -0.22 -2.27 -0.01 0.00 -1.45 0.00 0.00 41.25 37.29 1rmj s ASN 29 CO 0.27 -0.08 -0.20 0.00 -3.72 0.00 0.00 177.10 173.37 1rmj s ASP 31 N -0.39 4.33 0.64 0.00 -4.77 -1.12 -4.69 116.67 110.67 1rmj s ASP 31 Ca 0.05 -0.29 0.21 0.00 -3.30 0.00 0.00 52.55 49.22 1rmj s ASP 31 Cb -0.09 -0.10 1.02 0.00 -1.09 0.00 0.00 42.92 42.67 1rmj s ASP 31 CO -0.00 -1.88 1.55 -0.74 0.70 0.00 0.00 175.17 174.80 1rmj h HIS 32 N -0.57 0.00 -0.14 2.11 -0.00 -1.84 0.71 115.15 115.42 1rmj h HIS 32 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1rmj h HIS 32 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1rmj h HIS 32 CO -0.21 0.00 0.00 0.54 -0.00 0.00 0.00 177.93 178.26 1rmj n ARG 33 N -3.02 1.43 -0.72 5.26 5.12 -1.26 0.14 116.66 123.61 1rmj n ARG 33 Ca 0.05 -0.66 0.00 0.00 -1.93 0.00 0.00 57.85 55.31 1rmj n ARG 33 Cb 0.82 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.86 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rmj n GLY 34 N 0.90 0.35 3.91 -0.13 0.00 0.25 -3.89 105.19 106.58 1rmj n GLY 34 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 2.85 -0.98 1.61 0.40 -1.26 0.12 117.98 118.70 1rmj s PHE 35 Ca 0.00 0.60 -0.22 0.00 -0.60 0.00 0.00 56.93 56.72 1rmj s PHE 35 Cb 0.00 -3.41 0.08 0.00 0.51 0.00 0.00 43.02 40.19 1rmj s PHE 35 CO 0.00 -1.69 1.33 0.71 0.70 0.00 0.00 175.22 176.28 1rmj s TYR 36 N -3.47 2.72 -0.03 0.36 2.02 -1.20 -2.80 117.35 114.95 1rmj s TYR 36 Ca 0.62 -1.00 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1rmj s TYR 36 Cb -0.10 -4.56 -0.02 0.00 -0.40 0.00 0.00 41.96 36.88 1rmj s TYR 36 CO 0.48 -1.79 0.23 -0.09 -1.57 0.00 0.00 175.55 172.80 1rmj h ARG 37 N 9.48 -0.11 0.00 -0.62 2.43 -1.57 -3.15 114.38 120.84 1rmj h ARG 37 Ca 0.17 0.01 -0.40 0.00 -0.81 0.00 0.00 59.98 58.95 1rmj h ARG 37 Cb 1.02 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.53 1rmj h ARG 37 CO 1.32 -0.07 -2.37 1.17 -1.51 0.00 0.00 179.97 178.51 1rmj n LYS 38 N -3.36 0.54 -4.49 0.20 4.81 -1.26 -3.28 118.16 111.32 1rmj n LYS 38 Ca -0.01 0.20 -0.30 0.00 -0.87 0.00 0.00 58.31 57.33 1rmj n LYS 38 Cb 0.05 -1.40 -0.12 0.00 0.02 0.00 0.00 35.03 33.57 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 -2.46 1.90 -0.08 1.64 3.52 -1.26 0.91 118.95 123.12 1rmj s ARG 39 Ca -0.34 -1.10 -0.03 0.00 -0.13 0.00 0.00 55.73 54.14 1rmj s ARG 39 Cb 0.12 -2.13 0.04 0.00 -1.56 0.00 0.00 34.95 31.42 1rmj s ARG 39 CO 0.46 0.51 0.13 -0.65 -0.81 0.00 0.00 175.30 174.94 1rmj s GLN 40 N -1.78 0.01 -0.06 5.12 -0.21 -0.06 0.83 119.66 123.51 1rmj s GLN 40 Ca 0.16 0.47 -0.06 0.00 0.02 0.00 0.00 55.36 55.95 1rmj s GLN 40 Cb -0.10 -0.45 0.02 0.00 1.00 0.00 0.00 33.01 33.47 1rmj s GLN 40 CO 0.07 -0.34 0.16 0.00 -2.12 0.00 0.00 175.29 173.06 1rmj s ARG 42 N 0.09 4.16 -0.06 0.00 1.81 0.19 0.51 118.95 125.65 1rmj s ARG 42 Ca -0.00 0.20 -0.02 0.00 -1.72 0.00 0.00 55.73 54.19 1rmj s ARG 42 Cb -0.01 -3.55 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 1rmj s ARG 42 CO 0.00 -0.07 0.05 -1.12 -0.68 0.00 0.00 175.30 173.49 1rmj s SER 43 N 1.10 5.57 0.07 0.23 0.01 0.34 -2.92 113.70 118.09 1rmj s SER 43 Ca 0.19 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.68 1rmj s SER 43 Cb -0.15 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 1rmj s SER 43 CO 0.08 0.34 -0.12 -0.94 0.41 0.00 0.00 173.24 173.01 1rmj s SER 44 N -1.25 1.44 0.41 2.44 1.04 -1.20 0.14 113.70 116.71 1rmj s SER 44 Ca 0.17 -0.62 0.07 0.00 0.48 0.00 0.00 55.95 56.06 1rmj s SER 44 Cb -0.12 -0.02 0.85 0.00 0.10 0.00 0.00 66.02 66.84 1rmj s SER 44 CO 0.07 -0.13 2.04 1.56 0.98 0.00 0.00 173.24 177.76 1rmj h GLN 45 N 4.26 0.56 0.00 4.02 4.20 -1.44 -3.44 115.11 123.27 1rmj h GLN 45 Ca -0.39 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1rmj h GLN 45 Cb 1.19 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1rmj h GLN 45 CO 0.42 0.37 0.00 0.41 -0.67 0.00 0.00 178.83 179.36 1rmj n GLY 46 N -1.48 5.32 0.87 3.46 0.00 -1.26 -5.04 105.19 107.07 1rmj n GLY 46 Ca 0.05 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.04 1rmj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rmj n GLN 47 N 0.00 2.15 0.00 1.61 10.64 -1.26 -4.13 117.38 126.39 1rmj n GLN 47 Ca 0.00 -1.73 0.10 0.00 -1.83 0.00 0.00 57.00 53.55 1rmj n GLN 47 Cb 0.00 -1.46 0.45 0.00 -0.86 0.00 0.00 30.24 28.37 1rmj n GLN 47 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1rmj n ARG 48 N 0.97 0.01 0.00 2.61 0.63 -1.26 -4.82 116.66 114.80 1rmj n ARG 48 Ca 0.17 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1rmj n ARG 48 Cb 0.49 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.89 1rmj n ARG 48 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1rmj n ARG 49 N -1.52 1.34 0.00 -0.14 5.12 -1.26 -5.10 116.66 115.10 1rmj n ARG 49 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1rmj n ARG 49 Cb 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.55 1rmj n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rmj n GLY 50 N 2.33 1.04 3.71 -0.13 0.00 -1.23 -4.82 105.19 106.09 1rmj n GLY 50 Ca 0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 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 2.46 0.04 1.61 0.04 -1.15 -4.52 135.00 133.48 1rmj s PRO 51 Ca 0.00 -1.37 -0.16 0.00 0.04 0.00 0.00 61.00 59.51 1rmj s PRO 51 Cb 0.00 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1rmj s PRO 51 CO 0.00 0.31 0.48 0.00 0.04 0.00 0.00 177.00 177.83 1rmj s TRP 53 N -1.12 0.05 0.56 0.00 -2.14 0.10 -4.57 118.94 111.83 1rmj s TRP 53 Ca 0.27 -0.28 -0.08 0.00 2.66 0.00 0.00 56.10 58.67 1rmj s TRP 53 Cb -0.18 -0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 30.15 1rmj s TRP 53 CO 0.16 -0.45 0.91 0.00 -2.66 0.00 0.00 176.95 174.91 1rmj s VAL 55 N -2.98 0.03 0.67 0.00 -7.23 0.26 0.15 120.40 111.31 1rmj s VAL 55 Ca 0.52 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1rmj s VAL 55 Cb -0.11 -2.10 0.11 0.00 0.56 0.00 0.00 36.38 34.85 1rmj s VAL 55 CO 0.48 -0.16 0.92 1.51 -0.31 0.00 0.00 175.10 177.55 1rmj s ASP 56 N -3.03 4.61 0.50 4.85 -4.77 -0.91 -4.04 116.67 113.88 1rmj s ASP 56 Ca 0.24 -0.55 0.30 0.00 -3.30 0.00 0.00 52.55 49.25 1rmj s ASP 56 Cb 0.03 0.11 1.41 0.00 -1.09 0.00 0.00 42.92 43.38 1rmj s ASP 56 CO 0.05 -1.68 1.82 0.08 0.70 0.00 0.00 175.17 176.14 1rmj h ARG 57 N -0.27 0.10 0.00 2.11 0.11 -1.65 0.48 114.38 115.25 1rmj h ARG 57 Ca -0.34 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.72 1rmj h ARG 57 Cb 1.27 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 1rmj h ARG 57 CO 0.40 0.07 -0.08 1.98 0.10 0.00 0.00 179.97 182.44 1rmj h MET 58 N 0.11 0.00 0.00 0.08 -1.53 -1.89 -3.17 114.93 108.53 1rmj h MET 58 Ca 0.53 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.79 1rmj h MET 58 Cb 1.91 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.96 1rmj h MET 58 CO -0.08 0.08 0.00 0.41 0.14 0.00 0.00 176.91 177.46 1rmj n GLY 59 N 0.72 1.08 3.77 1.39 0.00 0.17 -4.60 105.19 107.72 1rmj n GLY 59 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.40 4.70 -0.08 1.61 2.20 -1.26 -4.75 119.74 121.76 1rmj s LYS 60 Ca 0.00 1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 1rmj s LYS 60 Cb 0.00 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 1rmj s LYS 60 CO 0.00 0.38 1.60 -1.12 -0.36 0.00 0.00 175.35 175.86 1rmj s SER 61 N -1.42 6.68 0.86 1.43 0.01 -1.26 -2.15 113.70 117.85 1rmj s SER 61 Ca 0.46 2.13 -0.09 0.00 1.31 0.00 0.00 55.95 59.76 1rmj s SER 61 Cb -0.22 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.65 1rmj s SER 61 CO 0.27 -0.93 1.18 -0.76 0.41 0.00 0.00 173.24 173.41 1rmj s LEU 62 N 4.06 2.84 0.17 2.44 1.43 0.40 -4.93 118.68 125.10 1rmj s LEU 62 Ca 0.71 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.62 1rmj s LEU 62 Cb -0.31 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 43.91 1rmj s LEU 62 CO 0.28 -2.38 1.57 1.55 0.23 0.00 0.00 176.35 177.60 1rmj h PRO 63 N -1.14 0.98 0.00 1.29 0.13 -1.95 -3.40 132.00 127.91 1rmj h PRO 63 Ca -0.40 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1rmj h PRO 63 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rmj h PRO 63 CO 0.37 1.08 0.00 0.41 -0.23 0.00 0.00 178.00 179.63 1rmj n GLY 64 N -0.17 -1.89 3.81 1.56 0.00 -1.26 -4.83 105.19 102.41 1rmj n GLY 64 Ca 0.00 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 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 6.89 0.43 1.61 0.01 -1.26 -4.88 113.70 112.50 1rmj s SER 65 Ca 0.00 1.05 0.29 0.00 1.31 0.00 0.00 55.95 58.61 1rmj s SER 65 Cb 0.00 -2.29 1.14 0.00 0.21 0.00 0.00 66.02 65.08 1rmj s SER 65 CO 0.00 0.27 1.86 1.55 0.41 0.00 0.00 173.24 177.33 1rmj h PRO 66 N 4.88 0.00 0.00 12.44 0.13 -1.88 -2.74 132.00 144.82 1rmj h PRO 66 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1rmj n ASP 67 N -2.78 0.59 0.00 1.44 5.68 -1.26 -4.89 116.55 115.32 1rmj n ASP 67 Ca 0.02 0.65 0.00 0.00 -0.50 0.00 0.00 54.79 54.95 1rmj n ASP 67 Cb 0.31 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 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 -0.05 3.23 3.80 6.12 0.00 -1.03 -5.07 105.19 112.19 1rmj n GLY 68 Ca 0.02 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 7.19 0.00 1.61 3.84 -1.26 -4.86 114.94 121.46 1rmj s ASN 69 Ca 0.00 1.46 0.26 0.00 0.21 0.00 0.00 52.86 54.78 1rmj s ASN 69 Cb 0.00 -2.43 1.12 0.00 -0.55 0.00 0.00 41.25 39.39 1rmj s ASN 69 CO 0.00 0.18 1.83 0.61 -2.79 0.00 0.00 177.10 176.94 1rmj n GLY 70 N 1.40 -1.35 0.25 1.21 0.00 -1.26 -3.88 105.19 101.54 1rmj n GLY 70 Ca -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 0.23 -0.88 1.61 0.02 -1.93 1.35 113.55 113.94 1rmj h SER 71 Ca 0.00 0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 1rmj h SER 71 Cb 0.42 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 1rmj h SER 71 CO 0.00 0.12 0.57 0.28 -1.14 0.00 0.00 176.83 176.66 1rmj h SER 72 N 0.41 0.77 0.01 3.07 0.02 -1.99 -3.16 113.55 112.68 1rmj h SER 72 Ca 0.34 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 61.02 1rmj h SER 72 Cb 0.46 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1rmj h SER 72 CO -0.34 0.45 -1.59 -1.20 -1.14 0.00 0.00 176.83 173.00 1rmj n SER 73 N -4.53 1.90 -3.68 3.07 7.64 -0.24 -4.98 113.62 112.81 1rmj n SER 73 Ca 0.15 0.38 -0.09 0.00 1.01 0.00 0.00 58.87 60.32 1rmj n SER 73 Cb 0.33 -0.92 -0.10 0.00 -1.01 0.00 0.00 64.21 62.51 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 4.34 0.00 -3.15 0.00 -0.04 -1.26 -3.78 135.00 131.11 1rmj n PRO 75 Ca -0.22 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.03 1rmj n PRO 75 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 1rmj n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1rmj n THR 76 N 0.00 0.45 -1.12 0.52 -1.04 -1.26 -4.64 114.28 107.19 1rmj n THR 76 Ca 0.00 -4.71 -0.35 0.00 -2.04 0.00 0.00 64.05 56.95 1rmj n THR 76 Cb 0.00 -0.79 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 1rmj n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rmj n GLY 77 N 0.37 3.25 3.49 3.41 0.00 -1.26 -4.87 105.19 109.59 1rmj n GLY 77 Ca 0.26 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 3.84 4.90 -0.18 1.61 0.01 -1.26 -4.56 113.70 118.06 1rmj s SER 78 Ca 0.51 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.66 1rmj s SER 78 Cb 0.13 -1.82 0.33 0.00 0.21 0.00 0.00 66.02 64.88 1rmj s SER 78 CO 0.01 0.12 1.32 -1.20 0.41 0.00 0.00 173.24 173.90 1rmj n SER 79 N 3.85 3.31 0.00 2.44 7.64 -1.26 -4.78 113.62 124.82 1rmj n SER 79 Ca -0.17 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1rmj n SER 79 Cb 0.52 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64