#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 -3.83 7.33 4.19 -1.26 -4.98 117.16 118.61 1rmj n TYR -26 Ca 0.00 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.93 1rmj n TYR -26 Cb 0.00 0.00 -0.16 0.00 0.49 0.00 0.00 39.34 39.67 1rmj n TYR -26 CO 0.00 0.00 0.00 1.52 0.91 0.00 0.00 176.86 179.29 1rmj s TYR -25 N 0.00 1.46 0.18 2.98 -0.85 -1.26 -4.65 117.35 115.20 1rmj s TYR -25 Ca 0.00 -1.02 -0.14 0.00 -0.52 0.00 0.00 57.07 55.39 1rmj s TYR -25 Cb 0.00 -1.20 0.10 0.00 0.38 0.00 0.00 41.96 41.24 1rmj s TYR -25 CO 0.00 -0.61 1.81 0.45 -1.52 0.00 0.00 175.55 175.68 1rmj h HIS -24 N 8.16 0.57 0.00 -3.49 3.86 -1.96 -3.41 115.15 118.89 1rmj h HIS -24 Ca -0.20 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1rmj h HIS -24 Cb 1.11 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1rmj h HIS -24 CO 0.40 0.33 0.00 0.72 0.86 0.00 0.00 177.93 180.23 1rmj n HIS -23 N -4.80 -0.64 -3.46 2.45 8.25 -1.26 -5.07 115.22 110.68 1rmj n HIS -23 Ca 0.04 0.11 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1rmj n HIS -23 Cb 0.08 0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 1rmj n HIS -23 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1rmj s HIS -22 N -1.73 -1.22 -0.24 4.41 2.46 -1.26 -5.13 115.29 112.57 1rmj s HIS -22 Ca 0.00 1.76 -0.02 0.00 0.47 0.00 0.00 55.06 57.26 1rmj s HIS -22 Cb 0.00 0.51 0.12 0.00 -0.13 0.00 0.00 32.58 33.08 1rmj s HIS -22 CO 0.00 -0.70 0.28 -1.01 -2.47 0.00 0.00 174.74 170.84 1rmj s HIS -21 N 2.77 -0.45 0.00 3.88 3.76 -1.26 -5.03 115.29 118.96 1rmj s HIS -21 Ca 0.05 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1rmj s HIS -21 Cb -0.13 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.22 1rmj s HIS -21 CO -0.18 -0.75 0.00 1.58 -0.85 0.00 0.00 174.74 174.54 1rmj n HIS -20 N 5.32 0.00 -3.60 1.40 -0.00 -1.26 -4.67 115.22 112.41 1rmj n HIS -20 Ca -0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.41 1rmj n HIS -20 Cb 0.48 0.01 -0.00 0.00 -0.00 0.00 0.00 29.99 30.49 1rmj n HIS -20 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1rmj n HIS -19 N 14.00 -1.89 0.23 1.57 -0.00 -1.26 -4.78 115.22 123.09 1rmj n HIS -19 Ca 0.00 0.61 0.18 0.00 -0.00 0.00 0.00 57.72 58.51 1rmj n HIS -19 Cb 0.00 -3.21 0.86 0.00 -0.00 0.00 0.00 29.99 27.64 1rmj n HIS -19 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 1rmj h ASP -18 N -1.29 0.00 -0.36 0.41 3.58 -2.04 0.11 116.42 116.83 1rmj h ASP -18 Ca -0.49 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 56.80 1rmj h ASP -18 Cb 1.32 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.28 1rmj h ASP -18 CO 0.60 0.00 -0.03 0.00 -2.88 0.00 0.00 179.24 176.93 1rmj n TYR -17 N -3.59 1.14 -3.89 0.28 0.18 -1.26 -4.87 117.16 105.15 1rmj n TYR -17 Ca 0.01 -1.47 -0.32 0.00 1.88 0.00 0.00 57.90 58.00 1rmj n TYR -17 Cb 0.33 -0.48 -0.13 0.00 -0.38 0.00 0.00 39.34 38.69 1rmj n TYR -17 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1rmj s ASP -16 N -2.37 4.74 -0.24 9.48 2.15 0.38 -4.65 116.67 126.16 1rmj s ASP -16 Ca 0.45 -2.69 -0.25 0.00 0.43 0.00 0.00 52.55 50.49 1rmj s ASP -16 Cb 0.40 -1.71 -0.01 0.00 -0.30 0.00 0.00 42.92 41.30 1rmj s ASP -16 CO 0.02 -0.33 0.83 -0.63 -0.17 0.00 0.00 175.17 174.89 1rmj s ILE -15 N 0.17 4.84 -0.61 4.11 -1.09 -1.26 -4.91 121.20 122.45 1rmj s ILE -15 Ca 0.15 1.57 -0.12 0.00 -2.23 0.00 0.00 60.65 60.02 1rmj s ILE -15 Cb -0.23 -4.12 -0.10 0.00 -1.58 0.00 0.00 42.46 36.43 1rmj s ILE -15 CO -0.03 -0.07 1.79 -0.81 -1.23 0.00 0.00 174.94 174.59 1rmj n PRO -14 N 5.96 1.31 -3.65 2.79 -0.04 -1.26 -4.74 135.00 135.37 1rmj n PRO -14 Ca 0.05 -1.33 -0.21 0.00 -0.04 0.00 0.00 63.50 61.97 1rmj n PRO -14 Cb 0.48 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.27 1rmj n PRO -14 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rmj s THR -13 N 4.51 -0.13 -0.07 0.52 -4.23 -1.26 -5.00 115.64 109.97 1rmj s THR -13 Ca 0.39 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1rmj s THR -13 Cb 0.10 -0.31 -0.29 0.00 1.34 0.00 0.00 72.50 73.34 1rmj s THR -13 CO 0.05 0.03 0.56 0.71 -0.54 0.00 0.00 174.62 175.43 1rmj h THR -12 N 6.42 0.82 0.00 3.99 1.35 -2.01 -3.31 112.91 120.18 1rmj h THR -12 Ca -0.13 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 1rmj h THR -12 Cb 1.13 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1rmj h THR -12 CO 0.19 0.87 0.00 -1.84 -0.25 0.00 0.00 175.52 174.49 1rmj n GLU -11 N -3.53 0.01 0.29 4.72 0.00 -1.26 -2.52 120.64 118.36 1rmj n GLU -11 Ca -0.27 0.44 0.20 0.00 0.00 0.00 0.00 57.16 57.53 1rmj n GLU -11 Cb 1.06 -1.53 1.06 0.00 0.00 0.00 0.00 31.44 32.04 1rmj n GLU -11 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.13 174.18 1rmj h ASN -10 N 0.00 0.00 0.02 -1.84 -1.07 -1.99 0.25 115.58 110.96 1rmj h ASN -10 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 1rmj h ASN -10 Cb 0.08 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.28 1rmj h ASN -10 CO 0.00 0.00 -1.81 -0.11 0.07 0.00 0.00 177.43 175.58 1rmj n LEU -9 N -2.88 2.09 0.00 6.14 0.00 -1.05 -4.18 117.00 117.13 1rmj n LEU -9 Ca -0.03 0.33 0.12 0.00 0.00 0.00 0.00 56.01 56.43 1rmj n LEU -9 Cb 0.07 -0.95 0.71 0.00 0.00 0.00 0.00 43.42 43.25 1rmj n LEU -9 CO 0.18 0.50 0.93 -1.22 0.00 0.00 0.00 177.39 177.78 1rmj n TYR -8 N -4.15 0.00 0.33 1.96 4.01 -0.92 -3.31 117.16 115.07 1rmj n TYR -8 Ca -0.39 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.47 1rmj n TYR -8 Cb 0.82 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 40.09 1rmj n TYR -8 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1rmj h PHE -7 N 0.00 0.00 -0.70 -0.72 3.04 -0.68 -3.33 116.94 114.55 1rmj h PHE -7 Ca 0.00 0.00 -0.47 0.00 3.98 0.00 0.00 57.97 61.48 1rmj h PHE -7 Cb 0.00 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 38.39 1rmj h PHE -7 CO 0.00 0.00 0.85 1.04 -2.02 0.00 0.00 178.31 178.18 1rmj n GLN -6 N -2.88 2.80 -0.23 1.11 6.02 -1.21 -4.61 117.38 118.38 1rmj n GLN -6 Ca 0.04 -2.17 -0.06 0.00 -0.01 0.00 0.00 57.00 54.81 1rmj n GLN -6 Cb 0.50 -2.25 0.04 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 4.79 0.95 -6.33 1.08 0.00 -1.88 -3.24 103.07 98.45 1rmj h GLY -5 Ca 0.44 -0.41 -0.67 0.00 0.00 0.00 0.00 47.33 46.68 1rmj h GLY -5 CO 0.89 0.40 2.65 0.00 0.00 0.00 0.00 176.54 180.48 1rmj n ALA -4 N -2.32 4.31 -2.80 3.60 0.00 -1.26 -4.92 120.51 117.12 1rmj n ALA -4 Ca 0.05 -3.59 -0.22 0.00 0.00 0.00 0.00 53.44 49.69 1rmj n ALA -4 Cb 0.07 -3.59 -0.01 0.00 0.00 0.00 0.00 19.45 15.92 1rmj n ALA -4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rmj s MET -3 N 4.19 3.41 -0.99 0.00 0.00 -1.22 -4.90 119.30 119.79 1rmj s MET -3 Ca 0.53 -0.63 -0.06 0.00 0.00 0.00 0.00 55.69 55.53 1rmj s MET -3 Cb 0.13 -2.80 -0.06 0.00 0.00 0.00 0.00 34.83 32.11 1rmj s MET -3 CO 0.02 0.28 2.23 0.41 0.00 0.00 0.00 175.02 177.96 1rmj n GLY -2 N -1.58 3.25 3.30 3.16 0.00 0.30 -4.64 105.19 108.97 1rmj n GLY -2 Ca -0.06 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 4.09 0.28 -3.00 1.61 7.64 -1.26 -4.60 113.62 118.38 1rmj n SER -1 Ca 0.49 -0.60 -0.14 0.00 1.01 0.00 0.00 58.87 59.62 1rmj n SER -1 Cb 0.15 -0.75 0.12 0.00 -1.01 0.00 0.00 64.21 62.72 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 -1.62 -2.46 0.11 0.23 0.00 -1.15 -4.74 105.19 95.56 1rmj n GLY 1 Ca -0.13 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.19 -0.75 1.61 0.13 -1.77 -2.58 132.00 128.45 1rmj h PRO 2 Ca -0.20 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1rmj h PRO 2 Cb 0.61 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.74 1rmj h PRO 2 CO 0.13 -0.08 0.50 0.00 -0.23 0.00 0.00 178.00 178.32 1rmj h ARG 4 N 0.99 0.30 -0.34 0.00 1.12 -0.77 0.94 114.38 116.63 1rmj h ARG 4 Ca 0.28 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 59.05 1rmj h ARG 4 Cb -0.08 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.81 1rmj h ARG 4 CO -0.07 0.20 -0.13 0.00 -3.11 0.00 0.00 179.97 176.86 1rmj h ARG 5 N 0.30 0.68 -0.68 0.20 3.08 -1.01 0.71 114.38 117.67 1rmj h ARG 5 Ca 0.23 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1rmj h ARG 5 Cb 0.27 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1rmj h ARG 5 CO -0.26 0.87 0.45 1.25 -1.07 0.00 0.00 179.97 181.20 1rmj h HIS 6 N 0.46 0.84 -0.03 3.04 2.76 -0.29 -0.03 115.15 121.91 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 0.65 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1rmj h HIS 6 CO 0.06 0.52 0.00 1.25 -1.30 0.00 0.00 177.93 178.46 1rmj h LEU 7 N 0.90 0.05 -0.68 0.26 6.46 0.11 0.10 115.31 122.51 1rmj h LEU 7 Ca 0.26 -0.26 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1rmj h LEU 7 Cb -0.08 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.77 1rmj h LEU 7 CO -0.07 0.30 0.33 -0.78 -0.62 0.00 0.00 178.44 177.61 1rmj h ASP 8 N -0.21 0.44 0.19 1.25 1.82 -0.53 0.57 116.42 119.95 1rmj h ASP 8 Ca 0.01 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1rmj h ASP 8 Cb 0.27 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.26 1rmj h ASP 8 CO 0.00 0.26 -0.09 0.28 -1.61 0.00 0.00 179.24 178.08 1rmj h SER 9 N 0.58 -0.22 -0.49 2.28 0.02 -0.88 -1.52 113.55 113.33 1rmj h SER 9 Ca 0.33 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1rmj h SER 9 Cb 0.33 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1rmj h SER 9 CO -0.25 0.20 0.31 0.58 -1.14 0.00 0.00 176.83 176.53 1rmj h VAL 10 N -0.69 1.14 -0.00 2.27 2.07 -0.47 0.62 116.25 121.19 1rmj h VAL 10 Ca -0.03 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1rmj h VAL 10 Cb 0.48 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1rmj h VAL 10 CO 0.04 0.14 -0.07 -0.07 0.02 0.00 0.00 177.57 177.63 1rmj h LEU 11 N 0.66 -0.20 -0.24 2.57 -0.00 0.10 0.89 115.31 119.10 1rmj h LEU 11 Ca 0.18 0.03 -0.08 0.00 -0.00 0.00 0.00 57.88 58.01 1rmj h LEU 11 Cb -0.05 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1rmj h LEU 11 CO -0.04 -0.10 -0.17 1.56 -0.00 0.00 0.00 178.44 179.69 1rmj h GLN 12 N -0.12 0.53 -0.04 1.13 4.20 -1.00 -3.28 115.11 116.54 1rmj h GLN 12 Ca 0.03 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.32 1rmj h GLN 12 Cb 0.16 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1rmj h GLN 12 CO -0.07 0.83 -0.70 1.96 -0.67 0.00 0.00 178.83 180.18 1rmj h GLN 13 N 0.24 0.21 -1.01 1.46 4.20 0.42 -3.36 115.11 117.27 1rmj h GLN 13 Ca 0.05 -0.17 0.23 0.00 0.06 0.00 0.00 58.65 58.82 1rmj h GLN 13 Cb 0.70 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.41 1rmj h GLN 13 CO 0.05 0.82 0.63 1.37 -0.67 0.00 0.00 178.83 181.02 1rmj h LEU 14 N 0.14 0.61 -0.15 1.46 8.10 0.75 2.33 115.31 128.56 1rmj h LEU 14 Ca -0.02 0.10 -0.07 0.00 0.11 0.00 0.00 57.88 58.00 1rmj h LEU 14 Cb 1.24 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.45 1rmj h LEU 14 CO 0.11 0.15 -0.33 1.56 -4.11 0.00 0.00 178.44 175.81 1rmj h GLN 15 N 0.56 0.00 0.04 0.17 4.20 -1.76 -3.09 115.11 115.22 1rmj h GLN 15 Ca 0.60 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.92 1rmj h GLN 15 Cb 1.22 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 1rmj h GLN 15 CO -0.37 0.33 -2.33 2.41 -0.67 0.00 0.00 178.83 178.20 1rmj n THR 16 N -3.21 1.57 -2.29 -0.54 -1.04 -0.48 -4.34 114.28 103.96 1rmj n THR 16 Ca 0.02 -0.58 -0.41 0.00 -2.04 0.00 0.00 64.05 61.04 1rmj n THR 16 Cb 0.64 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1rmj n THR 16 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rmj n GLU 17 N -3.37 4.59 0.07 -2.82 -0.58 0.77 -4.78 120.64 114.53 1rmj n GLU 17 Ca -0.42 -3.83 0.19 0.00 -0.42 0.00 0.00 57.16 52.68 1rmj n GLU 17 Cb 1.00 -2.64 0.56 0.00 -0.57 0.00 0.00 31.44 29.79 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 2.81 0.13 0.00 2.62 2.07 -1.72 0.71 116.25 122.87 1rmj h VAL 18 Ca 0.56 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.08 1rmj h VAL 18 Cb 0.40 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1rmj h VAL 18 CO 1.43 0.00 0.00 0.00 0.02 0.00 0.00 177.57 179.02 1rmj n TYR 19 N -3.24 0.00 -0.35 1.57 0.18 -1.26 -1.79 117.16 112.27 1rmj n TYR 19 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 1rmj n TYR 19 Cb 0.91 -0.19 0.16 0.00 -0.38 0.00 0.00 39.34 39.84 1rmj n TYR 19 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 1rmj h ARG 20 N 0.00 1.20 0.00 -3.48 1.12 0.18 -0.47 114.38 112.94 1rmj h ARG 20 Ca 0.00 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 58.72 1rmj h ARG 20 Cb 0.07 -0.27 -0.01 0.00 -0.01 0.00 0.00 29.97 29.75 1rmj h ARG 20 CO 0.00 0.80 -1.45 0.41 -3.11 0.00 0.00 179.97 176.62 1rmj n GLY 21 N -1.38 -0.37 0.15 2.80 0.00 -1.04 -3.03 105.19 102.32 1rmj n GLY 21 Ca 0.12 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.52 0.72 0.00 4.61 0.00 -1.33 -3.33 119.26 120.45 1rmj h ALA 22 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1rmj h ALA 22 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1rmj h ALA 22 CO 0.01 0.49 -0.12 1.04 0.00 0.00 0.00 179.25 180.66 1rmj n GLN 23 N -3.09 0.06 -1.44 0.00 1.13 -0.19 -2.92 117.38 110.94 1rmj n GLN 23 Ca 0.00 0.03 -0.02 0.00 -1.94 0.00 0.00 57.00 55.06 1rmj n GLN 23 Cb 0.69 -0.41 0.02 0.00 0.11 0.00 0.00 30.24 30.65 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 -2.90 0.00 -2.84 5.09 -2.24 0.20 -2.62 114.28 108.96 1rmj n THR 24 Ca -0.02 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.23 1rmj n THR 24 Cb 0.06 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.08 3.75 -0.09 3.22 1.43 -0.58 -4.55 118.68 120.78 1rmj s LEU 25 Ca 0.02 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1rmj s LEU 25 Cb 0.12 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1rmj s LEU 25 CO -0.03 -0.48 -0.03 -0.47 0.23 0.00 0.00 176.35 175.57 1rmj s TYR 26 N -2.57 3.06 -0.23 0.29 5.04 -1.26 0.21 117.35 121.88 1rmj s TYR 26 Ca 0.46 0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 55.13 1rmj s TYR 26 Cb -0.10 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.44 1rmj s TYR 26 CO 0.41 0.34 -0.08 0.08 -1.34 0.00 0.00 175.55 174.95 1rmj s VAL 27 N -0.65 2.81 0.11 3.14 1.01 0.26 -4.95 120.40 122.13 1rmj s VAL 27 Ca 0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1rmj s VAL 27 Cb -0.12 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1rmj s VAL 27 CO 0.02 0.29 0.29 -2.16 0.00 0.00 0.00 175.10 173.54 1rmj s PRO 28 N 1.34 3.51 -0.06 2.72 0.04 -1.26 -2.35 135.00 138.94 1rmj s PRO 28 Ca 0.02 -0.31 0.02 0.00 0.04 0.00 0.00 61.00 60.77 1rmj s PRO 28 Cb -0.16 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1rmj s PRO 28 CO -0.06 0.53 -0.12 0.54 0.04 0.00 0.00 177.00 177.93 1rmj s ASN 29 N -2.60 4.23 0.06 6.66 2.20 -1.26 -4.70 114.94 119.52 1rmj s ASN 29 Ca 0.38 -0.15 0.09 0.00 -0.94 0.00 0.00 52.86 52.24 1rmj s ASN 29 Cb -0.12 -1.01 -0.03 0.00 -2.00 0.00 0.00 41.25 38.09 1rmj s ASN 29 CO 0.27 0.34 -0.25 0.00 -2.94 0.00 0.00 177.10 174.51 1rmj s ASP 31 N -1.33 2.37 0.65 0.00 -1.08 0.16 -4.73 116.67 112.70 1rmj s ASP 31 Ca 0.11 0.67 0.31 0.00 -0.52 0.00 0.00 52.55 53.13 1rmj s ASP 31 Cb -0.10 -1.00 1.69 0.00 -1.46 0.00 0.00 42.92 42.05 1rmj s ASP 31 CO 0.02 -3.23 1.98 1.12 0.52 0.00 0.00 175.17 175.58 1rmj h HIS 32 N -1.97 0.00 -0.39 -5.34 2.07 -1.89 0.84 115.15 108.47 1rmj h HIS 32 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 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 -0.99 0.00 0.00 2.89 -3.07 0.00 0.00 177.93 176.76 1rmj n ARG 33 N -3.15 2.26 -0.80 5.12 0.00 -1.26 0.11 116.66 118.94 1rmj n ARG 33 Ca -0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 57.85 56.30 1rmj n ARG 33 Cb 0.39 -1.47 0.00 0.00 -0.00 0.00 0.00 32.46 31.38 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 0.95 0.34 3.89 2.89 0.00 0.29 -2.95 105.19 110.61 1rmj n GLY 34 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.97 3.47 -0.45 1.61 0.40 -1.26 0.31 117.98 120.10 1rmj s PHE 35 Ca 0.00 1.02 -0.28 0.00 -0.60 0.00 0.00 56.93 57.07 1rmj s PHE 35 Cb 0.00 -2.73 -0.02 0.00 0.51 0.00 0.00 43.02 40.78 1rmj s PHE 35 CO 0.00 -0.76 1.82 0.71 0.70 0.00 0.00 175.22 177.69 1rmj s TYR 36 N -3.11 1.77 -0.05 0.36 2.02 -1.05 0.40 117.35 117.68 1rmj s TYR 36 Ca 0.54 0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 57.95 1rmj s TYR 36 Cb -0.11 -4.11 -0.01 0.00 -0.40 0.00 0.00 41.96 37.34 1rmj s TYR 36 CO 0.50 -2.62 0.10 -0.09 -1.57 0.00 0.00 175.55 171.87 1rmj h ARG 37 N 13.76 -0.06 0.00 -0.62 2.43 -1.71 -3.29 114.38 124.90 1rmj h ARG 37 Ca -0.30 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.42 1rmj h ARG 37 Cb 1.17 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 1rmj h ARG 37 CO 1.11 -0.04 -2.51 1.17 -1.51 0.00 0.00 179.97 178.19 1rmj n LYS 38 N -3.61 0.59 -4.63 0.20 4.81 -1.26 -4.10 118.16 110.16 1rmj n LYS 38 Ca -0.01 0.26 -0.31 0.00 -0.87 0.00 0.00 58.31 57.38 1rmj n LYS 38 Cb 0.02 -1.49 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 1rmj n LYS 38 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1rmj s ARG 39 N -2.52 2.13 -0.07 1.64 3.52 -1.26 0.49 118.95 122.88 1rmj s ARG 39 Ca -0.39 -2.26 -0.03 0.00 -0.13 0.00 0.00 55.73 52.93 1rmj s ARG 39 Cb 0.15 -1.63 0.04 0.00 -1.56 0.00 0.00 34.95 31.95 1rmj s ARG 39 CO 0.49 -0.27 0.12 -0.65 -0.81 0.00 0.00 175.30 174.18 1rmj s GLN 40 N -3.85 0.01 -0.03 5.12 -1.52 0.13 -4.27 119.66 115.25 1rmj s GLN 40 Ca 0.18 0.46 0.06 0.00 -1.95 0.00 0.00 55.36 54.11 1rmj s GLN 40 Cb 0.04 -0.31 -0.01 0.00 -0.22 0.00 0.00 33.01 32.51 1rmj s GLN 40 CO 0.10 -0.28 -0.22 0.00 -0.25 0.00 0.00 175.29 174.64 1rmj s ARG 42 N -0.33 2.36 -0.14 0.00 1.81 -0.87 0.91 118.95 122.69 1rmj s ARG 42 Ca 0.03 -1.21 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 1rmj s ARG 42 Cb -0.10 -2.29 0.02 0.00 -0.45 0.00 0.00 34.95 32.13 1rmj s ARG 42 CO 0.01 0.42 -0.12 -1.12 -0.68 0.00 0.00 175.30 173.81 1rmj s SER 43 N -3.18 2.61 0.28 0.23 0.01 0.55 -1.57 113.70 112.64 1rmj s SER 43 Ca 0.28 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.12 1rmj s SER 43 Cb -0.08 -1.10 -0.06 0.00 0.21 0.00 0.00 66.02 64.99 1rmj s SER 43 CO 0.19 -0.08 -0.02 -0.44 0.41 0.00 0.00 173.24 173.30 1rmj s SER 44 N 1.54 2.43 0.14 2.44 0.01 0.73 -0.63 113.70 120.36 1rmj s SER 44 Ca 0.04 -1.24 -0.20 0.00 1.31 0.00 0.00 55.95 55.87 1rmj s SER 44 Cb -0.13 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1rmj s SER 44 CO -0.10 -0.45 1.68 1.56 0.41 0.00 0.00 173.24 176.34 1rmj h GLN 45 N 2.30 -0.07 -0.49 12.44 4.20 -1.37 -0.61 115.11 131.50 1rmj h GLN 45 Ca -0.40 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.38 1rmj h GLN 45 Cb 1.23 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 1rmj h GLN 45 CO 0.67 -0.04 0.17 0.78 -0.67 0.00 0.00 178.83 179.74 1rmj h GLY 46 N -0.07 0.65 -7.14 3.46 0.00 -1.90 -3.36 103.07 94.71 1rmj h GLY 46 Ca 0.13 -0.10 -0.57 0.00 0.00 0.00 0.00 47.33 46.80 1rmj h GLY 46 CO -0.31 0.01 -0.76 1.62 0.00 0.00 0.00 176.54 177.11 1rmj s GLN 47 N -6.13 0.67 0.59 4.80 2.00 -0.64 -4.98 119.66 115.97 1rmj s GLN 47 Ca -0.13 -0.96 0.38 0.00 -2.00 0.00 0.00 55.36 52.65 1rmj s GLN 47 Cb 0.14 -1.93 2.07 0.00 0.80 0.00 0.00 33.01 34.10 1rmj s GLN 47 CO 0.73 -0.95 2.16 0.00 -0.50 0.00 0.00 175.29 176.73 1rmj h ARG 48 N 8.13 0.00 -0.55 1.67 -0.00 -1.31 0.23 114.38 122.55 1rmj h ARG 48 Ca -0.15 0.00 -0.40 0.00 -0.50 0.00 0.00 59.98 58.93 1rmj h ARG 48 Cb 1.02 0.00 -0.36 0.00 0.00 0.00 0.00 29.97 30.63 1rmj h ARG 48 CO 0.46 0.00 -0.84 0.54 0.00 0.00 0.00 179.97 180.13 1rmj n ARG 49 N -2.86 2.84 -3.76 0.04 1.74 -1.26 -4.30 116.66 109.09 1rmj n ARG 49 Ca -0.03 -3.84 -0.09 0.00 -0.77 0.00 0.00 57.85 53.13 1rmj n ARG 49 Cb 0.09 -1.97 -0.03 0.00 -1.02 0.00 0.00 32.46 29.53 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 -3.52 -0.12 0.06 -0.13 0.00 -0.61 -4.51 107.32 98.49 1rmj s GLY 50 Ca 0.44 -0.20 -0.14 0.00 0.00 0.00 0.00 44.72 44.82 1rmj s GLY 50 CO 0.00 -0.15 0.46 2.56 0.00 0.00 0.00 173.10 175.98 1rmj s PRO 51 N -3.89 3.94 0.22 2.90 0.04 -1.16 -2.46 135.00 134.59 1rmj s PRO 51 Ca 0.10 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 1rmj s PRO 51 Cb -0.03 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1rmj s PRO 51 CO 0.01 0.61 0.42 0.00 0.04 0.00 0.00 177.00 178.08 1rmj s TRP 53 N -1.90 -0.58 0.42 0.00 -2.14 -0.17 -4.99 118.94 109.58 1rmj s TRP 53 Ca 0.40 0.63 -0.20 0.00 2.66 0.00 0.00 56.10 59.59 1rmj s TRP 53 Cb -0.11 0.50 -0.11 0.00 -3.10 0.00 0.00 33.47 30.65 1rmj s TRP 53 CO 0.29 -0.74 0.92 0.00 -2.66 0.00 0.00 176.95 174.76 1rmj s VAL 55 N -2.16 0.05 0.82 0.00 -7.23 0.18 -3.04 120.40 109.03 1rmj s VAL 55 Ca 0.61 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1rmj s VAL 55 Cb -0.09 -2.05 0.17 0.00 0.56 0.00 0.00 36.38 34.96 1rmj s VAL 55 CO 0.14 -0.24 1.13 1.51 -0.31 0.00 0.00 175.10 177.33 1rmj s ASP 56 N -3.03 3.79 0.49 4.85 1.47 -0.53 -4.34 116.67 119.38 1rmj s ASP 56 Ca 0.23 -0.22 0.35 0.00 1.18 0.00 0.00 52.55 54.09 1rmj s ASP 56 Cb 0.04 0.02 1.49 0.00 -0.34 0.00 0.00 42.92 44.14 1rmj s ASP 56 CO 0.04 -2.26 1.69 0.08 0.68 0.00 0.00 175.17 175.40 1rmj h ARG 57 N -0.98 0.08 0.00 2.11 -0.00 -1.71 0.78 114.38 114.67 1rmj h ARG 57 Ca -0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.59 1rmj h ARG 57 Cb 1.25 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1rmj h ARG 57 CO 0.37 0.06 0.00 1.98 -0.00 0.00 0.00 179.97 182.37 1rmj h MET 58 N 0.09 0.00 0.00 0.08 1.85 -1.92 -2.79 114.93 112.23 1rmj h MET 58 Ca 0.74 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.83 1rmj h MET 58 Cb 2.62 0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.65 1rmj h MET 58 CO -0.18 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 176.74 1rmj n GLY 59 N 1.03 0.83 3.87 1.39 0.00 0.27 -4.60 105.19 107.98 1rmj n GLY 59 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.87 3.79 -0.40 1.61 2.20 -1.26 -4.75 119.74 120.06 1rmj s LYS 60 Ca 0.00 0.23 -0.40 0.00 -0.36 0.00 0.00 55.97 55.44 1rmj s LYS 60 Cb 0.00 -2.74 -0.15 0.00 -1.51 0.00 0.00 37.83 33.43 1rmj s LYS 60 CO 0.00 0.38 2.04 0.43 -0.36 0.00 0.00 175.35 177.84 1rmj n SER 61 N 0.07 1.65 -4.38 1.43 7.64 -1.26 -1.45 113.62 117.33 1rmj n SER 61 Ca -0.01 0.70 -0.51 0.00 1.01 0.00 0.00 58.87 60.06 1rmj n SER 61 Cb 0.52 -1.09 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 1rmj n SER 61 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rmj n LEU 62 N 7.71 0.77 -0.06 -3.43 4.77 -1.17 -4.74 117.00 120.84 1rmj n LEU 62 Ca 0.42 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.63 1rmj n LEU 62 Cb 0.10 -0.97 -0.13 0.00 -2.33 0.00 0.00 43.42 40.08 1rmj n LEU 62 CO 0.82 -0.78 0.07 1.55 -1.33 0.00 0.00 177.39 177.72 1rmj h PRO 63 N 10.99 0.04 0.00 3.23 0.13 -1.94 -3.34 132.00 141.11 1rmj h PRO 63 Ca -0.10 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1rmj h PRO 63 Cb 1.36 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1rmj h PRO 63 CO 1.20 1.03 0.00 0.41 -0.23 0.00 0.00 178.00 180.42 1rmj n GLY 64 N 1.58 -1.45 3.32 1.56 0.00 -1.26 -4.91 105.19 104.03 1rmj n GLY 64 Ca -0.17 0.65 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1rmj n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rmj s SER 65 N 0.00 4.01 0.37 1.61 1.04 -1.26 -4.99 113.70 114.48 1rmj s SER 65 Ca 0.00 -0.39 0.12 0.00 0.48 0.00 0.00 55.95 56.16 1rmj s SER 65 Cb 0.00 -1.64 0.71 0.00 0.10 0.00 0.00 66.02 65.18 1rmj s SER 65 CO 0.00 0.08 1.82 1.55 0.98 0.00 0.00 173.24 177.68 1rmj h PRO 66 N 7.33 0.03 -0.22 4.02 0.13 -2.01 -2.07 132.00 139.21 1rmj h PRO 66 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1rmj h PRO 66 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1rmj h PRO 66 CO 0.58 0.39 0.00 -0.40 -0.23 0.00 0.00 178.00 178.34 1rmj n ASP 67 N -4.10 1.08 -0.65 1.44 5.75 -1.26 -3.58 116.55 115.23 1rmj n ASP 67 Ca -0.02 -2.01 0.05 0.00 -0.01 0.00 0.00 54.79 52.80 1rmj n ASP 67 Cb 0.40 -0.15 0.20 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.78 4.98 0.03 6.12 0.00 -0.78 -4.94 105.19 111.38 1rmj n GLY 68 Ca 0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.15 0.01 0.00 1.61 4.13 -1.23 -3.70 115.26 114.93 1rmj n ASN 69 Ca 0.22 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.47 1rmj n ASN 69 Cb 0.77 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.01 1rmj n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rmj n GLY 70 N 4.94 2.41 0.33 7.41 0.00 -1.26 -4.30 105.19 114.73 1rmj n GLY 70 Ca 0.00 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -0.35 1.61 0.02 -1.97 -0.45 113.55 112.41 1rmj h SER 71 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1rmj h SER 71 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1rmj h SER 71 CO 0.00 0.00 -0.12 0.77 -1.14 0.00 0.00 176.83 176.34 1rmj h SER 72 N 0.00 0.70 0.00 3.07 4.64 -1.90 -3.43 113.55 116.63 1rmj h SER 72 Ca 0.13 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1rmj h SER 72 Cb 0.55 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1rmj h SER 72 CO -0.00 0.93 0.00 -1.20 -0.87 0.00 0.00 176.83 175.69 1rmj n SER 73 N -4.37 0.00 -3.75 4.97 7.64 -0.18 -4.28 113.62 113.65 1rmj n SER 73 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.73 1rmj n SER 73 Cb 0.37 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.44 1rmj n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rmj h PRO 75 N 6.58 0.00 -6.86 0.00 0.13 -1.83 -3.43 132.00 126.59 1rmj h PRO 75 Ca -0.34 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.27 1rmj h PRO 75 Cb 1.17 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.35 1rmj h PRO 75 CO 0.35 0.07 0.58 0.99 -0.23 0.00 0.00 178.00 179.76 1rmj s THR 76 N -2.05 2.97 0.00 1.56 2.01 -1.26 -4.94 115.64 113.92 1rmj s THR 76 Ca -0.11 0.98 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1rmj s THR 76 Cb 0.02 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1rmj s THR 76 CO 0.19 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1rmj n GLY 77 N 0.92 -0.35 3.04 4.40 0.00 -1.25 -4.85 105.19 107.11 1rmj n GLY 77 Ca -0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.00 0.57 -1.12 1.61 0.01 -1.25 -4.77 113.70 107.74 1rmj s SER 78 Ca 0.00 -0.65 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 1rmj s SER 78 Cb 0.00 0.10 0.28 0.00 0.21 0.00 0.00 66.02 66.60 1rmj s SER 78 CO 0.00 -0.34 1.46 -1.20 0.41 0.00 0.00 173.24 173.57 1rmj n SER 79 N 1.14 5.99 0.00 2.44 7.64 -1.26 -4.76 113.62 124.81 1rmj n SER 79 Ca -0.21 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.40 1rmj n SER 79 Cb 0.56 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64