#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 0.00 1.43 9.36 -1.26 -5.00 117.16 121.69 1rmj n TYR -26 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1rmj n TYR -26 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1rmj n TYR -26 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1rmj n TYR -25 N 0.00 0.00 -3.67 2.98 4.02 -1.26 -4.73 117.16 114.50 1rmj n TYR -25 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.60 1rmj n TYR -25 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1rmj n TYR -25 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1rmj n HIS -24 N 0.00 -1.98 -4.81 -0.72 8.25 -1.26 -3.81 115.22 110.89 1rmj n HIS -24 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1rmj n HIS -24 Cb 0.00 -3.34 0.00 0.00 1.12 0.00 0.00 29.99 27.77 1rmj n HIS -24 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1rmj n HIS -23 N -3.81 -0.62 0.10 4.41 8.25 -1.26 -3.11 115.22 119.18 1rmj n HIS -23 Ca -0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.29 1rmj n HIS -23 Cb 0.59 0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.84 1rmj n HIS -23 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1rmj h HIS -22 N 0.00 -0.30 -1.11 4.41 -0.00 -2.03 -3.37 115.15 112.75 1rmj h HIS -22 Ca 0.00 -0.01 -0.69 0.00 -0.00 0.00 0.00 60.37 59.68 1rmj h HIS -22 Cb 0.00 0.10 -0.10 0.00 -0.00 0.00 0.00 27.41 27.41 1rmj h HIS -22 CO 0.00 -0.19 2.02 -1.58 -0.00 0.00 0.00 177.93 178.18 1rmj s HIS -21 N -2.62 2.90 0.10 2.45 5.65 -1.26 -4.96 115.29 117.55 1rmj s HIS -21 Ca -0.05 -1.69 -0.36 0.00 0.25 0.00 0.00 55.06 53.21 1rmj s HIS -21 Cb 0.00 -4.68 -0.16 0.00 -1.18 0.00 0.00 32.58 26.57 1rmj s HIS -21 CO 0.14 -1.74 1.34 -2.39 -0.65 0.00 0.00 174.74 171.44 1rmj n HIS -20 N 7.91 1.54 -3.01 3.88 -0.00 -1.18 -4.98 115.22 119.38 1rmj n HIS -20 Ca 0.46 0.62 -0.20 0.00 -0.00 0.00 0.00 57.72 58.60 1rmj n HIS -20 Cb 0.46 -2.34 0.06 0.00 -0.00 0.00 0.00 29.99 28.17 1rmj n HIS -20 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1rmj s HIS -19 N 0.44 1.46 -0.04 -1.40 -3.43 -1.26 -5.03 115.29 106.03 1rmj s HIS -19 Ca 0.83 -0.69 0.01 0.00 -0.80 0.00 0.00 55.06 54.41 1rmj s HIS -19 Cb -0.93 -2.26 -0.03 0.00 -1.43 0.00 0.00 32.58 27.93 1rmj s HIS -19 CO 0.47 -1.17 -0.02 -3.47 -2.00 0.00 0.00 174.74 168.55 1rmj n ASP -18 N -2.27 3.80 -3.57 7.38 2.03 -1.26 -4.96 116.55 117.71 1rmj n ASP -18 Ca 0.15 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 55.16 1rmj n ASP -18 Cb 0.61 0.12 0.24 0.00 -0.72 0.00 0.00 41.12 41.37 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 -2.48 -3.89 -0.64 -0.67 4.02 -1.26 -5.08 117.16 107.15 1rmj n TYR -17 Ca -0.07 -0.99 0.00 0.00 -0.01 0.00 0.00 57.90 56.83 1rmj n TYR -17 Cb 0.59 -1.10 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 1rmj n TYR -17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1rmj n ASP -16 N -4.71 0.00 -4.86 7.72 -0.08 -1.26 -5.08 116.55 108.29 1rmj n ASP -16 Ca 0.15 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.12 1rmj n ASP -16 Cb 0.57 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.03 1rmj n ASP -16 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1rmj s ILE -15 N 3.06 4.62 -0.61 5.18 -4.36 -1.26 -4.95 121.20 122.88 1rmj s ILE -15 Ca 0.00 1.00 -0.26 0.00 -0.26 0.00 0.00 60.65 61.12 1rmj s ILE -15 Cb 0.00 -3.80 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 1rmj s ILE -15 CO 0.00 -0.97 2.01 -2.16 0.24 0.00 0.00 174.94 174.06 1rmj s PRO -14 N -4.76 2.47 0.24 0.37 0.04 -1.26 -4.97 135.00 127.12 1rmj s PRO -14 Ca 0.57 0.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 1rmj s PRO -14 Cb -0.11 -4.49 0.05 0.00 0.04 0.00 0.00 34.50 30.00 1rmj s PRO -14 CO 0.46 -2.95 0.33 0.25 0.04 0.00 0.00 177.00 175.12 1rmj n THR -13 N 7.48 0.00 0.43 1.26 -2.24 -1.26 -4.85 114.28 115.10 1rmj n THR -13 Ca 0.26 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 1rmj n THR -13 Cb 0.52 -1.85 -0.10 0.00 -2.10 0.00 0.00 70.33 66.80 1rmj n THR -13 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1rmj h THR -12 N -1.16 0.03 -0.12 4.28 1.35 -2.02 -1.71 112.91 113.56 1rmj h THR -12 Ca -0.11 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.79 1rmj h THR -12 Cb 0.29 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.74 1rmj h THR -12 CO 0.08 0.00 0.20 -0.33 -0.25 0.00 0.00 175.52 175.22 1rmj h GLU -11 N -1.20 0.00 0.00 4.72 3.07 -2.00 0.15 114.58 119.32 1rmj h GLU -11 Ca -0.11 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1rmj h GLU -11 Cb 0.96 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1rmj h GLU -11 CO 0.11 0.00 -0.02 -0.97 -1.40 0.00 0.00 179.01 176.73 1rmj h ASN -10 N 0.00 0.00 0.19 1.42 -0.73 -1.61 0.15 115.58 115.00 1rmj h ASN -10 Ca 0.06 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.97 1rmj h ASN -10 Cb 0.46 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.08 1rmj h ASN -10 CO -0.00 0.02 -1.15 -0.07 -0.37 0.00 0.00 177.43 175.85 1rmj h LEU -9 N 0.00 0.62 -0.23 0.34 4.07 -0.66 -0.91 115.31 118.54 1rmj h LEU -9 Ca -0.00 -0.93 -0.00 0.00 0.08 0.00 0.00 57.88 57.02 1rmj h LEU -9 Cb 0.27 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1rmj h LEU -9 CO 0.00 1.55 0.13 0.22 -1.08 0.00 0.00 178.44 179.26 1rmj h TYR -8 N -0.14 0.32 -1.87 1.13 3.20 -1.35 -2.26 116.97 116.00 1rmj h TYR -8 Ca -0.21 -0.01 -0.76 0.00 3.14 0.00 0.00 58.73 60.90 1rmj h TYR -8 Cb 1.88 -0.10 -0.27 0.00 1.54 0.00 0.00 36.73 39.78 1rmj h TYR -8 CO 0.16 0.28 1.04 1.19 -1.64 0.00 0.00 178.16 179.19 1rmj n PHE -7 N -4.87 2.99 -1.12 -3.82 3.72 0.45 -4.95 117.46 109.87 1rmj n PHE -7 Ca -0.03 -2.40 -0.10 0.00 -0.05 0.00 0.00 57.45 54.87 1rmj n PHE -7 Cb 0.07 -1.22 -0.05 0.00 -0.94 0.00 0.00 39.48 37.33 1rmj n PHE -7 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1rmj n GLN -6 N -0.57 0.03 0.00 -1.08 7.27 -0.35 -4.71 117.38 117.97 1rmj n GLN -6 Ca 0.55 -0.67 0.00 0.00 0.07 0.00 0.00 57.00 56.95 1rmj n GLN -6 Cb 0.29 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 30.81 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rmj n GLY -5 N 4.92 -0.83 3.81 1.69 0.00 -1.26 -4.77 105.19 108.75 1rmj n GLY -5 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj s ALA -4 N -3.05 3.28 0.55 4.61 0.00 -1.26 -4.83 121.76 121.06 1rmj s ALA -4 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1rmj s ALA -4 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1rmj s ALA -4 CO 0.00 0.25 0.00 -1.33 0.00 0.00 0.00 175.76 174.68 1rmj n MET -3 N 0.40 1.57 -1.36 0.00 0.00 -1.26 -4.87 117.12 111.60 1rmj n MET -3 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.30 1rmj n MET -3 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.68 1rmj n MET -3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rmj n GLY -2 N 5.00 2.48 3.66 3.03 0.00 0.16 -4.27 105.19 115.26 1rmj n GLY -2 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 8.40 -3.03 -4.14 1.61 7.64 -1.26 -4.46 113.62 118.38 1rmj n SER -1 Ca 0.49 -0.88 -0.26 0.00 1.01 0.00 0.00 58.87 59.23 1rmj n SER -1 Cb 0.41 -3.91 -0.16 0.00 -1.01 0.00 0.00 64.21 59.54 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 -3.97 0.93 0.04 0.23 0.00 -1.17 -4.87 107.32 98.52 1rmj s GLY 1 Ca 0.20 -0.70 0.21 0.00 0.00 0.00 0.00 44.72 44.43 1rmj s GLY 1 CO 0.82 -0.37 1.66 -1.55 0.00 0.00 0.00 173.10 173.67 1rmj n PRO 2 N 3.12 0.04 -0.03 2.90 -0.04 -1.12 -3.39 135.00 136.49 1rmj n PRO 2 Ca -0.18 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 1rmj n PRO 2 Cb 0.53 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 1rmj n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rmj h ARG 4 N 0.40 0.33 -0.56 0.00 9.65 -1.49 1.04 114.38 123.76 1rmj h ARG 4 Ca -0.04 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 1rmj h ARG 4 Cb 1.31 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 1rmj h ARG 4 CO 0.14 0.22 0.05 0.07 2.80 0.00 0.00 179.97 183.25 1rmj h ARG 5 N 0.34 0.92 -0.24 0.20 0.11 -1.74 0.49 114.38 114.47 1rmj h ARG 5 Ca 0.25 -0.24 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1rmj h ARG 5 Cb 0.28 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1rmj h ARG 5 CO -0.27 0.88 -0.09 0.45 0.10 0.00 0.00 179.97 181.05 1rmj h HIS 6 N 0.86 0.55 0.08 4.08 3.86 -0.97 -1.35 115.15 122.25 1rmj h HIS 6 Ca 0.17 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1rmj h HIS 6 Cb 0.44 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1rmj h HIS 6 CO 0.03 0.73 -0.04 1.25 0.86 0.00 0.00 177.93 180.76 1rmj h LEU 7 N 0.21 -0.09 -0.46 2.43 5.85 0.14 0.64 115.31 124.03 1rmj h LEU 7 Ca 0.06 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1rmj h LEU 7 Cb 0.57 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1rmj h LEU 7 CO 0.03 0.11 0.17 -0.78 -0.34 0.00 0.00 178.44 177.63 1rmj h ASP 8 N -0.28 0.20 0.34 1.25 3.58 -0.00 1.79 116.42 123.30 1rmj h ASP 8 Ca -0.01 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1rmj h ASP 8 Cb 0.24 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1rmj h ASP 8 CO 0.02 0.15 -0.16 0.28 -2.88 0.00 0.00 179.24 176.64 1rmj h SER 9 N 0.36 -0.39 -0.62 2.28 0.02 -1.12 0.36 113.55 114.44 1rmj h SER 9 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1rmj h SER 9 Cb 0.19 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1rmj h SER 9 CO -0.20 -0.25 0.40 0.58 -1.14 0.00 0.00 176.83 176.21 1rmj h VAL 10 N -0.49 1.17 -0.38 2.27 2.07 -0.36 0.57 116.25 121.09 1rmj h VAL 10 Ca -0.05 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1rmj h VAL 10 Cb 0.37 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1rmj h VAL 10 CO 0.08 0.16 0.17 0.25 0.02 0.00 0.00 177.57 178.25 1rmj h LEU 11 N 0.84 0.23 -0.21 2.57 5.85 0.31 1.33 115.31 126.22 1rmj h LEU 11 Ca 0.23 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1rmj h LEU 11 Cb -0.08 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1rmj h LEU 11 CO -0.05 0.17 -0.22 1.56 -0.34 0.00 0.00 178.44 179.56 1rmj h GLN 12 N 0.35 0.52 -0.20 1.25 4.20 0.25 -3.29 115.11 118.20 1rmj h GLN 12 Ca 0.16 -0.28 -0.18 0.00 0.06 0.00 0.00 58.65 58.41 1rmj h GLN 12 Cb 0.10 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1rmj h GLN 12 CO -0.13 0.87 -0.60 1.96 -0.67 0.00 0.00 178.83 180.25 1rmj h GLN 13 N 0.21 0.67 -0.95 1.46 4.20 0.52 -3.27 115.11 117.95 1rmj h GLN 13 Ca 0.03 -0.46 0.24 0.00 0.06 0.00 0.00 58.65 58.53 1rmj h GLN 13 Cb 0.78 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 1rmj h GLN 13 CO 0.05 1.08 0.64 1.37 -0.67 0.00 0.00 178.83 181.30 1rmj h LEU 14 N 0.50 0.30 -1.00 1.46 8.10 0.17 1.37 115.31 126.21 1rmj h LEU 14 Ca -0.00 0.04 -0.06 0.00 0.11 0.00 0.00 57.88 57.97 1rmj h LEU 14 Cb 1.18 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 41.36 1rmj h LEU 14 CO 0.12 0.10 0.09 1.56 -4.11 0.00 0.00 178.44 176.20 1rmj h GLN 15 N 0.29 0.82 0.00 0.17 4.20 -1.70 -2.79 115.11 116.09 1rmj h GLN 15 Ca 0.50 -0.18 -0.21 0.00 0.06 0.00 0.00 58.65 58.82 1rmj h GLN 15 Cb 1.44 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1rmj h GLN 15 CO -0.16 0.76 -1.69 2.41 -0.67 0.00 0.00 178.83 179.48 1rmj n THR 16 N -4.26 1.18 0.52 -0.54 -1.04 0.69 -4.11 114.28 106.72 1rmj n THR 16 Ca 0.03 -0.72 0.02 0.00 -2.04 0.00 0.00 64.05 61.35 1rmj n THR 16 Cb 0.25 -0.67 0.12 0.00 -1.82 0.00 0.00 70.33 68.21 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 -2.83 2.11 0.30 -2.82 -0.58 0.44 -4.15 120.64 113.10 1rmj n GLU 17 Ca -0.15 -0.93 0.19 0.00 -0.42 0.00 0.00 57.16 55.85 1rmj n GLU 17 Cb 0.91 -1.67 0.91 0.00 -0.57 0.00 0.00 31.44 31.02 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 1.21 0.12 0.23 2.62 2.07 -1.65 0.25 116.25 121.11 1rmj h VAL 18 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1rmj h VAL 18 Cb 0.88 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1rmj h VAL 18 CO 0.13 0.03 -0.11 0.10 0.02 0.00 0.00 177.57 177.74 1rmj h TYR 19 N 0.00 -0.29 0.00 1.57 -0.00 -1.91 0.72 116.97 117.06 1rmj h TYR 19 Ca -0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.73 58.47 1rmj h TYR 19 Cb 0.27 0.10 -0.04 0.00 -0.00 0.00 0.00 36.73 37.05 1rmj h TYR 19 CO 0.00 -0.14 -1.47 0.07 -0.00 0.00 0.00 178.16 176.61 1rmj h ARG 20 N -0.36 0.00 -0.12 0.10 -0.00 -1.87 -3.32 114.38 108.81 1rmj h ARG 20 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1rmj h ARG 20 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.25 1rmj h ARG 20 CO 0.05 0.59 0.00 0.41 -0.00 0.00 0.00 179.97 181.02 1rmj n GLY 21 N 1.48 0.19 0.37 0.08 0.00 0.85 -4.23 105.19 103.92 1rmj n GLY 21 Ca -0.12 -0.42 0.09 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 h ALA 22 N 4.13 1.64 -0.01 4.61 0.00 0.35 -1.04 119.26 128.94 1rmj h ALA 22 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rmj h ALA 22 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rmj h ALA 22 CO 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 1rmj n GLN 23 N -4.58 0.87 -2.33 0.00 10.64 -1.26 0.55 117.38 121.28 1rmj n GLN 23 Ca 0.18 -0.99 -0.03 0.00 -1.83 0.00 0.00 57.00 54.34 1rmj n GLN 23 Cb 0.38 -1.17 0.09 0.00 -0.86 0.00 0.00 30.24 28.68 1rmj n GLN 23 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1rmj n THR 24 N 0.37 0.00 -2.63 -0.39 -2.24 0.60 -4.20 114.28 105.79 1rmj n THR 24 Ca 0.06 -0.78 -0.43 0.00 -2.27 0.00 0.00 64.05 60.63 1rmj n THR 24 Cb 0.25 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 -3.21 4.14 -0.04 3.22 2.96 -0.41 -4.42 118.68 120.91 1rmj s LEU 25 Ca 0.07 1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 55.29 1rmj s LEU 25 Cb 0.35 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.44 1rmj s LEU 25 CO -0.10 -0.64 0.39 -0.47 -1.32 0.00 0.00 176.35 174.21 1rmj s TYR 26 N 3.02 3.66 -0.11 5.38 5.04 -1.26 0.13 117.35 133.22 1rmj s TYR 26 Ca 0.46 0.91 0.02 0.00 -2.44 0.00 0.00 57.07 56.03 1rmj s TYR 26 Cb -0.17 -2.32 0.01 0.00 0.35 0.00 0.00 41.96 39.84 1rmj s TYR 26 CO 0.09 0.54 -0.15 0.08 -1.34 0.00 0.00 175.55 174.77 1rmj s VAL 27 N -0.66 1.49 0.20 3.14 1.01 0.44 -4.96 120.40 121.06 1rmj s VAL 27 Ca 0.23 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1rmj s VAL 27 Cb -0.16 -1.36 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 1rmj s VAL 27 CO 0.11 0.44 0.83 -2.16 0.00 0.00 0.00 175.10 174.33 1rmj s PRO 28 N 0.98 4.64 -0.26 2.72 0.04 -1.26 -2.41 135.00 139.44 1rmj s PRO 28 Ca -0.07 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 1rmj s PRO 28 Cb -0.15 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1rmj s PRO 28 CO -0.01 0.52 0.12 1.21 0.04 0.00 0.00 177.00 178.88 1rmj s ASN 29 N -1.22 5.45 0.03 6.66 3.04 -0.81 -4.74 114.94 123.35 1rmj s ASN 29 Ca 0.39 -0.17 0.09 0.00 0.04 0.00 0.00 52.86 53.21 1rmj s ASN 29 Cb -0.23 -1.99 -0.03 0.00 -1.54 0.00 0.00 41.25 37.46 1rmj s ASN 29 CO 0.27 -0.05 -0.25 0.00 -3.04 0.00 0.00 177.10 174.03 1rmj s ASP 31 N -1.11 4.01 0.65 0.00 2.15 -0.71 -4.83 116.67 116.82 1rmj s ASP 31 Ca 0.12 0.17 0.22 0.00 0.43 0.00 0.00 52.55 53.49 1rmj s ASP 31 Cb -0.10 -0.51 1.16 0.00 -0.30 0.00 0.00 42.92 43.17 1rmj s ASP 31 CO 0.02 -2.13 1.65 0.45 -0.17 0.00 0.00 175.17 174.98 1rmj h HIS 32 N -1.01 0.00 0.00 -5.34 3.86 -2.00 0.41 115.15 111.06 1rmj h HIS 32 Ca -0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 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 -0.39 0.00 0.00 0.54 0.86 0.00 0.00 177.93 178.94 1rmj n ARG 33 N -2.98 0.96 -0.79 2.45 5.12 -1.26 0.39 116.66 120.55 1rmj n ARG 33 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1rmj n ARG 33 Cb 0.67 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 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 0.54 0.28 3.91 -0.13 0.00 0.14 -3.04 105.19 106.90 1rmj n GLY 34 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.79 3.36 -0.76 1.61 0.40 -1.26 0.12 117.98 119.66 1rmj s PHE 35 Ca 0.00 0.01 -0.25 0.00 -0.60 0.00 0.00 56.93 56.09 1rmj s PHE 35 Cb 0.00 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1rmj s PHE 35 CO 0.00 0.49 1.91 0.71 0.70 0.00 0.00 175.22 179.03 1rmj s TYR 36 N -1.89 1.73 -0.04 0.36 2.02 -1.07 -1.73 117.35 116.73 1rmj s TYR 36 Ca 0.33 0.72 -0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1rmj s TYR 36 Cb -0.10 -4.06 -0.01 0.00 -0.40 0.00 0.00 41.96 37.39 1rmj s TYR 36 CO 0.27 -2.02 0.18 -0.09 -1.57 0.00 0.00 175.55 172.32 1rmj h ARG 37 N 13.12 -0.09 0.00 -0.62 9.65 -1.69 -3.19 114.38 131.56 1rmj h ARG 37 Ca -0.08 0.01 -0.35 0.00 -1.10 0.00 0.00 59.98 58.46 1rmj h ARG 37 Cb 1.08 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.62 1rmj h ARG 37 CO 1.21 -0.06 -2.27 0.36 2.80 0.00 0.00 179.97 182.01 1rmj n LYS 38 N -3.38 0.54 -4.27 0.20 0.00 -1.26 -3.30 118.16 106.69 1rmj n LYS 38 Ca -0.01 0.15 -0.28 0.00 -0.00 0.00 0.00 58.31 58.17 1rmj n LYS 38 Cb 0.04 -1.42 -0.09 0.00 -0.00 0.00 0.00 35.03 33.55 1rmj n LYS 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1rmj s ARG 39 N -2.44 2.08 -0.06 -1.58 0.52 -1.26 0.11 118.95 116.32 1rmj s ARG 39 Ca -0.30 -1.18 -0.02 0.00 -0.52 0.00 0.00 55.73 53.70 1rmj s ARG 39 Cb 0.09 -2.21 0.04 0.00 0.52 0.00 0.00 34.95 33.38 1rmj s ARG 39 CO 0.49 0.46 0.11 -0.65 0.02 0.00 0.00 175.30 175.72 1rmj s GLN 40 N -2.61 -0.01 0.00 3.54 -1.52 -0.98 -1.92 119.66 116.17 1rmj s GLN 40 Ca 0.24 0.43 0.01 0.00 -1.95 0.00 0.00 55.36 54.09 1rmj s GLN 40 Cb -0.10 -0.34 -0.00 0.00 -0.22 0.00 0.00 33.01 32.35 1rmj s GLN 40 CO 0.15 -0.28 -0.04 0.00 -0.25 0.00 0.00 175.29 174.87 1rmj s ARG 42 N -0.22 3.60 -0.07 0.00 1.81 -1.09 -0.42 118.95 122.56 1rmj s ARG 42 Ca 0.00 -0.05 0.03 0.00 -1.72 0.00 0.00 55.73 54.00 1rmj s ARG 42 Cb -0.02 -3.07 -0.02 0.00 -0.45 0.00 0.00 34.95 31.39 1rmj s ARG 42 CO -0.00 0.64 -0.17 -1.12 -0.68 0.00 0.00 175.30 173.97 1rmj s SER 43 N -1.71 3.74 -0.04 0.23 0.01 0.36 -2.91 113.70 113.38 1rmj s SER 43 Ca 0.28 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1rmj s SER 43 Cb -0.13 -1.02 0.01 0.00 0.21 0.00 0.00 66.02 65.09 1rmj s SER 43 CO 0.16 0.27 -0.07 -0.44 0.41 0.00 0.00 173.24 173.57 1rmj s SER 44 N -0.30 1.16 0.00 2.44 0.01 -1.23 -0.29 113.70 115.49 1rmj s SER 44 Ca 0.02 -0.18 0.13 0.00 1.31 0.00 0.00 55.95 57.23 1rmj s SER 44 Cb -0.13 -0.48 0.71 0.00 0.21 0.00 0.00 66.02 66.33 1rmj s SER 44 CO 0.03 0.00 1.47 0.00 0.41 0.00 0.00 173.24 175.14 1rmj n GLN 45 N 3.74 1.13 0.00 12.44 6.02 0.19 -3.22 117.38 137.69 1rmj n GLN 45 Ca -0.23 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1rmj n GLN 45 Cb 0.52 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.56 1rmj n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rmj n GLY 46 N 0.76 1.95 0.00 1.08 0.00 -1.26 -4.93 105.19 102.79 1rmj n GLY 46 Ca 0.10 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.44 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 0.27 0.00 1.61 10.64 -1.26 -3.11 117.38 125.52 1rmj n GLN 47 Ca 0.00 0.02 0.14 0.00 -1.83 0.00 0.00 57.00 55.33 1rmj n GLN 47 Cb 0.00 -1.50 0.61 0.00 -0.86 0.00 0.00 30.24 28.49 1rmj n GLN 47 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1rmj n ARG 48 N -1.36 0.29 0.00 2.61 5.12 -1.26 -4.93 116.66 117.13 1rmj n ARG 48 Ca 0.11 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1rmj n ARG 48 Cb 0.26 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1rmj n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1rmj n ARG 49 N -1.31 0.00 0.00 5.56 5.12 -1.18 -3.93 116.66 120.93 1rmj n ARG 49 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1rmj n ARG 49 Cb 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.60 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 0.00 0.30 3.91 -0.13 0.00 -1.24 -4.82 105.19 103.21 1rmj n GLY 50 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.16 3.42 0.14 1.61 0.04 -1.15 -3.52 135.00 134.39 1rmj s PRO 51 Ca 0.00 -0.43 -0.05 0.00 0.04 0.00 0.00 61.00 60.56 1rmj s PRO 51 Cb 0.00 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.45 1rmj s PRO 51 CO 0.00 0.62 0.37 0.00 0.04 0.00 0.00 177.00 178.03 1rmj s TRP 53 N -1.65 1.54 0.23 0.00 -2.14 -0.04 -4.97 118.94 111.90 1rmj s TRP 53 Ca 0.41 -0.58 -0.30 0.00 2.66 0.00 0.00 56.10 58.29 1rmj s TRP 53 Cb -0.12 -0.76 -0.09 0.00 -3.10 0.00 0.00 33.47 29.40 1rmj s TRP 53 CO 0.25 0.23 0.98 0.00 -2.66 0.00 0.00 176.95 175.75 1rmj s VAL 55 N -0.98 0.46 0.77 0.00 -7.23 0.29 0.42 120.40 114.13 1rmj s VAL 55 Ca 0.43 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1rmj s VAL 55 Cb -0.27 -2.44 0.14 0.00 0.56 0.00 0.00 36.38 34.37 1rmj s VAL 55 CO 0.34 -0.15 1.06 1.51 -0.31 0.00 0.00 175.10 177.54 1rmj s ASP 56 N -3.23 4.11 0.55 4.85 -4.77 -0.44 -4.11 116.67 113.62 1rmj s ASP 56 Ca 0.34 -0.24 0.33 0.00 -3.30 0.00 0.00 52.55 49.67 1rmj s ASP 56 Cb 0.07 -0.08 1.49 0.00 -1.09 0.00 0.00 42.92 43.31 1rmj s ASP 56 CO 0.10 -2.03 1.86 0.08 0.70 0.00 0.00 175.17 175.88 1rmj h ARG 57 N -0.74 0.00 0.00 2.11 0.11 -1.54 0.42 114.38 114.73 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 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1rmj h ARG 57 CO 0.40 0.00 -0.25 0.52 0.10 0.00 0.00 179.97 180.74 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.89 -2.84 114.93 113.14 1rmj h MET 58 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1rmj h MET 58 Cb 1.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1rmj h MET 58 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1rmj n GLY 59 N 1.24 0.91 3.73 8.32 0.00 0.15 -4.76 105.19 114.78 1rmj n GLY 59 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.71 4.33 0.06 1.61 2.36 -1.26 -4.67 119.74 121.46 1rmj s LYS 60 Ca 0.00 2.15 -0.30 0.00 -2.55 0.00 0.00 55.97 55.26 1rmj s LYS 60 Cb 0.00 -3.18 -0.05 0.00 -1.05 0.00 0.00 37.83 33.55 1rmj s LYS 60 CO 0.00 -0.36 1.16 -1.12 1.55 0.00 0.00 175.35 176.58 1rmj s SER 61 N 0.56 7.13 0.41 1.43 0.01 -1.26 -1.33 113.70 120.66 1rmj s SER 61 Ca 0.60 1.96 -0.11 0.00 1.31 0.00 0.00 55.95 59.72 1rmj s SER 61 Cb -0.39 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.20 1rmj s SER 61 CO 0.37 -0.43 0.78 -0.76 0.41 0.00 0.00 173.24 173.62 1rmj s LEU 62 N 1.01 3.81 0.12 2.44 1.43 0.17 -4.95 118.68 122.70 1rmj s LEU 62 Ca 0.57 1.15 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 1rmj s LEU 62 Cb -0.28 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 1rmj s LEU 62 CO 0.29 -0.42 1.62 1.55 0.23 0.00 0.00 176.35 179.63 1rmj h PRO 63 N 1.19 0.61 0.00 1.29 0.13 -1.91 -3.43 132.00 129.88 1rmj h PRO 63 Ca -0.47 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1rmj h PRO 63 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1rmj h PRO 63 CO 0.64 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 179.46 1rmj n GLY 64 N -0.57 0.48 3.65 1.56 0.00 -1.26 -5.06 105.19 103.99 1rmj n GLY 64 Ca -0.01 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.50 4.49 0.50 1.61 0.01 -1.26 -5.01 113.70 113.54 1rmj s SER 65 Ca 0.00 -0.71 0.25 0.00 1.31 0.00 0.00 55.95 56.81 1rmj s SER 65 Cb 0.00 -0.78 1.32 0.00 0.21 0.00 0.00 66.02 66.77 1rmj s SER 65 CO 0.00 -0.05 2.03 1.55 0.41 0.00 0.00 173.24 177.17 1rmj h PRO 66 N 1.85 0.00 -0.26 12.44 0.13 -1.99 -0.76 132.00 143.41 1rmj h PRO 66 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1rmj h PRO 66 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rmj h PRO 66 CO 0.61 0.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 1rmj n ASP 67 N -3.68 1.44 -4.03 1.44 5.75 -1.26 -4.59 116.55 111.62 1rmj n ASP 67 Ca -0.02 -1.96 -0.43 0.00 -0.01 0.00 0.00 54.79 52.38 1rmj n ASP 67 Cb 0.27 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.95 4.05 3.82 6.12 0.00 -0.29 -4.98 105.19 114.86 1rmj n GLY 68 Ca 0.10 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 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 2.58 6.02 0.00 1.61 3.84 -1.26 -4.44 114.94 123.29 1rmj s ASN 69 Ca 0.45 1.70 0.00 0.00 0.21 0.00 0.00 52.86 55.22 1rmj s ASN 69 Cb 0.08 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1rmj s ASN 69 CO -0.02 -1.00 0.00 0.61 -2.79 0.00 0.00 177.10 173.90 1rmj n GLY 70 N -1.36 0.77 0.22 1.21 0.00 -1.26 -4.52 105.19 100.25 1rmj n GLY 70 Ca 0.08 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 1.61 0.02 -1.81 -2.26 113.55 111.09 1rmj h SER 71 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1rmj h SER 71 Cb 0.42 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 1rmj h SER 71 CO 0.00 0.24 -0.16 0.28 -1.14 0.00 0.00 176.83 176.04 1rmj h SER 72 N 0.00 -0.48 0.00 3.07 0.02 -1.97 -3.36 113.55 110.83 1rmj h SER 72 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1rmj h SER 72 Cb 0.50 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1rmj h SER 72 CO 0.03 -0.22 0.00 -1.20 -1.14 0.00 0.00 176.83 174.30 1rmj n SER 73 N -5.30 0.00 -3.67 3.07 7.64 -1.19 -5.02 113.62 109.16 1rmj n SER 73 Ca -0.05 0.09 -0.11 0.00 1.01 0.00 0.00 58.87 59.82 1rmj n SER 73 Cb 0.21 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.21 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 6.36 0.00 -4.12 0.00 0.13 -1.76 -3.42 132.00 129.19 1rmj h PRO 75 Ca -0.31 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.20 1rmj h PRO 75 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1rmj h PRO 75 CO 0.20 0.35 -0.75 0.99 -0.23 0.00 0.00 178.00 178.56 1rmj s THR 76 N -1.88 1.49 0.00 1.56 2.01 -1.26 -4.06 115.64 113.50 1rmj s THR 76 Ca -0.09 -1.66 0.00 0.00 0.31 0.00 0.00 61.69 60.25 1rmj s THR 76 Cb -0.00 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.48 1rmj s THR 76 CO 0.26 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 1rmj n GLY 77 N 4.61 -1.67 3.00 4.40 0.00 -1.26 -4.68 105.19 109.59 1rmj n GLY 77 Ca -0.02 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 0.69 -1.21 1.61 0.01 -1.26 -4.99 113.70 108.55 1rmj s SER 78 Ca 0.00 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 1rmj s SER 78 Cb 0.00 -0.02 0.21 0.00 0.21 0.00 0.00 66.02 66.42 1rmj s SER 78 CO 0.00 -0.05 1.78 -1.54 0.41 0.00 0.00 173.24 173.84 1rmj n SER 79 N 2.33 5.70 0.00 2.44 3.41 -1.26 -5.26 113.62 120.98 1rmj n SER 79 Ca -0.17 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 1rmj n SER 79 Cb 0.57 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49