#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 0.18 1.43 4.19 -1.26 -3.32 117.16 118.38 1rmj n TYR -26 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 1rmj n TYR -26 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 1rmj n TYR -26 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1rmj h TYR -25 N 0.00 -0.47 -3.09 2.98 0.05 -2.14 -3.37 116.97 110.93 1rmj h TYR -25 Ca 0.00 -0.01 -0.73 0.00 0.05 0.00 0.00 58.73 58.04 1rmj h TYR -25 Cb 0.00 0.16 -0.22 0.00 1.01 0.00 0.00 36.73 37.68 1rmj h TYR -25 CO 0.00 -0.29 0.19 -1.58 -1.05 0.00 0.00 178.16 175.43 1rmj s HIS -24 N -3.29 3.26 0.58 4.88 2.46 -1.21 -5.03 115.29 116.93 1rmj s HIS -24 Ca -0.07 -1.36 0.07 0.00 0.47 0.00 0.00 55.06 54.17 1rmj s HIS -24 Cb 0.01 -3.98 0.08 0.00 -0.13 0.00 0.00 32.58 28.55 1rmj s HIS -24 CO 0.22 -1.21 0.80 -1.01 -2.47 0.00 0.00 174.74 171.06 1rmj s HIS -23 N 1.87 1.72 0.23 3.88 3.76 -1.26 0.11 115.29 125.60 1rmj s HIS -23 Ca 0.16 -0.56 0.08 0.00 -0.15 0.00 0.00 55.06 54.59 1rmj s HIS -23 Cb -0.18 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 1rmj s HIS -23 CO -0.01 -1.14 0.07 -1.58 -0.85 0.00 0.00 174.74 171.24 1rmj s HIS -22 N -2.71 2.90 -1.53 1.40 2.46 -1.26 -4.93 115.29 111.62 1rmj s HIS -22 Ca 0.61 -0.15 0.08 0.00 0.47 0.00 0.00 55.06 56.08 1rmj s HIS -22 Cb -0.06 -1.33 0.31 0.00 -0.13 0.00 0.00 32.58 31.36 1rmj s HIS -22 CO 0.39 0.56 1.16 -2.39 -2.47 0.00 0.00 174.74 171.99 1rmj n HIS -21 N -0.78 0.59 -2.18 3.88 1.44 -1.26 -4.79 115.22 112.13 1rmj n HIS -21 Ca -0.08 -0.25 -0.31 0.00 -2.01 0.00 0.00 57.72 55.08 1rmj n HIS -21 Cb 0.57 -0.10 -0.05 0.00 0.12 0.00 0.00 29.99 30.54 1rmj n HIS -21 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1rmj s HIS -20 N -1.64 2.07 -0.98 -1.40 3.76 -1.26 -4.88 115.29 110.96 1rmj s HIS -20 Ca 0.22 0.12 -0.21 0.00 -0.15 0.00 0.00 55.06 55.04 1rmj s HIS -20 Cb 0.13 -4.18 0.08 0.00 1.11 0.00 0.00 32.58 29.72 1rmj s HIS -20 CO 0.12 -1.54 1.32 -1.01 -0.85 0.00 0.00 174.74 172.78 1rmj s HIS -19 N 9.23 2.75 -0.66 1.40 0.09 -1.26 -4.95 115.29 121.88 1rmj s HIS -19 Ca 0.65 -1.03 -0.26 0.00 -0.00 0.00 0.00 55.06 54.41 1rmj s HIS -19 Cb -0.02 -4.54 -0.02 0.00 -0.00 0.00 0.00 32.58 28.00 1rmj s HIS -19 CO 0.06 -1.77 1.86 0.34 -0.00 0.00 0.00 174.74 175.22 1rmj s ASP -18 N 4.45 5.28 0.24 1.40 -1.08 -1.26 -4.96 116.67 120.74 1rmj s ASP -18 Ca 0.41 0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.67 1rmj s ASP -18 Cb -0.02 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.86 1rmj s ASP -18 CO -0.09 -2.42 0.06 -0.47 0.52 0.00 0.00 175.17 172.77 1rmj s TYR -17 N 9.13 2.86 -0.73 -5.34 5.04 -1.26 -5.05 117.35 122.00 1rmj s TYR -17 Ca 0.67 -0.17 -0.27 0.00 -2.44 0.00 0.00 57.07 54.86 1rmj s TYR -17 Cb -0.11 -1.30 0.03 0.00 0.35 0.00 0.00 41.96 40.92 1rmj s TYR -17 CO 0.17 0.57 1.34 0.34 -1.34 0.00 0.00 175.55 176.63 1rmj s ASP -16 N -3.59 6.07 0.14 4.32 2.15 -1.26 -4.97 116.67 119.53 1rmj s ASP -16 Ca 0.31 -0.38 -0.30 0.00 0.43 0.00 0.00 52.55 52.61 1rmj s ASP -16 Cb -0.07 -2.56 -0.07 0.00 -0.30 0.00 0.00 42.92 39.92 1rmj s ASP -16 CO 0.21 -1.89 1.10 -0.63 -0.17 0.00 0.00 175.17 173.80 1rmj s ILE -15 N 6.07 3.99 -0.06 4.11 1.01 -1.26 -4.95 121.20 130.10 1rmj s ILE -15 Ca 0.38 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.37 1rmj s ILE -15 Cb -0.08 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 1rmj s ILE -15 CO 0.15 0.24 1.74 -2.16 0.00 0.00 0.00 174.94 174.92 1rmj s PRO -14 N -0.00 4.09 1.16 2.79 0.04 -1.26 -4.99 135.00 136.83 1rmj s PRO -14 Ca 0.51 2.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.62 1rmj s PRO -14 Cb -0.29 -4.05 0.27 0.00 0.04 0.00 0.00 34.50 30.48 1rmj s PRO -14 CO 0.33 -0.97 1.05 0.95 0.04 0.00 0.00 177.00 178.40 1rmj s THR -13 N 4.44 1.83 -0.02 1.26 -4.23 -1.26 -4.92 115.64 112.74 1rmj s THR -13 Ca 0.78 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 61.05 1rmj s THR -13 Cb -0.34 -2.28 -0.17 0.00 1.34 0.00 0.00 72.50 71.04 1rmj s THR -13 CO 0.32 0.00 1.11 0.71 -0.54 0.00 0.00 174.62 176.22 1rmj h THR -12 N -2.52 0.98 0.00 3.99 1.35 -1.99 -2.94 112.91 111.78 1rmj h THR -12 Ca -0.55 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1rmj h THR -12 Cb 1.33 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1rmj h THR -12 CO 0.48 0.21 0.00 -0.62 -0.25 0.00 0.00 175.52 175.34 1rmj n GLU -11 N -4.96 0.45 0.20 4.72 -0.58 -1.26 -3.15 120.64 116.05 1rmj n GLU -11 Ca -0.08 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.79 1rmj n GLU -11 Cb 0.26 -1.32 0.72 0.00 -0.57 0.00 0.00 31.44 30.53 1rmj n GLU -11 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1rmj h ASN -10 N 0.00 0.00 0.44 1.62 7.08 -1.87 0.20 115.58 123.05 1rmj h ASN -10 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1rmj h ASN -10 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1rmj h ASN -10 CO 0.00 0.00 -0.09 -0.11 -2.08 0.00 0.00 177.43 175.15 1rmj n LEU -9 N -2.46 0.33 0.20 6.14 7.94 -1.19 -3.73 117.00 124.23 1rmj n LEU -9 Ca -0.01 0.10 0.14 0.00 -1.11 0.00 0.00 56.01 55.12 1rmj n LEU -9 Cb 0.07 -0.22 0.70 0.00 0.53 0.00 0.00 43.42 44.50 1rmj n LEU -9 CO 0.13 0.06 0.91 0.22 -1.11 0.00 0.00 177.39 177.61 1rmj h TYR -8 N 0.37 0.00 0.64 1.96 5.03 -0.86 -1.31 116.97 122.80 1rmj h TYR -8 Ca 0.00 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1rmj h TYR -8 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1rmj h TYR -8 CO 0.00 0.00 -0.46 0.74 -1.32 0.00 0.00 178.16 177.12 1rmj h PHE -7 N 0.00 -1.26 -0.01 -3.82 0.04 -1.78 -1.67 116.94 108.44 1rmj h PHE -7 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rmj h PHE -7 Cb 0.08 0.47 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1rmj h PHE -7 CO 0.00 -0.66 -0.39 0.00 -0.60 0.00 0.00 178.31 176.66 1rmj n GLN -6 N -5.33 0.78 -2.14 1.51 10.64 -1.13 -4.10 117.38 117.61 1rmj n GLN -6 Ca -0.13 -0.53 -0.27 0.00 -1.83 0.00 0.00 57.00 54.24 1rmj n GLN -6 Cb 0.45 -1.49 0.02 0.00 -0.86 0.00 0.00 30.24 28.36 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rmj n GLY -5 N 1.39 6.15 3.69 2.61 0.00 -0.51 -5.04 105.19 113.49 1rmj n GLY -5 Ca 0.10 -2.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.04 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 -3.63 3.35 0.09 4.61 0.00 -0.64 -4.62 121.76 120.93 1rmj s ALA -4 Ca 0.51 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1rmj s ALA -4 Cb 0.42 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1rmj s ALA -4 CO -0.09 -0.42 0.08 -1.33 0.00 0.00 0.00 175.76 174.00 1rmj n MET -3 N 4.54 1.26 -1.71 0.00 2.81 -1.26 -4.99 117.12 117.76 1rmj n MET -3 Ca 0.05 -0.56 -0.40 0.00 -1.81 0.00 0.00 57.70 54.97 1rmj n MET -3 Cb 0.50 0.04 -0.01 0.00 -0.71 0.00 0.00 33.22 33.03 1rmj n MET -3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rmj n GLY -2 N 3.87 4.60 3.11 3.03 0.00 0.13 -4.72 105.19 115.22 1rmj n GLY -2 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 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 3.70 -6.90 -3.79 1.61 7.64 -1.26 -4.54 113.62 110.08 1rmj n SER -1 Ca 0.63 0.44 -0.13 0.00 1.01 0.00 0.00 58.87 60.82 1rmj n SER -1 Cb 0.29 -3.45 -0.13 0.00 -1.01 0.00 0.00 64.21 59.91 1rmj n SER -1 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rmj s GLY 1 N -1.77 -0.12 0.27 0.23 0.00 -1.15 -4.78 107.32 100.01 1rmj s GLY 1 Ca 0.21 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.55 1rmj s GLY 1 CO 0.67 0.62 1.69 -0.56 0.00 0.00 0.00 173.10 175.52 1rmj h PRO 2 N 6.25 0.43 -0.67 2.90 0.13 -1.85 -3.08 132.00 136.12 1rmj h PRO 2 Ca -0.30 -0.19 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1rmj h PRO 2 Cb 1.18 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1rmj h PRO 2 CO 0.40 0.71 0.32 0.00 -0.23 0.00 0.00 178.00 179.20 1rmj h ARG 4 N 0.57 0.45 -0.64 0.00 1.12 -0.34 1.26 114.38 116.80 1rmj h ARG 4 Ca 0.32 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 59.10 1rmj h ARG 4 Cb 0.32 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.15 1rmj h ARG 4 CO -0.25 0.30 0.15 0.00 -3.11 0.00 0.00 179.97 177.06 1rmj h ARG 5 N 0.46 1.03 -0.15 0.20 3.08 -1.16 -0.65 114.38 117.19 1rmj h ARG 5 Ca 0.22 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1rmj h ARG 5 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1rmj h ARG 5 CO -0.17 0.93 0.00 0.45 -1.07 0.00 0.00 179.97 180.11 1rmj h HIS 6 N 0.95 0.28 -0.01 3.04 3.86 0.14 -1.36 115.15 122.06 1rmj h HIS 6 Ca 0.20 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1rmj h HIS 6 Cb 0.36 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1rmj h HIS 6 CO 0.03 0.47 -0.12 1.25 0.86 0.00 0.00 177.93 180.42 1rmj h LEU 7 N 0.01 -0.34 -0.63 2.43 6.46 0.17 0.69 115.31 124.10 1rmj h LEU 7 Ca 0.04 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1rmj h LEU 7 Cb 0.36 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 1rmj h LEU 7 CO 0.01 -0.17 0.33 -0.78 -0.62 0.00 0.00 178.44 177.22 1rmj h ASP 8 N -0.19 0.48 0.14 1.25 3.58 -1.09 0.74 116.42 121.32 1rmj h ASP 8 Ca 0.04 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1rmj h ASP 8 Cb 0.25 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1rmj h ASP 8 CO -0.12 0.31 -0.07 0.28 -2.88 0.00 0.00 179.24 176.77 1rmj h SER 9 N 0.62 -0.16 -0.30 2.28 0.02 -0.58 0.18 113.55 115.61 1rmj h SER 9 Ca 0.28 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1rmj h SER 9 Cb 0.20 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1rmj h SER 9 CO -0.19 0.11 0.19 0.58 -1.14 0.00 0.00 176.83 176.37 1rmj h VAL 10 N -0.43 1.10 -0.56 2.27 2.07 0.86 0.53 116.25 122.10 1rmj h VAL 10 Ca -0.02 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1rmj h VAL 10 Cb 0.34 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1rmj h VAL 10 CO 0.03 0.10 0.06 0.17 0.02 0.00 0.00 177.57 177.95 1rmj h LEU 11 N 0.39 0.88 -0.16 2.57 8.10 0.52 0.67 115.31 128.28 1rmj h LEU 11 Ca 0.11 -0.20 -0.08 0.00 0.11 0.00 0.00 57.88 57.81 1rmj h LEU 11 Cb -0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 39.99 1rmj h LEU 11 CO -0.02 0.90 -0.23 1.56 -4.11 0.00 0.00 178.44 176.54 1rmj h GLN 12 N 0.86 0.44 -0.06 0.17 4.20 -0.21 -3.17 115.11 117.33 1rmj h GLN 12 Ca 0.17 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1rmj h GLN 12 Cb 0.42 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1rmj h GLN 12 CO 0.01 0.85 -0.14 1.96 -0.67 0.00 0.00 178.83 180.84 1rmj h GLN 13 N 0.07 0.21 -0.78 1.46 7.50 0.25 -3.24 115.11 120.57 1rmj h GLN 13 Ca 0.02 -0.14 0.17 0.00 0.50 0.00 0.00 58.65 59.20 1rmj h GLN 13 Cb 0.80 0.02 -0.05 0.00 0.05 0.00 0.00 27.48 28.30 1rmj h GLN 13 CO 0.05 0.73 0.53 1.37 -1.50 0.00 0.00 178.83 180.01 1rmj h LEU 14 N -0.29 0.33 -0.88 1.46 8.10 0.26 1.69 115.31 125.97 1rmj h LEU 14 Ca 0.00 0.02 -0.12 0.00 0.11 0.00 0.00 57.88 57.90 1rmj h LEU 14 Cb 0.73 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1rmj h LEU 14 CO 0.03 0.16 -0.46 1.56 -4.11 0.00 0.00 178.44 175.61 1rmj h GLN 15 N 0.34 0.22 0.15 0.17 1.08 -1.58 -1.78 115.11 113.71 1rmj h GLN 15 Ca 0.39 -0.11 -0.34 0.00 -1.45 0.00 0.00 58.65 57.13 1rmj h GLN 15 Cb 1.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1rmj h GLN 15 CO -0.11 0.64 -1.76 1.15 -0.95 0.00 0.00 178.83 177.80 1rmj h THR 16 N 0.18 0.91 -1.10 -0.54 2.02 -0.85 -3.33 112.91 110.20 1rmj h THR 16 Ca 0.01 -2.54 -0.52 0.00 0.77 0.00 0.00 66.41 64.12 1rmj h THR 16 Cb 0.89 2.70 -0.19 0.00 -1.74 0.00 0.00 68.15 69.80 1rmj h THR 16 CO 0.07 0.84 0.54 -0.62 0.37 0.00 0.00 175.52 176.72 1rmj n GLU 17 N -3.52 2.37 -0.26 6.66 -0.58 0.55 -4.69 120.64 121.18 1rmj n GLU 17 Ca -0.24 -2.46 0.21 0.00 -0.42 0.00 0.00 57.16 54.24 1rmj n GLU 17 Cb 1.06 -2.08 0.53 0.00 -0.57 0.00 0.00 31.44 30.39 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 1.74 0.63 -0.99 2.62 2.07 -1.44 0.38 116.25 121.27 1rmj h VAL 18 Ca 0.42 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.98 1rmj h VAL 18 Cb 0.65 0.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1rmj h VAL 18 CO 1.00 0.07 0.62 0.10 0.02 0.00 0.00 177.57 179.37 1rmj h TYR 19 N 0.37 1.03 0.06 1.57 -0.00 -1.85 0.72 116.97 118.87 1rmj h TYR 19 Ca 0.49 0.03 -0.24 0.00 0.00 0.00 0.00 58.73 59.01 1rmj h TYR 19 Cb 1.30 -0.32 -0.02 0.00 0.00 0.00 0.00 36.73 37.70 1rmj h TYR 19 CO -0.00 0.31 -1.28 0.00 -0.00 0.00 0.00 178.16 177.18 1rmj h ARG 20 N 0.81 0.14 -0.52 0.10 -0.00 -1.19 -3.05 114.38 110.66 1rmj h ARG 20 Ca 0.53 -0.23 0.10 0.00 -0.50 0.00 0.00 59.98 59.88 1rmj h ARG 20 Cb 0.77 0.09 -0.09 0.00 0.00 0.00 0.00 29.97 30.74 1rmj h ARG 20 CO -0.31 1.11 -0.04 0.78 0.00 0.00 0.00 179.97 181.51 1rmj h GLY 21 N -0.30 0.49 1.56 0.04 0.00 0.42 0.22 103.07 105.49 1rmj h GLY 21 Ca -0.30 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1rmj h GLY 21 CO -0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 176.54 176.26 1rmj n ALA 22 N -2.76 2.59 -0.09 3.60 0.00 0.24 -3.75 120.51 120.34 1rmj n ALA 22 Ca 0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1rmj n ALA 22 Cb 0.29 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.33 0.50 -1.70 0.00 6.02 0.54 0.85 117.38 122.26 1rmj n GLN 23 Ca 0.10 0.40 -0.03 0.00 -0.01 0.00 0.00 57.00 57.47 1rmj n GLN 23 Cb 0.30 -1.59 0.03 0.00 1.02 0.00 0.00 30.24 30.00 1rmj n GLN 23 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1rmj n THR 24 N -4.51 0.00 -2.61 5.09 5.66 0.94 -3.68 114.28 115.17 1rmj n THR 24 Ca -0.16 -0.40 -0.43 0.00 -3.05 0.00 0.00 64.05 60.01 1rmj n THR 24 Cb 0.45 0.63 -0.02 0.00 -1.55 0.00 0.00 70.33 69.84 1rmj n THR 24 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1rmj s LEU 25 N -1.64 4.19 -0.05 1.09 0.20 -0.13 -4.30 118.68 118.04 1rmj s LEU 25 Ca 0.04 1.54 -0.15 0.00 0.69 0.00 0.00 54.13 56.25 1rmj s LEU 25 Cb 0.18 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.34 1rmj s LEU 25 CO -0.05 -0.59 0.39 -0.47 -0.29 0.00 0.00 176.35 175.34 1rmj s TYR 26 N 2.67 3.64 -0.04 5.38 5.04 -1.26 -0.54 117.35 132.23 1rmj s TYR 26 Ca 0.49 0.89 0.05 0.00 -2.44 0.00 0.00 57.07 56.06 1rmj s TYR 26 Cb -0.19 -2.33 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 1rmj s TYR 26 CO 0.14 0.49 -0.20 0.14 -1.34 0.00 0.00 175.55 174.78 1rmj s VAL 27 N -0.49 2.55 0.05 3.14 -7.23 0.26 -4.94 120.40 113.73 1rmj s VAL 27 Ca 0.23 -0.91 -0.22 0.00 -1.81 0.00 0.00 61.98 59.26 1rmj s VAL 27 Cb -0.16 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.77 1rmj s VAL 27 CO 0.11 0.58 0.66 -2.16 -0.31 0.00 0.00 175.10 173.98 1rmj s PRO 28 N -0.54 4.38 -0.10 4.82 0.04 -1.26 -0.98 135.00 141.36 1rmj s PRO 28 Ca 0.07 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.82 1rmj s PRO 28 Cb -0.11 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1rmj s PRO 28 CO 0.01 0.42 0.46 1.21 0.04 0.00 0.00 177.00 179.14 1rmj s ASN 29 N -0.45 6.70 0.02 6.66 2.47 0.12 -4.62 114.94 125.83 1rmj s ASN 29 Ca 0.33 0.83 0.07 0.00 0.42 0.00 0.00 52.86 54.51 1rmj s ASN 29 Cb -0.20 -2.28 -0.02 0.00 -1.45 0.00 0.00 41.25 37.30 1rmj s ASN 29 CO 0.20 0.05 -0.20 0.00 -3.72 0.00 0.00 177.10 173.44 1rmj s ASP 31 N -0.87 3.65 0.62 0.00 2.15 -1.01 -4.81 116.67 116.40 1rmj s ASP 31 Ca 0.07 0.26 0.25 0.00 0.43 0.00 0.00 52.55 53.56 1rmj s ASP 31 Cb -0.08 -0.47 1.25 0.00 -0.30 0.00 0.00 42.92 43.32 1rmj s ASP 31 CO 0.01 -2.39 1.69 -0.74 -0.17 0.00 0.00 175.17 173.57 1rmj h HIS 32 N -1.30 0.00 -0.13 -5.34 2.76 -1.99 0.37 115.15 109.52 1rmj h HIS 32 Ca -0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1rmj h HIS 32 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 1rmj h HIS 32 CO -0.67 0.00 0.00 2.89 -1.30 0.00 0.00 177.93 178.85 1rmj n ARG 33 N -3.24 1.40 -0.72 5.26 -4.01 -1.26 0.21 116.66 114.31 1rmj n ARG 33 Ca 0.07 -0.50 0.00 0.00 -1.04 0.00 0.00 57.85 56.37 1rmj n ARG 33 Cb 0.77 -1.23 0.00 0.00 -3.04 0.00 0.00 32.46 28.96 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1rmj n GLY 34 N 0.58 0.31 3.96 2.89 0.00 0.13 -2.92 105.19 110.14 1rmj n GLY 34 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.92 2.52 -1.09 1.61 0.40 -1.26 -0.01 117.98 118.23 1rmj s PHE 35 Ca 0.00 0.13 -0.19 0.00 -0.60 0.00 0.00 56.93 56.27 1rmj s PHE 35 Cb 0.00 -3.07 0.10 0.00 0.51 0.00 0.00 43.02 40.55 1rmj s PHE 35 CO 0.00 -1.39 1.42 0.71 0.70 0.00 0.00 175.22 176.66 1rmj s TYR 36 N -3.11 2.91 -0.04 0.36 1.51 -1.19 -2.41 117.35 115.37 1rmj s TYR 36 Ca 0.61 -1.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.29 1rmj s TYR 36 Cb -0.09 -4.53 -0.00 0.00 -0.11 0.00 0.00 41.96 37.22 1rmj s TYR 36 CO 0.43 -1.70 0.02 -0.09 -1.11 0.00 0.00 175.55 173.11 1rmj h ARG 37 N 8.61 -0.01 0.00 -0.62 2.43 -1.66 -2.80 114.38 120.32 1rmj h ARG 37 Ca 0.26 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.05 1rmj h ARG 37 Cb 0.96 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 1rmj h ARG 37 CO 1.32 -0.01 -2.34 1.63 -1.51 0.00 0.00 179.97 179.06 1rmj n LYS 38 N -3.17 0.54 -5.01 0.20 4.01 -1.26 -2.95 118.16 110.53 1rmj n LYS 38 Ca -0.00 0.19 -0.32 0.00 -0.51 0.00 0.00 58.31 57.67 1rmj n LYS 38 Cb 0.00 -1.41 -0.14 0.00 -0.51 0.00 0.00 35.03 32.97 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 -2.45 2.27 -0.13 1.97 6.06 -1.26 0.14 118.95 125.54 1rmj s ARG 39 Ca -0.33 -0.84 0.02 0.00 -2.50 0.00 0.00 55.73 52.08 1rmj s ARG 39 Cb 0.11 -2.21 0.01 0.00 0.06 0.00 0.00 34.95 32.92 1rmj s ARG 39 CO 0.48 0.58 -0.19 -0.65 -2.50 0.00 0.00 175.30 173.02 1rmj s GLN 40 N -0.82 2.71 -0.02 5.12 1.11 0.08 0.12 119.66 127.97 1rmj s GLN 40 Ca 0.11 -0.74 0.06 0.00 0.01 0.00 0.00 55.36 54.81 1rmj s GLN 40 Cb -0.10 -2.25 -0.02 0.00 -1.01 0.00 0.00 33.01 29.63 1rmj s GLN 40 CO 0.01 -0.06 -0.20 0.00 0.01 0.00 0.00 175.29 175.04 1rmj s ARG 42 N -0.48 3.44 -0.13 0.00 6.06 -0.29 0.89 118.95 128.45 1rmj s ARG 42 Ca 0.08 -0.55 -0.00 0.00 -2.50 0.00 0.00 55.73 52.76 1rmj s ARG 42 Cb -0.08 -2.98 0.02 0.00 0.06 0.00 0.00 34.95 31.98 1rmj s ARG 42 CO -0.01 0.54 -0.11 -1.12 -2.50 0.00 0.00 175.30 172.10 1rmj s SER 43 N -3.06 2.42 0.20 -2.12 0.01 0.29 -2.96 113.70 108.49 1rmj s SER 43 Ca 0.35 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1rmj s SER 43 Cb -0.11 -1.01 -0.05 0.00 0.21 0.00 0.00 66.02 65.06 1rmj s SER 43 CO 0.28 -0.09 0.01 -0.44 0.41 0.00 0.00 173.24 173.41 1rmj s SER 44 N 1.59 1.45 -0.14 2.44 0.01 -1.18 -0.04 113.70 117.84 1rmj s SER 44 Ca 0.05 -1.20 -0.24 0.00 1.31 0.00 0.00 55.95 55.87 1rmj s SER 44 Cb -0.13 0.08 -0.25 0.00 0.21 0.00 0.00 66.02 65.93 1rmj s SER 44 CO -0.09 -0.56 0.62 1.56 0.41 0.00 0.00 173.24 175.18 1rmj h GLN 45 N 2.59 0.09 -0.24 12.44 4.20 0.38 -3.13 115.11 131.43 1rmj h GLN 45 Ca -0.37 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.21 1rmj h GLN 45 Cb 1.21 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.00 1rmj h GLN 45 CO 0.63 1.07 -0.32 0.78 -0.67 0.00 0.00 178.83 180.32 1rmj h GLY 46 N -0.71 -1.41 -7.44 3.46 0.00 -1.89 -3.25 103.07 91.83 1rmj h GLY 46 Ca -0.16 0.77 -0.66 0.00 0.00 0.00 0.00 47.33 47.28 1rmj h GLY 46 CO -0.02 -0.38 -0.52 1.20 0.00 0.00 0.00 176.54 176.82 1rmj s GLN 47 N -4.52 2.24 0.32 4.80 -0.21 -1.26 -4.93 119.66 116.10 1rmj s GLN 47 Ca -0.08 -2.63 0.22 0.00 0.02 0.00 0.00 55.36 52.89 1rmj s GLN 47 Cb 0.05 -3.49 1.19 0.00 1.00 0.00 0.00 33.01 31.76 1rmj s GLN 47 CO 0.35 -1.14 1.68 0.54 -2.12 0.00 0.00 175.29 174.60 1rmj n ARG 48 N 3.19 0.15 -1.32 2.91 1.74 -1.18 -3.85 116.66 118.30 1rmj n ARG 48 Ca 0.07 0.62 -0.38 0.00 -0.77 0.00 0.00 57.85 57.39 1rmj n ARG 48 Cb 0.34 -1.96 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 1rmj n ARG 48 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1rmj n ARG 49 N -2.28 2.68 0.00 5.56 1.85 -1.26 -4.72 116.66 118.49 1rmj n ARG 49 Ca -0.01 -2.14 0.00 0.00 -1.00 0.00 0.00 57.85 54.70 1rmj n ARG 49 Cb 0.05 -2.93 0.00 0.00 -1.05 0.00 0.00 32.46 28.53 1rmj n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rmj n GLY 50 N 3.99 0.96 3.73 2.89 0.00 -1.25 -4.40 105.19 111.11 1rmj n GLY 50 Ca 0.58 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 4.61 0.09 1.61 0.04 -1.15 -3.08 135.00 137.12 1rmj s PRO 51 Ca 0.00 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1rmj s PRO 51 Cb 0.00 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1rmj s PRO 51 CO 0.00 0.09 0.26 0.00 0.04 0.00 0.00 177.00 177.39 1rmj s TRP 53 N -1.57 -0.10 0.54 0.00 -2.14 0.12 -3.81 118.94 111.97 1rmj s TRP 53 Ca 0.37 0.23 -0.16 0.00 2.66 0.00 0.00 56.10 59.20 1rmj s TRP 53 Cb -0.13 0.02 -0.07 0.00 -3.10 0.00 0.00 33.47 30.20 1rmj s TRP 53 CO 0.27 -0.17 1.00 0.00 -2.66 0.00 0.00 176.95 175.39 1rmj s VAL 55 N -2.70 0.00 0.82 0.00 -7.23 0.38 -1.23 120.40 110.43 1rmj s VAL 55 Ca 0.59 -1.73 -0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1rmj s VAL 55 Cb -0.10 -2.38 0.17 0.00 0.56 0.00 0.00 36.38 34.62 1rmj s VAL 55 CO 0.35 0.00 1.12 1.51 -0.31 0.00 0.00 175.10 177.77 1rmj s ASP 56 N -3.11 3.80 0.57 4.85 -4.77 -0.63 -3.98 116.67 113.40 1rmj s ASP 56 Ca 0.32 -0.27 0.30 0.00 -3.30 0.00 0.00 52.55 49.59 1rmj s ASP 56 Cb 0.03 0.08 1.46 0.00 -1.09 0.00 0.00 42.92 43.40 1rmj s ASP 56 CO 0.12 -2.25 1.88 0.08 0.70 0.00 0.00 175.17 175.70 1rmj h ARG 57 N -0.95 0.00 0.00 2.11 -0.00 -1.64 0.37 114.38 114.28 1rmj h ARG 57 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 1rmj h ARG 57 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 1rmj h ARG 57 CO 0.36 0.00 -0.07 1.98 -0.00 0.00 0.00 179.97 182.25 1rmj h MET 58 N 0.00 0.00 0.00 0.08 1.85 -1.86 -3.16 114.93 111.84 1rmj h MET 58 Ca 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.40 1rmj h MET 58 Cb 1.43 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.46 1rmj h MET 58 CO -0.00 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 176.92 1rmj n GLY 59 N 1.11 1.14 3.72 1.39 0.00 0.13 -4.63 105.19 108.05 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 -0.62 4.61 -0.33 1.61 2.20 -1.26 -4.73 119.74 121.23 1rmj s LYS 60 Ca 0.00 1.46 -0.27 0.00 -0.36 0.00 0.00 55.97 56.79 1rmj s LYS 60 Cb 0.00 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 1rmj s LYS 60 CO 0.00 0.06 2.27 -1.12 -0.36 0.00 0.00 175.35 176.20 1rmj s SER 61 N 0.55 5.09 -0.00 1.43 0.01 -1.26 -1.60 113.70 117.92 1rmj s SER 61 Ca 0.50 1.56 -0.01 0.00 1.31 0.00 0.00 55.95 59.31 1rmj s SER 61 Cb -0.23 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.49 1rmj s SER 61 CO 0.29 -2.29 0.59 -0.07 0.41 0.00 0.00 173.24 172.17 1rmj h LEU 62 N 16.70 -0.02 0.00 2.44 3.38 -1.47 -3.46 115.31 132.87 1rmj h LEU 62 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1rmj h LEU 62 Cb 1.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1rmj h LEU 62 CO 1.04 -0.01 0.00 -0.81 0.09 0.00 0.00 178.44 178.75 1rmj n PRO 63 N -2.11 2.28 0.00 1.13 -0.04 -1.26 -5.06 135.00 129.95 1rmj n PRO 63 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1rmj n PRO 63 Cb 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 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 5.00 1.00 3.79 0.55 0.00 -1.26 -4.91 105.19 109.37 1rmj n GLY 64 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 1.00 6.90 0.61 1.61 0.01 -1.26 -4.77 113.70 117.80 1rmj s SER 65 Ca 0.00 1.93 0.38 0.00 1.31 0.00 0.00 55.95 59.56 1rmj s SER 65 Cb 0.00 -2.57 2.02 0.00 0.21 0.00 0.00 66.02 65.67 1rmj s SER 65 CO 0.00 -0.39 2.25 1.55 0.41 0.00 0.00 173.24 177.06 1rmj h PRO 66 N 2.50 0.00 0.00 12.44 0.13 -1.98 -0.67 132.00 144.42 1rmj h PRO 66 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1rmj h PRO 66 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rmj h PRO 66 CO 0.62 0.02 0.00 -3.47 -0.23 0.00 0.00 178.00 174.94 1rmj n ASP 67 N -3.30 0.38 -2.94 1.44 2.03 -1.26 -3.34 116.55 109.55 1rmj n ASP 67 Ca -0.02 0.60 -0.14 0.00 0.52 0.00 0.00 54.79 55.75 1rmj n ASP 67 Cb 0.13 -0.68 0.01 0.00 -0.72 0.00 0.00 41.12 39.86 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 -0.15 2.50 0.10 0.27 0.00 -0.26 -4.91 105.19 102.74 1rmj n GLY 68 Ca 0.02 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 0.12 0.81 -0.04 1.61 5.03 -1.20 -4.41 115.26 117.19 1rmj n ASN 69 Ca 0.16 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.84 1rmj n ASN 69 Cb 0.73 0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.65 1rmj n ASN 69 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rmj n GLY 70 N 1.71 -2.07 0.33 7.41 0.00 -1.26 -4.37 105.19 106.94 1rmj n GLY 70 Ca -0.25 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 44.72 1rmj n GLY 70 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rmj h SER 71 N 0.00 0.72 -0.69 1.61 4.64 -1.93 -1.29 113.55 116.60 1rmj h SER 71 Ca 0.00 -0.03 0.15 0.00 -0.47 0.00 0.00 61.79 61.44 1rmj h SER 71 Cb 0.00 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 1rmj h SER 71 CO 0.00 0.55 0.47 0.28 -0.87 0.00 0.00 176.83 177.26 1rmj h SER 72 N 0.83 0.28 0.03 4.97 0.02 -1.99 -0.89 113.55 116.81 1rmj h SER 72 Ca 0.22 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1rmj h SER 72 Cb -0.04 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.46 1rmj h SER 72 CO -0.04 0.15 -0.30 0.28 -1.14 0.00 0.00 176.83 175.77 1rmj h SER 73 N 0.30 0.21 -3.85 3.07 0.02 -1.45 -3.47 113.55 108.38 1rmj h SER 73 Ca 0.34 -0.88 -0.08 0.00 -0.84 0.00 0.00 61.79 60.32 1rmj h SER 73 Cb 0.90 -0.07 -0.23 0.00 0.14 0.00 0.00 62.40 63.14 1rmj h SER 73 CO -0.08 1.07 -0.09 0.00 -1.14 0.00 0.00 176.83 176.59 1rmj h PRO 75 N 5.46 0.00 -2.81 0.00 0.13 -1.85 -3.33 132.00 129.61 1rmj h PRO 75 Ca -0.28 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.45 1rmj h PRO 75 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rmj h PRO 75 CO 0.17 0.40 0.40 -2.37 -0.23 0.00 0.00 178.00 176.38 1rmj n THR 76 N -3.81 0.00 0.00 1.56 5.66 -1.26 -4.68 114.28 111.74 1rmj n THR 76 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1rmj n THR 76 Cb 0.47 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 1rmj n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rmj n GLY 77 N 2.31 3.32 3.04 1.09 0.00 -1.26 -4.95 105.19 108.74 1rmj n GLY 77 Ca 0.17 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1rmj n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rmj n SER 78 N 0.00 2.71 -0.01 1.61 7.64 -1.26 -4.37 113.62 119.94 1rmj n SER 78 Ca 0.00 -2.70 -0.03 0.00 1.01 0.00 0.00 58.87 57.15 1rmj n SER 78 Cb 0.00 -1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 62.01 1rmj n SER 78 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rmj n SER 79 N 7.26 1.08 0.00 6.43 7.64 -1.26 -5.28 113.62 129.49 1rmj n SER 79 Ca 0.50 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1rmj n SER 79 Cb 0.40 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64