#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rmj h TYR -26 N 0.00 0.00 -2.32 1.43 0.05 -2.07 -3.48 116.97 110.59 1rmj h TYR -26 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 1rmj h TYR -26 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1rmj h TYR -26 CO 0.00 0.30 -0.45 -0.47 -1.05 0.00 0.00 178.16 176.49 1rmj s TYR -25 N -2.22 3.45 0.44 4.88 5.04 -1.26 -4.98 117.35 122.70 1rmj s TYR -25 Ca -0.17 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1rmj s TYR -25 Cb 0.03 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.74 1rmj s TYR -25 CO 0.28 0.47 0.00 -2.39 -1.34 0.00 0.00 175.55 172.57 1rmj n HIS -24 N -1.10 -3.64 0.00 4.97 1.44 -1.26 -4.88 115.22 110.75 1rmj n HIS -24 Ca -0.08 1.88 0.00 0.00 -2.01 0.00 0.00 57.72 57.51 1rmj n HIS -24 Cb 0.56 -3.31 0.00 0.00 0.12 0.00 0.00 29.99 27.36 1rmj n HIS -24 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1rmj n HIS -23 N -4.25 0.00 -3.48 -1.40 8.25 -1.26 -4.84 115.22 108.24 1rmj n HIS -23 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 1rmj n HIS -23 Cb 0.66 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 1rmj n HIS -23 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1rmj s HIS -22 N -0.84 -0.50 0.00 4.41 -3.43 -1.26 -4.54 115.29 109.13 1rmj s HIS -22 Ca 0.00 0.53 0.00 0.00 -0.80 0.00 0.00 55.06 54.79 1rmj s HIS -22 Cb 0.00 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1rmj s HIS -22 CO 0.00 -0.66 0.00 1.58 -2.00 0.00 0.00 174.74 173.66 1rmj n HIS -21 N 0.09 0.00 -1.98 0.38 -0.00 -1.26 -4.76 115.22 107.69 1rmj n HIS -21 Ca -0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.30 1rmj n HIS -21 Cb 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.54 1rmj n HIS -21 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1rmj n HIS -20 N 0.00 2.53 -1.93 1.57 -0.00 -1.26 -4.88 115.22 111.25 1rmj n HIS -20 Ca 0.00 -1.35 -0.35 0.00 -0.00 0.00 0.00 57.72 56.02 1rmj n HIS -20 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 29.99 27.37 1rmj n HIS -20 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1rmj s HIS -19 N 11.44 1.54 -0.13 4.41 0.09 -1.26 -4.83 115.29 126.55 1rmj s HIS -19 Ca 0.69 0.97 -0.41 0.00 -0.00 0.00 0.00 55.06 56.32 1rmj s HIS -19 Cb -0.00 -3.95 -0.18 0.00 -0.00 0.00 0.00 32.58 28.44 1rmj s HIS -19 CO 0.14 -2.22 1.37 -3.47 -0.00 0.00 0.00 174.74 170.56 1rmj n ASP -18 N 13.87 1.10 -4.32 1.40 2.03 -1.26 -4.94 116.55 124.42 1rmj n ASP -18 Ca 0.28 1.14 -0.35 0.00 0.52 0.00 0.00 54.79 56.38 1rmj n ASP -18 Cb 0.51 -1.02 -0.14 0.00 -0.72 0.00 0.00 41.12 39.75 1rmj n ASP -18 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1rmj s TYR -17 N 1.36 3.00 -0.61 -0.67 5.04 -1.26 -5.01 117.35 119.19 1rmj s TYR -17 Ca 0.93 -0.92 0.02 0.00 -2.44 0.00 0.00 57.07 54.66 1rmj s TYR -17 Cb -1.20 -2.13 0.40 0.00 0.35 0.00 0.00 41.96 39.37 1rmj s TYR -17 CO 0.61 -0.54 1.56 -3.47 -1.34 0.00 0.00 175.55 172.37 1rmj n ASP -16 N 4.81 6.09 -3.79 4.32 -0.08 -1.26 -4.96 116.55 121.69 1rmj n ASP -16 Ca -0.17 -3.78 -0.22 0.00 -1.51 0.00 0.00 54.79 49.11 1rmj n ASP -16 Cb 0.50 -0.74 -0.17 0.00 2.34 0.00 0.00 41.12 43.05 1rmj n ASP -16 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1rmj s ILE -15 N -5.24 0.38 -0.03 5.18 1.01 -1.26 -4.96 121.20 116.29 1rmj s ILE -15 Ca 0.51 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.23 1rmj s ILE -15 Cb 0.42 -0.51 -0.13 0.00 0.01 0.00 0.00 42.46 42.25 1rmj s ILE -15 CO -0.26 0.25 2.00 -0.81 0.00 0.00 0.00 174.94 176.12 1rmj n PRO -14 N 4.96 0.99 -3.67 2.79 -0.04 -1.26 -4.66 135.00 134.10 1rmj n PRO -14 Ca -0.10 -0.51 -0.11 0.00 -0.04 0.00 0.00 63.50 62.74 1rmj n PRO -14 Cb 0.50 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 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 2.09 -0.01 -0.07 0.52 -4.23 -1.26 -4.99 115.64 107.69 1rmj s THR -13 Ca 0.32 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1rmj s THR -13 Cb 0.15 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 73.15 1rmj s THR -13 CO -0.00 0.01 -0.07 0.71 -0.54 0.00 0.00 174.62 174.73 1rmj h THR -12 N 4.82 0.00 -0.33 3.99 1.35 -2.06 -3.39 112.91 117.29 1rmj h THR -12 Ca -0.31 -0.51 -0.11 0.00 -0.55 0.00 0.00 66.41 64.93 1rmj h THR -12 Cb 1.19 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.55 1rmj h THR -12 CO 0.18 0.00 0.14 -0.62 -0.25 0.00 0.00 175.52 174.97 1rmj n GLU -11 N -3.46 2.09 -0.03 4.72 4.71 -1.26 -4.34 120.64 123.07 1rmj n GLU -11 Ca -0.03 -1.29 0.03 0.00 -0.01 0.00 0.00 57.16 55.86 1rmj n GLU -11 Cb 0.11 -1.66 0.14 0.00 -1.01 0.00 0.00 31.44 29.02 1rmj n GLU -11 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1rmj n ASN -10 N 0.04 0.35 0.02 1.62 5.15 -1.26 -3.48 115.26 117.69 1rmj n ASN -10 Ca 0.18 -1.88 -0.07 0.00 -0.60 0.00 0.00 54.58 52.22 1rmj n ASN -10 Cb 0.82 -0.04 -0.05 0.00 -0.53 0.00 0.00 39.78 39.98 1rmj n ASN -10 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rmj h LEU -9 N 0.40 -0.13 -1.49 1.20 3.38 -1.91 -3.32 115.31 113.44 1rmj h LEU -9 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1rmj h LEU -9 Cb 0.09 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rmj h LEU -9 CO 0.00 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1rmj n TYR -8 N -4.85 0.23 0.02 1.13 4.19 -1.26 -4.06 117.16 112.57 1rmj n TYR -8 Ca -0.05 -0.12 -0.09 0.00 3.31 0.00 0.00 57.90 60.95 1rmj n TYR -8 Cb 0.19 0.00 -0.13 0.00 0.49 0.00 0.00 39.34 39.88 1rmj n TYR -8 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1rmj h PHE -7 N 3.09 0.07 -0.82 2.98 -1.00 -1.68 -3.32 116.94 116.26 1rmj h PHE -7 Ca 0.00 -0.05 -0.42 0.00 2.81 0.00 0.00 57.97 60.31 1rmj h PHE -7 Cb 0.67 -0.00 -0.25 0.00 3.61 0.00 0.00 35.95 39.98 1rmj h PHE -7 CO 0.12 1.06 0.54 0.00 -1.61 0.00 0.00 178.31 178.42 1rmj n GLN -6 N -3.23 2.06 0.00 1.51 10.64 -1.25 -4.81 117.38 122.30 1rmj n GLN -6 Ca -0.10 -2.48 0.00 0.00 -1.83 0.00 0.00 57.00 52.59 1rmj n GLN -6 Cb 1.00 -1.97 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 -0.84 1.03 2.58 2.61 0.00 -1.25 -4.85 105.19 104.47 1rmj n GLY -5 Ca 0.49 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj n ALA -4 N -3.00 6.33 -1.96 4.61 0.00 -1.26 -4.95 120.51 120.27 1rmj n ALA -4 Ca 0.00 -3.84 -0.26 0.00 0.00 0.00 0.00 53.44 49.35 1rmj n ALA -4 Cb 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 19.45 16.22 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 2.10 1.52 -0.15 0.00 0.23 -1.26 -4.89 119.30 116.85 1rmj s MET -3 Ca 0.54 -0.71 -0.03 0.00 -1.03 0.00 0.00 55.69 54.46 1rmj s MET -3 Cb 0.15 -2.16 -0.10 0.00 -1.53 0.00 0.00 34.83 31.19 1rmj s MET -3 CO -0.07 -1.66 1.90 0.41 -2.03 0.00 0.00 175.02 173.57 1rmj n GLY -2 N -3.11 2.09 3.64 3.16 0.00 0.19 -4.69 105.19 106.48 1rmj n GLY -2 Ca 0.13 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 3.11 -0.90 -4.63 1.61 7.64 -1.26 -4.58 113.62 114.60 1rmj n SER -1 Ca 0.23 -0.52 -0.27 0.00 1.01 0.00 0.00 58.87 59.32 1rmj n SER -1 Cb 0.35 -0.63 0.12 0.00 -1.01 0.00 0.00 64.21 63.04 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 -4.11 1.71 0.54 0.23 0.00 -1.25 -4.92 107.32 99.52 1rmj s GLY 1 Ca 0.13 -1.10 0.25 0.00 0.00 0.00 0.00 44.72 44.00 1rmj s GLY 1 CO 0.39 -0.54 2.13 -0.56 0.00 0.00 0.00 173.10 174.52 1rmj h PRO 2 N -0.99 0.00 0.15 2.90 0.13 -1.81 -2.09 132.00 130.28 1rmj h PRO 2 Ca -0.43 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 1rmj h PRO 2 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1rmj h PRO 2 CO 0.51 0.08 -1.35 0.00 -0.23 0.00 0.00 178.00 177.01 1rmj h ARG 4 N 0.09 0.29 -0.40 0.00 9.65 -0.66 0.62 114.38 123.98 1rmj h ARG 4 Ca -0.18 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.56 1rmj h ARG 4 Cb 2.02 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.52 1rmj h ARG 4 CO 0.21 0.19 -0.24 0.07 2.80 0.00 0.00 179.97 183.01 1rmj h ARG 5 N 0.30 0.86 -0.21 0.20 0.11 -1.64 -0.09 114.38 113.92 1rmj h ARG 5 Ca 0.21 -0.39 -0.02 0.00 0.10 0.00 0.00 59.98 59.88 1rmj h ARG 5 Cb 0.22 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 1rmj h ARG 5 CO -0.23 1.04 0.07 1.25 0.10 0.00 0.00 179.97 182.20 1rmj h HIS 6 N 0.67 0.33 -0.10 4.08 2.76 -1.23 -1.32 115.15 120.34 1rmj h HIS 6 Ca 0.08 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1rmj h HIS 6 Cb 0.80 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 1rmj h HIS 6 CO 0.06 0.39 -0.03 1.25 -1.30 0.00 0.00 177.93 178.30 1rmj h LEU 7 N 0.18 0.20 -0.52 0.26 5.85 0.25 -0.15 115.31 121.37 1rmj h LEU 7 Ca 0.07 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1rmj h LEU 7 Cb 0.21 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1rmj h LEU 7 CO -0.00 0.54 0.22 -0.78 -0.34 0.00 0.00 178.44 178.08 1rmj h ASP 8 N -0.14 0.26 -0.13 1.25 3.58 -0.98 0.89 116.42 121.16 1rmj h ASP 8 Ca 0.02 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1rmj h ASP 8 Cb 0.46 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1rmj h ASP 8 CO 0.01 0.18 -0.04 0.28 -2.88 0.00 0.00 179.24 176.79 1rmj h SER 9 N 0.42 0.25 -0.25 2.28 0.02 -1.21 -0.16 113.55 114.91 1rmj h SER 9 Ca 0.25 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1rmj h SER 9 Cb 0.23 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1rmj h SER 9 CO -0.22 0.57 0.07 0.58 -1.14 0.00 0.00 176.83 176.69 1rmj h VAL 10 N -0.07 1.21 -0.67 2.27 2.07 -0.55 0.38 116.25 120.88 1rmj h VAL 10 Ca 0.03 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1rmj h VAL 10 Cb 0.47 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1rmj h VAL 10 CO 0.01 0.22 0.19 0.17 0.02 0.00 0.00 177.57 178.18 1rmj h LEU 11 N 0.23 0.96 -0.21 2.57 8.10 0.79 0.96 115.31 128.72 1rmj h LEU 11 Ca 0.08 -0.18 -0.11 0.00 0.11 0.00 0.00 57.88 57.79 1rmj h LEU 11 Cb 0.26 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1rmj h LEU 11 CO -0.00 0.90 -0.28 1.56 -4.11 0.00 0.00 178.44 176.51 1rmj h GLN 12 N 0.99 0.56 -0.02 0.17 4.20 -0.80 -3.23 115.11 116.98 1rmj h GLN 12 Ca 0.22 -0.32 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 1rmj h GLN 12 Cb 0.30 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1rmj h GLN 12 CO -0.01 0.92 -0.62 1.96 -0.67 0.00 0.00 178.83 180.42 1rmj h GLN 13 N 0.23 0.08 -1.05 1.46 4.20 0.06 -3.29 115.11 116.80 1rmj h GLN 13 Ca 0.02 -0.06 0.28 0.00 0.06 0.00 0.00 58.65 58.96 1rmj h GLN 13 Cb 0.86 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.57 1rmj h GLN 13 CO 0.07 0.68 0.71 1.37 -0.67 0.00 0.00 178.83 180.98 1rmj h LEU 14 N 0.06 0.26 0.10 1.46 8.10 0.95 1.73 115.31 127.98 1rmj h LEU 14 Ca -0.01 0.05 -0.29 0.00 0.11 0.00 0.00 57.88 57.74 1rmj h LEU 14 Cb 1.11 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 41.35 1rmj h LEU 14 CO 0.09 0.06 -1.24 1.56 -4.11 0.00 0.00 178.44 174.79 1rmj h GLN 15 N 0.24 0.50 -0.11 0.17 1.08 -1.73 -2.23 115.11 113.02 1rmj h GLN 15 Ca 0.56 -0.71 -0.16 0.00 -1.45 0.00 0.00 58.65 56.89 1rmj h GLN 15 Cb 1.72 0.24 0.01 0.00 -0.05 0.00 0.00 27.48 29.40 1rmj h GLN 15 CO -0.17 1.31 -0.54 1.15 -0.95 0.00 0.00 178.83 179.63 1rmj h THR 16 N 0.20 1.35 -0.76 -0.54 2.02 -0.86 -3.15 112.91 111.17 1rmj h THR 16 Ca -0.17 -1.85 -0.49 0.00 0.77 0.00 0.00 66.41 64.67 1rmj h THR 16 Cb 1.92 2.16 -0.21 0.00 -1.74 0.00 0.00 68.15 70.28 1rmj h THR 16 CO 0.23 0.56 0.62 -0.62 0.37 0.00 0.00 175.52 176.68 1rmj n GLU 17 N -4.19 2.22 -0.21 6.66 1.02 0.56 -4.68 120.64 122.02 1rmj n GLU 17 Ca -0.08 -2.36 0.21 0.00 -0.02 0.00 0.00 57.16 54.90 1rmj n GLU 17 Cb 0.62 -1.93 0.56 0.00 -0.02 0.00 0.00 31.44 30.67 1rmj n GLU 17 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1rmj h VAL 18 N 1.07 0.66 -0.85 2.62 2.07 -1.36 -0.02 116.25 120.44 1rmj h VAL 18 Ca 0.43 -0.11 0.21 0.00 0.82 0.00 0.00 66.70 68.06 1rmj h VAL 18 Cb 0.84 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1rmj h VAL 18 CO 1.13 0.06 0.59 0.10 0.02 0.00 0.00 177.57 179.46 1rmj h TYR 19 N 0.32 0.30 0.03 1.57 -0.00 -1.86 1.97 116.97 119.30 1rmj h TYR 19 Ca 0.45 0.01 -0.23 0.00 -0.00 0.00 0.00 58.73 58.95 1rmj h TYR 19 Cb 1.24 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.85 1rmj h TYR 19 CO -0.00 0.08 -1.25 0.00 -0.00 0.00 0.00 178.16 176.99 1rmj h ARG 20 N 0.23 0.07 -0.85 0.10 -0.00 -1.40 -3.26 114.38 109.26 1rmj h ARG 20 Ca 0.43 -0.11 0.08 0.00 -0.50 0.00 0.00 59.98 59.88 1rmj h ARG 20 Cb 1.32 0.04 -0.06 0.00 0.00 0.00 0.00 29.97 31.28 1rmj h ARG 20 CO -0.10 1.05 0.55 0.78 0.00 0.00 0.00 179.97 182.26 1rmj h GLY 21 N -0.60 1.20 2.00 0.04 0.00 -0.11 0.79 103.07 106.39 1rmj h GLY 21 Ca -0.32 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1rmj h GLY 21 CO -0.12 0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.65 1rmj h ALA 22 N 1.56 1.00 0.00 3.60 0.00 0.29 -2.37 119.26 123.34 1rmj h ALA 22 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1rmj h ALA 22 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1rmj h ALA 22 CO -0.15 0.00 -1.04 1.04 0.00 0.00 0.00 179.25 179.10 1rmj n GLN 23 N -3.09 0.25 -2.63 0.00 6.02 0.44 -1.90 117.38 116.47 1rmj n GLN 23 Ca 0.02 0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 57.08 1rmj n GLN 23 Cb 0.38 -0.93 0.12 0.00 1.02 0.00 0.00 30.24 30.83 1rmj n GLN 23 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rmj n THR 24 N -3.76 0.00 -2.43 5.09 -2.24 0.25 -4.01 114.28 107.18 1rmj n THR 24 Ca -0.15 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.09 1rmj n THR 24 Cb 0.44 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 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 -3.61 4.25 -0.38 3.22 2.96 0.15 -4.16 118.68 121.11 1rmj s LEU 25 Ca 0.13 1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.54 1rmj s LEU 25 Cb 0.41 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.55 1rmj s LEU 25 CO -0.11 -0.66 1.43 -0.47 -1.32 0.00 0.00 176.35 175.22 1rmj s TYR 26 N 2.68 2.40 -0.24 5.38 5.04 -1.26 0.11 117.35 131.45 1rmj s TYR 26 Ca 0.56 0.69 -0.05 0.00 -2.44 0.00 0.00 57.07 55.83 1rmj s TYR 26 Cb -0.24 -4.23 -0.01 0.00 0.35 0.00 0.00 41.96 37.83 1rmj s TYR 26 CO 0.20 -2.04 0.01 0.08 -1.34 0.00 0.00 175.55 172.46 1rmj s VAL 27 N 5.35 3.70 0.13 3.14 1.01 0.79 -4.94 120.40 129.58 1rmj s VAL 27 Ca 0.62 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 1rmj s VAL 27 Cb -0.15 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 1rmj s VAL 27 CO 0.31 0.33 0.74 -2.16 0.00 0.00 0.00 175.10 174.32 1rmj s PRO 28 N 1.51 4.50 -0.03 2.72 0.04 -1.26 -2.45 135.00 140.03 1rmj s PRO 28 Ca 0.05 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 1rmj s PRO 28 Cb -0.15 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1rmj s PRO 28 CO -0.01 0.54 0.45 1.21 0.04 0.00 0.00 177.00 179.24 1rmj s ASN 29 N -0.98 6.80 0.08 6.66 2.47 0.18 -4.68 114.94 125.46 1rmj s ASN 29 Ca 0.35 0.95 0.06 0.00 0.42 0.00 0.00 52.86 54.63 1rmj s ASN 29 Cb -0.22 -2.28 -0.03 0.00 -1.45 0.00 0.00 41.25 37.27 1rmj s ASN 29 CO 0.25 0.20 -0.15 0.00 -3.72 0.00 0.00 177.10 173.68 1rmj s ASP 31 N -1.76 4.79 0.64 0.00 -4.77 -1.03 -4.83 116.67 109.72 1rmj s ASP 31 Ca -0.01 -0.39 0.24 0.00 -3.30 0.00 0.00 52.55 49.09 1rmj s ASP 31 Cb -0.10 -0.18 1.22 0.00 -1.09 0.00 0.00 42.92 42.77 1rmj s ASP 31 CO 0.03 -1.52 1.68 0.45 0.70 0.00 0.00 175.17 176.51 1rmj h HIS 32 N -0.17 0.00 -0.12 2.11 3.86 -1.92 0.74 115.15 119.64 1rmj h HIS 32 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1rmj h HIS 32 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1rmj h HIS 32 CO 0.10 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.43 1rmj n ARG 33 N -3.03 1.37 -0.81 2.45 5.12 -1.26 0.57 116.66 121.07 1rmj n ARG 33 Ca 0.03 -0.57 0.00 0.00 -1.93 0.00 0.00 57.85 55.38 1rmj n ARG 33 Cb 0.66 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.70 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 0.88 0.32 3.92 -0.13 0.00 0.26 -3.75 105.19 106.68 1rmj n GLY 34 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.87 3.07 -1.22 1.61 0.08 -1.26 0.88 117.98 119.27 1rmj s PHE 35 Ca 0.00 0.61 -0.19 0.00 0.12 0.00 0.00 56.93 57.47 1rmj s PHE 35 Cb 0.00 -3.07 0.07 0.00 -0.57 0.00 0.00 43.02 39.45 1rmj s PHE 35 CO 0.00 -1.24 1.64 0.71 -0.10 0.00 0.00 175.22 176.23 1rmj s TYR 36 N -3.22 2.78 -0.03 0.36 2.02 -1.22 -2.46 117.35 115.59 1rmj s TYR 36 Ca 0.58 -1.48 -0.01 0.00 -0.37 0.00 0.00 57.07 55.79 1rmj s TYR 36 Cb -0.11 -4.71 -0.01 0.00 -0.40 0.00 0.00 41.96 36.74 1rmj s TYR 36 CO 0.46 -1.81 0.10 -0.09 -1.57 0.00 0.00 175.55 172.64 1rmj h ARG 37 N 8.07 -0.03 0.00 -0.62 9.65 -1.71 -3.11 114.38 126.63 1rmj h ARG 37 Ca 0.38 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 58.83 1rmj h ARG 37 Cb 0.90 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.43 1rmj h ARG 37 CO 1.43 -0.02 -2.35 1.17 2.80 0.00 0.00 179.97 183.00 1rmj n LYS 38 N -2.89 0.59 -4.64 0.20 4.81 -1.26 -4.15 118.16 110.82 1rmj n LYS 38 Ca -0.00 0.30 -0.30 0.00 -0.87 0.00 0.00 58.31 57.44 1rmj n LYS 38 Cb 0.01 -1.53 -0.13 0.00 0.02 0.00 0.00 35.03 33.41 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 -2.49 1.85 -0.05 1.64 3.52 -1.26 -0.36 118.95 121.79 1rmj s ARG 39 Ca -0.37 -1.10 -0.02 0.00 -0.13 0.00 0.00 55.73 54.10 1rmj s ARG 39 Cb 0.14 -2.08 0.03 0.00 -1.56 0.00 0.00 34.95 31.48 1rmj s ARG 39 CO 0.50 0.51 0.08 -0.65 -0.81 0.00 0.00 175.30 174.94 1rmj s GLN 40 N -1.58 -0.03 -0.01 5.12 -1.52 -0.74 0.47 119.66 121.37 1rmj s GLN 40 Ca 0.14 0.39 -0.07 0.00 -1.95 0.00 0.00 55.36 53.87 1rmj s GLN 40 Cb -0.10 -0.38 0.00 0.00 -0.22 0.00 0.00 33.01 32.31 1rmj s GLN 40 CO 0.05 -0.28 0.13 0.00 -0.25 0.00 0.00 175.29 174.94 1rmj s ARG 42 N -1.14 4.18 0.14 0.00 1.81 -0.80 -0.15 118.95 123.00 1rmj s ARG 42 Ca -0.12 0.61 0.07 0.00 -1.72 0.00 0.00 55.73 54.57 1rmj s ARG 42 Cb -0.07 -3.60 -0.04 0.00 -0.45 0.00 0.00 34.95 30.79 1rmj s ARG 42 CO 0.01 -0.30 -0.05 -1.12 -0.68 0.00 0.00 175.30 173.16 1rmj s SER 43 N 1.28 4.59 0.01 0.23 0.01 0.29 -3.06 113.70 117.05 1rmj s SER 43 Ca 0.28 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1rmj s SER 43 Cb -0.16 -0.93 -0.01 0.00 0.21 0.00 0.00 66.02 65.13 1rmj s SER 43 CO 0.10 0.14 -0.08 -0.44 0.41 0.00 0.00 173.24 173.37 1rmj s SER 44 N -2.55 0.87 0.22 2.44 0.01 -1.23 0.32 113.70 113.79 1rmj s SER 44 Ca 0.24 -0.26 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 1rmj s SER 44 Cb -0.10 -0.06 0.29 0.00 0.21 0.00 0.00 66.02 66.36 1rmj s SER 44 CO 0.16 0.00 1.81 1.56 0.41 0.00 0.00 173.24 177.19 1rmj h GLN 45 N 5.51 0.71 -5.78 12.44 4.20 -0.82 -3.37 115.11 128.00 1rmj h GLN 45 Ca -0.31 -0.04 -0.58 0.00 0.06 0.00 0.00 58.65 57.77 1rmj h GLN 45 Cb 1.19 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.73 1rmj h GLN 45 CO 0.47 0.47 0.08 0.20 -0.67 0.00 0.00 178.83 179.38 1rmj s GLY 46 N -3.10 2.26 -1.35 3.46 0.00 -1.26 -4.94 107.32 102.39 1rmj s GLY 46 Ca -0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 44.72 44.35 1rmj s GLY 46 CO 0.77 1.20 2.56 0.61 0.00 0.00 0.00 173.10 178.23 1rmj n GLN 47 N 4.49 2.99 -0.07 2.90 10.64 -1.26 -4.40 117.38 132.67 1rmj n GLN 47 Ca -0.02 -2.03 -0.13 0.00 -1.83 0.00 0.00 57.00 52.99 1rmj n GLN 47 Cb 0.50 -2.78 -0.11 0.00 -0.86 0.00 0.00 30.24 26.99 1rmj n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1rmj h ARG 48 N 5.70 0.00 0.00 2.61 3.08 -1.92 -3.49 114.38 120.36 1rmj h ARG 48 Ca 0.70 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.75 1rmj h ARG 48 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1rmj h ARG 48 CO 1.72 0.88 0.00 0.54 -1.07 0.00 0.00 179.97 182.04 1rmj n ARG 49 N -4.61 0.03 0.00 0.04 5.12 -1.26 -5.15 116.66 110.82 1rmj n ARG 49 Ca -0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 1rmj n ARG 49 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 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 0.04 0.03 3.89 -0.13 0.00 -1.26 -4.68 105.19 103.09 1rmj n GLY 50 Ca 0.00 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 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 0.52 3.26 0.12 1.61 0.04 -1.17 -4.19 135.00 135.18 1rmj s PRO 51 Ca 0.00 -0.62 -0.06 0.00 0.04 0.00 0.00 61.00 60.36 1rmj s PRO 51 Cb 0.00 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 1rmj s PRO 51 CO 0.00 0.54 0.37 0.00 0.04 0.00 0.00 177.00 177.95 1rmj s TRP 53 N -1.58 -0.62 0.40 0.00 -2.14 -0.97 -5.00 118.94 109.04 1rmj s TRP 53 Ca 0.38 0.98 -0.18 0.00 2.66 0.00 0.00 56.10 59.95 1rmj s TRP 53 Cb -0.13 0.42 -0.10 0.00 -3.10 0.00 0.00 33.47 30.57 1rmj s TRP 53 CO 0.23 -0.63 0.87 0.00 -2.66 0.00 0.00 176.95 174.75 1rmj s VAL 55 N -2.18 0.34 0.75 0.00 -7.23 0.51 -0.65 120.40 111.94 1rmj s VAL 55 Ca 0.58 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1rmj s VAL 55 Cb -0.10 -2.41 0.14 0.00 0.56 0.00 0.00 36.38 34.58 1rmj s VAL 55 CO 0.18 -0.16 1.03 1.51 -0.31 0.00 0.00 175.10 177.35 1rmj s ASP 56 N -3.20 4.19 0.59 4.85 1.47 -0.61 -4.34 116.67 119.61 1rmj s ASP 56 Ca 0.33 -0.41 0.30 0.00 1.18 0.00 0.00 52.55 53.95 1rmj s ASP 56 Cb 0.07 0.11 1.35 0.00 -0.34 0.00 0.00 42.92 44.12 1rmj s ASP 56 CO 0.09 -1.98 1.71 0.08 0.68 0.00 0.00 175.17 175.76 1rmj h ARG 57 N -0.63 0.00 0.00 2.11 0.11 -1.72 0.50 114.38 114.74 1rmj h ARG 57 Ca -0.36 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.71 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 0.38 0.00 -0.26 0.52 0.10 0.00 0.00 179.97 180.71 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.91 -3.22 114.93 112.74 1rmj h MET 58 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1rmj h MET 58 Cb 1.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.56 1rmj h MET 58 CO -0.00 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1rmj n GLY 59 N 1.13 1.06 3.81 8.32 0.00 0.17 -4.64 105.19 115.04 1rmj n GLY 59 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.82 4.36 0.11 1.61 2.20 -1.26 -4.74 119.74 121.20 1rmj s LYS 60 Ca 0.00 1.06 -0.31 0.00 -0.36 0.00 0.00 55.97 56.36 1rmj s LYS 60 Cb 0.00 -2.71 -0.09 0.00 -1.51 0.00 0.00 37.83 33.52 1rmj s LYS 60 CO 0.00 0.27 1.63 -1.12 -0.36 0.00 0.00 175.35 175.77 1rmj s SER 61 N -1.77 6.59 -0.47 1.43 0.01 -1.26 -1.58 113.70 116.65 1rmj s SER 61 Ca 0.49 2.55 -0.20 0.00 1.31 0.00 0.00 55.95 60.10 1rmj s SER 61 Cb -0.16 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1rmj s SER 61 CO 0.21 -0.87 0.64 -0.76 0.41 0.00 0.00 173.24 172.87 1rmj s LEU 62 N 2.09 4.68 0.00 2.44 1.43 0.18 -4.88 118.68 124.62 1rmj s LEU 62 Ca 0.73 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1rmj s LEU 62 Cb -0.42 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1rmj s LEU 62 CO 0.32 -0.84 0.00 -0.81 0.23 0.00 0.00 176.35 175.25 1rmj n PRO 63 N 6.26 0.00 -3.22 1.29 -0.04 -1.26 -4.77 135.00 133.25 1rmj n PRO 63 Ca -0.04 0.28 -0.24 0.00 -0.04 0.00 0.00 63.50 63.46 1rmj n PRO 63 Cb 0.47 -0.77 -0.06 0.00 -0.04 0.00 0.00 33.50 33.10 1rmj n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rmj n GLY 64 N 2.18 3.53 3.63 0.55 0.00 -1.26 -4.97 105.19 108.85 1rmj n GLY 64 Ca 0.00 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.76 6.29 0.00 1.61 1.04 -1.23 -4.86 113.70 114.78 1rmj s SER 65 Ca 0.38 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1rmj s SER 65 Cb 0.20 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1rmj s SER 65 CO -0.09 -1.33 0.69 -0.81 0.98 0.00 0.00 173.24 172.68 1rmj n PRO 66 N 7.79 0.70 0.25 4.02 -0.04 -1.26 -3.83 135.00 142.63 1rmj n PRO 66 Ca 0.20 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1rmj n PRO 66 Cb 0.45 -1.15 0.60 0.00 -0.04 0.00 0.00 33.50 33.36 1rmj n PRO 66 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1rmj h ASP 67 N 0.60 0.00 0.00 3.54 3.58 -1.89 -3.46 116.42 118.79 1rmj h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rmj h ASP 67 Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1rmj h ASP 67 CO 0.00 0.14 0.00 0.61 -2.88 0.00 0.00 179.24 177.11 1rmj n GLY 68 N -0.09 1.70 3.56 -0.78 0.00 -1.26 -4.90 105.19 103.43 1rmj n GLY 68 Ca -0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 1.04 0.58 1.61 2.47 -1.26 -4.71 114.94 114.68 1rmj s ASN 69 Ca 0.00 0.89 0.34 0.00 0.42 0.00 0.00 52.86 54.51 1rmj s ASN 69 Cb 0.00 -1.32 1.30 0.00 -1.45 0.00 0.00 41.25 39.78 1rmj s ASN 69 CO 0.00 -4.08 1.53 1.23 -3.72 0.00 0.00 177.10 172.07 1rmj h GLY 70 N -2.54 0.00 0.77 1.21 0.00 -1.82 0.73 103.07 101.42 1rmj h GLY 70 Ca -0.49 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.92 1rmj h GLY 70 CO 0.41 0.00 0.53 1.76 0.00 0.00 0.00 176.54 179.24 1rmj h SER 71 N 0.00 0.00 -0.86 0.19 0.02 -1.81 0.50 113.55 111.58 1rmj h SER 71 Ca 0.57 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.55 1rmj h SER 71 Cb 2.78 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 65.26 1rmj h SER 71 CO -0.01 0.00 0.56 0.77 -1.14 0.00 0.00 176.83 177.01 1rmj h SER 72 N 0.00 0.93 0.00 3.07 4.64 -0.95 -3.38 113.55 117.87 1rmj h SER 72 Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1rmj h SER 72 Cb 1.20 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1rmj h SER 72 CO -0.00 0.64 -0.41 -1.54 -0.87 0.00 0.00 176.83 174.65 1rmj n SER 73 N -4.54 1.25 -3.67 4.97 3.41 0.63 -3.58 113.62 112.08 1rmj n SER 73 Ca 0.11 0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 58.77 1rmj n SER 73 Cb 0.08 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 1rmj n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rmj h PRO 75 N 3.29 -0.33 -3.03 0.00 0.13 -1.78 -3.23 132.00 127.06 1rmj h PRO 75 Ca -0.30 0.02 -0.75 0.00 -0.87 0.00 0.00 66.00 64.10 1rmj h PRO 75 Cb 1.19 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1rmj h PRO 75 CO 0.42 -0.22 2.10 0.25 -0.23 0.00 0.00 178.00 180.32 1rmj n THR 76 N -2.98 4.86 0.00 1.56 -2.24 -1.26 -4.32 114.28 109.89 1rmj n THR 76 Ca -0.04 -4.50 0.00 0.00 -2.27 0.00 0.00 64.05 57.24 1rmj n THR 76 Cb 0.14 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 66.17 1rmj n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rmj n GLY 77 N 2.15 -1.59 3.81 3.38 0.00 -1.22 -5.06 105.19 106.66 1rmj n GLY 77 Ca 0.49 0.74 -0.30 0.00 0.00 0.00 0.00 46.02 46.95 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 2.32 -0.36 1.61 0.01 -1.26 -4.06 113.70 111.97 1rmj s SER 78 Ca 0.00 0.40 0.14 0.00 1.31 0.00 0.00 55.95 57.80 1rmj s SER 78 Cb 0.00 -0.52 0.44 0.00 0.21 0.00 0.00 66.02 66.15 1rmj s SER 78 CO 0.00 -3.23 0.97 -1.20 0.41 0.00 0.00 173.24 170.19 1rmj n SER 79 N -4.13 2.22 0.00 2.44 7.64 -1.26 -5.04 113.62 115.49 1rmj n SER 79 Ca 0.14 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1rmj n SER 79 Cb 0.59 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64