#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfq h HIS 2 N 0.00 -0.02 -4.43 6.34 6.17 -1.96 -3.45 115.15 117.80 1lfq h HIS 2 Ca 0.00 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.09 1lfq h HIS 2 Cb 0.00 0.01 -0.09 0.00 2.52 0.00 0.00 27.41 29.85 1lfq h HIS 2 CO 0.00 -0.01 -1.16 1.28 0.71 0.00 0.00 177.93 178.75 1lfq n LEU 3 N -2.23 -5.17 -4.76 0.26 4.77 -1.26 -5.00 117.00 103.60 1lfq n LEU 3 Ca -0.00 1.82 -0.31 0.00 -0.03 0.00 0.00 56.01 57.48 1lfq n LEU 3 Cb 0.01 -2.73 0.10 0.00 -2.33 0.00 0.00 43.42 38.46 1lfq n LEU 3 CO 0.01 -2.96 0.70 0.42 -1.33 0.00 0.00 177.39 174.22 1lfq s THR 4 N -0.49 3.24 0.59 -5.08 -4.23 -1.26 -4.75 115.64 103.66 1lfq s THR 4 Ca -0.19 0.41 0.30 0.00 -1.18 0.00 0.00 61.69 61.02 1lfq s THR 4 Cb 0.01 -2.86 0.36 0.00 1.34 0.00 0.00 72.50 71.35 1lfq s THR 4 CO 0.52 -0.52 2.23 1.55 -0.54 0.00 0.00 174.62 177.86 1lfq h PRO 5 N -1.16 0.00 0.00 3.99 0.13 -1.99 0.84 132.00 133.82 1lfq h PRO 5 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1lfq h PRO 5 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1lfq h PRO 5 CO 0.51 0.00 -1.02 -0.85 -0.23 0.00 0.00 178.00 176.40 1lfq n GLU 6 N -3.82 0.55 0.12 0.86 0.28 -1.26 -2.33 120.64 115.04 1lfq n GLU 6 Ca -0.02 0.09 -0.02 0.00 -0.16 0.00 0.00 57.16 57.05 1lfq n GLU 6 Cb 0.13 -1.78 0.20 0.00 1.43 0.00 0.00 31.44 31.42 1lfq n GLU 6 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1lfq h GLU 7 N 0.00 0.10 -0.04 3.44 5.08 -1.52 -1.93 114.58 119.71 1lfq h GLU 7 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1lfq h GLU 7 Cb 0.95 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1lfq h GLU 7 CO 0.00 0.61 0.01 0.87 -1.00 0.00 0.00 179.01 179.51 1lfq h LYS 8 N 0.08 0.06 -0.54 2.33 1.79 -0.84 -1.96 116.57 117.49 1lfq h LYS 8 Ca -0.00 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1lfq h LYS 8 Cb 0.97 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.56 1lfq h LYS 8 CO 0.08 0.21 0.24 0.66 -1.08 0.00 0.00 179.45 179.56 1lfq h SER 9 N -0.10 0.31 0.00 0.86 4.64 -1.05 -0.59 113.55 117.61 1lfq h SER 9 Ca 0.01 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1lfq h SER 9 Cb 0.17 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1lfq h SER 9 CO -0.00 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 1lfq n ALA 10 N -2.38 -0.29 -0.23 5.18 0.00 -0.76 -1.58 120.51 120.45 1lfq n ALA 10 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1lfq n ALA 10 Cb 0.18 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 1lfq n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lfq h VAL 11 N 0.00 0.00 -0.01 0.00 2.07 -1.26 -2.49 116.25 114.56 1lfq h VAL 11 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1lfq h VAL 11 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1lfq h VAL 11 CO 0.00 0.00 -0.31 0.74 0.02 0.00 0.00 177.57 178.02 1lfq h THR 12 N -0.24 0.00 -1.02 2.57 2.02 -1.12 -0.68 112.91 114.45 1lfq h THR 12 Ca 0.10 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.53 1lfq h THR 12 Cb 0.49 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 1lfq h THR 12 CO -0.68 0.00 0.66 0.00 0.37 0.00 0.00 175.52 175.87 1lfq h ALA 13 N -0.87 2.24 0.05 6.16 0.00 -1.23 -1.50 119.26 124.11 1lfq h ALA 13 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lfq h ALA 13 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1lfq h ALA 13 CO -0.21 -0.62 -0.02 1.25 0.00 0.00 0.00 179.25 179.65 1lfq h LEU 14 N 0.40 -0.05 -0.52 0.00 6.46 -0.95 -3.32 115.31 117.32 1lfq h LEU 14 Ca 0.57 -0.50 0.10 0.00 -0.12 0.00 0.00 57.88 57.93 1lfq h LEU 14 Cb 1.45 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 41.29 1lfq h LEU 14 CO -0.27 0.50 -0.21 -0.25 -0.62 0.00 0.00 178.44 177.59 1lfq h TRP 15 N -0.63 -0.52 0.00 1.25 2.91 -0.08 -0.28 115.95 118.60 1lfq h TRP 15 Ca -0.01 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1lfq h TRP 15 Cb 0.55 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.51 1lfq h TRP 15 CO 0.11 -0.30 0.06 0.41 -1.03 0.00 0.00 178.44 177.69 1lfq n GLY 16 N -1.41 -0.11 0.05 2.65 0.00 -1.04 -0.77 105.19 104.56 1lfq n GLY 16 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1lfq n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lfq n LYS 17 N -1.00 1.54 -1.63 1.61 5.02 -0.12 -5.01 118.16 118.57 1lfq n LYS 17 Ca 0.00 -0.03 -0.51 0.00 -2.02 0.00 0.00 58.31 55.74 1lfq n LYS 17 Cb 0.06 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1lfq n LYS 17 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1lfq n VAL 18 N -2.40 0.08 -2.10 -0.18 0.31 0.05 -4.82 118.33 109.27 1lfq n VAL 18 Ca -0.18 -0.01 -0.28 0.00 -0.01 0.00 0.00 64.34 63.85 1lfq n VAL 18 Cb 0.82 -1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 32.61 1lfq n VAL 18 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1lfq s ASN 19 N 1.26 5.29 0.00 4.52 3.84 -1.26 -4.77 114.94 123.81 1lfq s ASN 19 Ca 0.86 -0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.15 1lfq s ASN 19 Cb -0.90 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.24 1lfq s ASN 19 CO 0.48 -2.62 0.27 0.55 -2.79 0.00 0.00 177.10 172.99 1lfq n VAL 20 N 7.77 0.00 -0.10 -5.21 3.14 -1.26 -1.83 118.33 120.84 1lfq n VAL 20 Ca 0.40 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.55 1lfq n VAL 20 Cb 0.47 -0.79 -0.07 0.00 -1.06 0.00 0.00 33.84 32.39 1lfq n VAL 20 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1lfq n ASP 21 N -0.75 1.46 0.04 6.55 8.00 -1.26 -4.62 116.55 125.96 1lfq n ASP 21 Ca 0.00 0.25 -0.20 0.00 0.71 0.00 0.00 54.79 55.55 1lfq n ASP 21 Cb 0.00 -0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.35 1lfq n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1lfq h GLU 22 N -0.74 0.28 -0.73 -1.24 4.39 -1.87 -3.38 114.58 111.29 1lfq h GLU 22 Ca -0.52 -0.48 0.13 0.00 0.34 0.00 0.00 59.36 58.82 1lfq h GLU 22 Cb 1.45 0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 30.19 1lfq h GLU 22 CO -0.32 1.23 0.29 0.28 -1.16 0.00 0.00 179.01 179.34 1lfq h VAL 23 N -0.37 0.69 -0.07 3.13 2.07 -1.66 -0.08 116.25 119.96 1lfq h VAL 23 Ca -0.18 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1lfq h VAL 23 Cb 1.67 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1lfq h VAL 23 CO 0.12 0.08 0.05 1.23 0.02 0.00 0.00 177.57 179.08 1lfq h GLY 24 N 0.45 0.06 1.61 2.17 0.00 -1.77 -2.05 103.07 103.54 1lfq h GLY 24 Ca 0.39 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.49 1lfq h GLY 24 CO -0.38 0.02 -1.14 -1.33 0.00 0.00 0.00 176.54 173.71 1lfq h GLY 25 N 0.06 0.00 1.64 4.60 0.00 -1.24 -3.16 103.07 104.97 1lfq h GLY 25 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1lfq h GLY 25 CO -0.00 0.00 -0.13 0.83 0.00 0.00 0.00 176.54 177.24 1lfq h GLU 26 N 0.00 0.44 0.15 4.80 4.39 -0.54 -2.39 114.58 121.43 1lfq h GLU 26 Ca -0.10 -0.12 -0.23 0.00 0.34 0.00 0.00 59.36 59.25 1lfq h GLU 26 Cb 1.74 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 30.36 1lfq h GLU 26 CO 0.09 0.57 -1.08 0.00 -1.16 0.00 0.00 179.01 177.43 1lfq h ALA 27 N 1.46 -0.03 -0.24 3.43 0.00 -1.52 -2.80 119.26 119.56 1lfq h ALA 27 Ca 0.08 -0.83 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1lfq h ALA 27 Cb 0.48 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1lfq h ALA 27 CO 0.03 0.55 -0.21 1.25 0.00 0.00 0.00 179.25 180.87 1lfq h LEU 28 N -0.27 0.43 -0.07 0.00 7.12 -1.59 -2.30 115.31 118.63 1lfq h LEU 28 Ca -0.20 -0.13 -0.03 0.00 0.13 0.00 0.00 57.88 57.65 1lfq h LEU 28 Cb 1.76 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1lfq h LEU 28 CO 0.15 0.65 -0.06 1.23 -0.13 0.00 0.00 178.44 180.28 1lfq h GLY 29 N 0.98 0.18 2.00 3.75 0.00 -1.54 -2.70 103.07 105.74 1lfq h GLY 29 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1lfq h GLY 29 CO 0.04 0.16 -0.04 3.21 0.00 0.00 0.00 176.54 179.91 1lfq h ARG 30 N -0.26 0.00 0.18 4.80 3.08 -1.45 -1.15 114.38 119.58 1lfq h ARG 30 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1lfq h ARG 30 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1lfq h ARG 30 CO 0.02 0.04 -0.08 1.25 -1.07 0.00 0.00 179.97 180.12 1lfq h LEU 31 N 0.00 -0.20 -1.62 3.04 5.85 -1.18 0.31 115.31 121.51 1lfq h LEU 31 Ca -0.00 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1lfq h LEU 31 Cb 0.27 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1lfq h LEU 31 CO 0.01 0.13 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.96 1lfq h LEU 32 N -0.55 0.00 0.18 2.25 3.38 -1.13 0.59 115.31 120.03 1lfq h LEU 32 Ca -0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 1lfq h LEU 32 Cb 0.42 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.19 1lfq h LEU 32 CO 0.04 0.21 -1.06 0.58 0.09 0.00 0.00 178.44 178.30 1lfq h VAL 33 N 0.00 1.42 0.00 1.22 2.07 -1.07 -3.23 116.25 116.67 1lfq h VAL 33 Ca -0.00 -2.58 -0.26 0.00 0.82 0.00 0.00 66.70 64.68 1lfq h VAL 33 Cb 0.40 3.11 -0.04 0.00 -1.52 0.00 0.00 31.29 33.24 1lfq h VAL 33 CO 0.03 0.75 -1.53 0.58 0.02 0.00 0.00 177.57 177.42 1lfq h VAL 34 N -0.16 0.97 -2.19 2.57 2.07 -0.22 -3.39 116.25 115.91 1lfq h VAL 34 Ca -0.18 -2.76 -0.59 0.00 0.82 0.00 0.00 66.70 63.98 1lfq h VAL 34 Cb 1.83 2.46 -0.42 0.00 -1.52 0.00 0.00 31.29 33.65 1lfq h VAL 34 CO 0.20 0.55 -0.64 -1.22 0.02 0.00 0.00 177.57 176.48 1lfq n TYR 35 N -3.09 3.40 -0.20 1.57 4.01 0.20 -4.98 117.16 118.07 1lfq n TYR 35 Ca -0.13 -4.09 0.05 0.00 -0.16 0.00 0.00 57.90 53.57 1lfq n TYR 35 Cb 1.01 -0.53 0.11 0.00 -0.31 0.00 0.00 39.34 39.61 1lfq n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1lfq n PRO 36 N 0.73 -0.05 0.17 -0.72 -0.02 -1.22 -0.90 135.00 133.00 1lfq n PRO 36 Ca 0.29 0.87 0.18 0.00 -2.02 0.00 0.00 63.50 62.82 1lfq n PRO 36 Cb 0.42 -1.33 0.71 0.00 -0.02 0.00 0.00 33.50 33.28 1lfq n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1lfq h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.92 0.30 115.95 120.42 1lfq h TRP 37 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 59.28 1lfq h TRP 37 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.75 1lfq h TRP 37 CO -0.38 0.00 -0.00 1.79 0.09 0.00 0.00 178.44 179.93 1lfq h THR 38 N 0.00 0.01 -0.02 0.12 1.35 -1.35 -2.52 112.91 110.51 1lfq h THR 38 Ca 0.13 -0.47 0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1lfq h THR 38 Cb 1.10 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1lfq h THR 38 CO -0.00 0.00 0.02 1.56 -0.25 0.00 0.00 175.52 176.85 1lfq h GLN 39 N 0.00 0.00 -1.17 4.72 4.20 -0.59 -2.08 115.11 120.19 1lfq h GLN 39 Ca -0.00 0.00 0.33 0.00 0.06 0.00 0.00 58.65 59.04 1lfq h GLN 39 Cb 0.47 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.17 1lfq h GLN 39 CO 0.00 0.00 0.80 -0.09 -0.67 0.00 0.00 178.83 178.87 1lfq h ARG 40 N 0.00 0.17 -0.00 1.46 2.43 -1.62 0.10 114.38 116.92 1lfq h ARG 40 Ca 0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1lfq h ARG 40 Cb 0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1lfq h ARG 40 CO -0.00 0.11 -0.36 1.19 -1.51 0.00 0.00 179.97 179.40 1lfq n PHE 41 N -4.42 0.00 -2.49 2.20 3.01 -0.78 -4.28 117.46 110.70 1lfq n PHE 41 Ca 0.28 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.56 1lfq n PHE 41 Cb 1.15 -0.28 0.02 0.00 -0.01 0.00 0.00 39.48 40.36 1lfq n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1lfq n PHE 42 N -1.37 2.33 0.13 1.38 3.01 0.35 -4.79 117.46 118.51 1lfq n PHE 42 Ca 0.07 -2.70 -0.01 0.00 1.01 0.00 0.00 57.45 55.82 1lfq n PHE 42 Cb 0.33 -0.24 0.22 0.00 -0.01 0.00 0.00 39.48 39.79 1lfq n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1lfq h GLU 43 N 2.62 0.10 0.00 -1.08 5.08 -1.73 -2.15 114.58 117.42 1lfq h GLU 43 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1lfq h GLU 43 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1lfq h GLU 43 CO 0.63 0.58 0.00 -1.13 -1.00 0.00 0.00 179.01 178.09 1lfq n SER 44 N -3.95 0.00 -0.36 1.42 3.41 -1.26 -2.69 113.62 110.18 1lfq n SER 44 Ca -0.02 -0.73 0.14 0.00 -0.26 0.00 0.00 58.87 58.01 1lfq n SER 44 Cb 0.53 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 65.04 1lfq n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1lfq n PHE 45 N -0.96 0.00 -1.30 7.33 0.99 -0.81 -5.05 117.46 117.66 1lfq n PHE 45 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1lfq n PHE 45 Cb 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.52 1lfq n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lfq n GLY 46 N 1.19 -1.79 3.60 1.37 0.00 -1.10 -4.78 105.19 103.69 1lfq n GLY 46 Ca 0.18 -1.79 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 1lfq n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lfq n ASP 47 N 0.05 3.33 -1.63 1.61 4.64 -1.26 -4.83 116.55 118.46 1lfq n ASP 47 Ca 0.00 0.51 -0.10 0.00 -1.38 0.00 0.00 54.79 53.82 1lfq n ASP 47 Cb 0.00 -1.48 0.08 0.00 -1.04 0.00 0.00 41.12 38.69 1lfq n ASP 47 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1lfq n LEU 48 N 9.70 3.55 0.06 -2.67 4.77 -1.26 -4.41 117.00 126.74 1lfq n LEU 48 Ca 0.28 -4.08 -0.13 0.00 -0.03 0.00 0.00 56.01 52.05 1lfq n LEU 48 Cb 0.38 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1lfq n LEU 48 CO 0.69 1.65 0.23 -1.28 -1.33 0.00 0.00 177.39 177.34 1lfq h SER 49 N 1.77 0.55 -2.90 -1.43 0.87 -1.92 -3.46 113.55 107.03 1lfq h SER 49 Ca 0.15 -0.42 -0.50 0.00 -1.23 0.00 0.00 61.79 59.79 1lfq h SER 49 Cb 1.36 -0.17 -0.14 0.00 -0.44 0.00 0.00 62.40 63.02 1lfq h SER 49 CO 0.40 1.20 -0.69 0.42 -0.53 0.00 0.00 176.83 177.64 1lfq s THR 50 N -3.38 1.71 0.41 2.23 -4.23 -1.26 -4.99 115.64 106.13 1lfq s THR 50 Ca -0.06 -2.15 0.37 0.00 -1.18 0.00 0.00 61.69 58.67 1lfq s THR 50 Cb 0.09 -2.40 0.40 0.00 1.34 0.00 0.00 72.50 71.92 1lfq s THR 50 CO 0.86 -0.34 2.17 1.55 -0.54 0.00 0.00 174.62 178.33 1lfq h PRO 51 N 2.30 0.00 0.16 3.99 0.13 -1.97 -0.62 132.00 135.99 1lfq h PRO 51 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1lfq h PRO 51 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1lfq h PRO 51 CO 0.66 0.03 -0.08 -0.44 -0.23 0.00 0.00 178.00 177.94 1lfq h ASP 52 N 0.00 -0.18 -0.98 1.44 3.32 -1.97 0.38 116.42 118.43 1lfq h ASP 52 Ca -0.00 -0.31 0.17 0.00 0.02 0.00 0.00 57.03 56.91 1lfq h ASP 52 Cb 0.26 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 1lfq h ASP 52 CO 0.00 0.39 0.61 0.00 -1.72 0.00 0.00 179.24 178.53 1lfq h ALA 53 N -0.50 1.73 0.00 3.45 0.00 -1.79 0.58 119.26 122.74 1lfq h ALA 53 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1lfq h ALA 53 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lfq h ALA 53 CO 0.04 -0.05 -0.00 0.28 0.00 0.00 0.00 179.25 179.52 1lfq h VAL 54 N 0.76 1.51 0.00 0.00 2.07 -1.15 -1.23 116.25 118.22 1lfq h VAL 54 Ca 0.53 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1lfq h VAL 54 Cb 0.82 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1lfq h VAL 54 CO -0.31 0.40 0.00 0.23 0.02 0.00 0.00 177.57 177.91 1lfq n MET 55 N -4.78 0.15 -0.00 1.57 2.00 0.12 -2.19 117.12 114.00 1lfq n MET 55 Ca -0.09 0.53 0.08 0.00 0.00 0.00 0.00 57.70 58.23 1lfq n MET 55 Cb 0.32 -1.89 -0.12 0.00 0.00 0.00 0.00 33.22 31.53 1lfq n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1lfq n GLY 56 N -0.72 -0.69 3.67 3.03 0.00 0.14 -4.98 105.19 105.64 1lfq n GLY 56 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1lfq n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lfq s ASN 57 N -3.33 6.50 0.29 1.61 3.84 -0.47 -4.91 114.94 118.46 1lfq s ASN 57 Ca -0.01 2.60 -0.02 0.00 0.21 0.00 0.00 52.86 55.65 1lfq s ASN 57 Cb 0.12 -2.54 0.41 0.00 -0.55 0.00 0.00 41.25 38.69 1lfq s ASN 57 CO 0.70 -1.00 1.89 -0.65 -2.79 0.00 0.00 177.10 175.25 1lfq h PRO 58 N 9.61 0.96 -1.00 0.43 0.11 -1.90 -2.34 132.00 137.87 1lfq h PRO 58 Ca -0.46 -0.13 0.03 0.00 0.11 0.00 0.00 66.00 65.55 1lfq h PRO 58 Cb 1.22 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1lfq h PRO 58 CO 0.94 0.74 0.66 0.87 -0.21 0.00 0.00 178.00 181.00 1lfq h LYS 59 N 0.96 1.26 0.63 1.05 1.79 -1.91 0.96 116.57 121.31 1lfq h LYS 59 Ca 0.23 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1lfq h LYS 59 Cb 0.10 -0.28 0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1lfq h LYS 59 CO -0.03 0.83 -0.30 0.28 -1.08 0.00 0.00 179.45 179.15 1lfq h VAL 60 N 1.29 0.34 0.00 0.50 2.07 -1.77 -0.41 116.25 118.28 1lfq h VAL 60 Ca 0.39 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1lfq h VAL 60 Cb -0.05 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1lfq h VAL 60 CO -0.11 0.02 -0.08 0.07 0.02 0.00 0.00 177.57 177.48 1lfq h LYS 61 N -0.94 0.00 0.00 1.57 2.10 -1.28 -0.89 116.57 117.13 1lfq h LYS 61 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1lfq h LYS 61 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1lfq h LYS 61 CO 0.14 0.08 -0.21 0.00 -2.00 0.00 0.00 179.45 177.47 1lfq h ALA 62 N 1.92 0.88 0.01 0.07 0.00 -0.53 -3.18 119.26 118.42 1lfq h ALA 62 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1lfq h ALA 62 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1lfq h ALA 62 CO 0.01 0.00 -2.30 1.58 0.00 0.00 0.00 179.25 178.54 1lfq n HIS 63 N -2.52 0.23 0.15 0.00 -0.00 -0.19 -4.15 115.22 108.75 1lfq n HIS 63 Ca 0.04 0.07 0.01 0.00 -0.00 0.00 0.00 57.72 57.84 1lfq n HIS 63 Cb 0.47 -1.04 0.33 0.00 -0.00 0.00 0.00 29.99 29.75 1lfq n HIS 63 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1lfq h GLY 64 N 3.10 0.09 0.50 1.57 0.00 -1.33 -1.58 103.07 105.43 1lfq h GLY 64 Ca -0.51 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 46.78 1lfq h GLY 64 CO 0.00 0.07 -0.11 1.70 0.00 0.00 0.00 176.54 178.21 1lfq h LYS 65 N 0.08 -0.10 0.06 4.80 1.63 -1.72 0.84 116.57 122.16 1lfq h LYS 65 Ca 0.01 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1lfq h LYS 65 Cb 0.67 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1lfq h LYS 65 CO 0.05 -0.06 -0.03 0.87 -3.45 0.00 0.00 179.45 176.83 1lfq h LYS 66 N -0.10 -0.07 -0.92 1.90 1.79 -1.61 -2.31 116.57 115.25 1lfq h LYS 66 Ca 0.10 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.76 1lfq h LYS 66 Cb 0.25 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.81 1lfq h LYS 66 CO -0.24 0.06 0.50 0.28 -1.08 0.00 0.00 179.45 178.97 1lfq h VAL 67 N -0.20 0.66 0.00 0.50 2.07 -0.83 0.80 116.25 119.26 1lfq h VAL 67 Ca -0.01 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1lfq h VAL 67 Cb 0.17 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1lfq h VAL 67 CO 0.01 0.11 -0.21 0.25 0.02 0.00 0.00 177.57 177.76 1lfq h LEU 68 N 0.63 0.00 -0.48 2.57 6.46 -0.62 -2.60 115.31 121.27 1lfq h LEU 68 Ca 0.53 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.25 1lfq h LEU 68 Cb 0.85 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1lfq h LEU 68 CO -0.41 0.21 0.14 1.23 -0.62 0.00 0.00 178.44 178.99 1lfq h GLY 69 N 2.15 0.81 2.00 3.75 0.00 0.12 -0.46 103.07 111.44 1lfq h GLY 69 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1lfq h GLY 69 CO 0.03 0.46 -0.13 0.00 0.00 0.00 0.00 176.54 176.90 1lfq h ALA 70 N 1.00 1.41 0.01 3.60 0.00 -0.95 -0.79 119.26 123.54 1lfq h ALA 70 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1lfq h ALA 70 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1lfq h ALA 70 CO -0.00 0.16 -0.00 0.74 0.00 0.00 0.00 179.25 180.15 1lfq h PHE 71 N 0.00 -0.01 -0.36 0.00 -1.00 -1.27 -0.78 116.94 113.52 1lfq h PHE 71 Ca -0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1lfq h PHE 71 Cb 0.31 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.79 1lfq h PHE 71 CO 0.00 0.80 -0.23 0.77 -1.61 0.00 0.00 178.31 178.04 1lfq h SER 72 N -0.95 -0.77 0.07 2.17 0.02 -0.96 0.78 113.55 113.91 1lfq h SER 72 Ca -0.00 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1lfq h SER 72 Cb 0.82 0.39 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1lfq h SER 72 CO 0.00 -0.26 -0.44 -0.78 -1.14 0.00 0.00 176.83 174.21 1lfq h ASP 73 N -0.18 -1.32 -0.83 3.07 1.82 -1.22 -1.75 116.42 116.01 1lfq h ASP 73 Ca 0.18 0.15 0.11 0.00 -0.39 0.00 0.00 57.03 57.08 1lfq h ASP 73 Cb 0.46 0.50 -0.08 0.00 0.68 0.00 0.00 39.33 40.89 1lfq h ASP 73 CO -0.47 -0.49 0.46 1.23 -1.61 0.00 0.00 179.24 178.36 1lfq h GLY 74 N -0.64 1.31 1.40 -0.78 0.00 0.22 -1.24 103.07 103.35 1lfq h GLY 74 Ca 0.03 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.11 1lfq h GLY 74 CO -0.28 0.08 0.25 -2.00 0.00 0.00 0.00 176.54 174.59 1lfq h LEU 75 N 0.74 0.00 -3.80 3.11 5.85 0.14 -1.29 115.31 120.06 1lfq h LEU 75 Ca 0.42 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.57 1lfq h LEU 75 Cb 0.45 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.12 1lfq h LEU 75 CO -0.28 0.00 -0.24 0.00 -0.34 0.00 0.00 178.44 177.58 1lfq n ALA 76 N -2.23 5.39 -1.80 1.25 0.00 -0.47 -4.40 120.51 118.25 1lfq n ALA 76 Ca 0.02 -3.65 -0.04 0.00 0.00 0.00 0.00 53.44 49.77 1lfq n ALA 76 Cb 0.36 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 1lfq n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfq n HIS 77 N -0.81 0.00 -0.25 0.00 8.25 -0.51 -4.98 115.22 116.92 1lfq n HIS 77 Ca 0.49 -0.29 0.14 0.00 -0.26 0.00 0.00 57.72 57.80 1lfq n HIS 77 Cb 0.88 0.39 0.43 0.00 1.12 0.00 0.00 29.99 32.81 1lfq n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lfq h LEU 78 N 0.00 0.56 -0.98 2.41 3.38 -1.71 -0.61 115.31 118.36 1lfq h LEU 78 Ca -0.33 0.04 0.23 0.00 0.09 0.00 0.00 57.88 57.91 1lfq h LEU 78 Cb 1.03 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1lfq h LEU 78 CO -0.17 0.27 0.56 -0.78 0.09 0.00 0.00 178.44 178.40 1lfq h ASP 79 N 0.58 0.62 -2.77 -0.43 -0.00 -1.90 -3.32 116.42 109.21 1lfq h ASP 79 Ca 0.45 0.14 -0.52 0.00 -0.00 0.00 0.00 57.03 57.09 1lfq h ASP 79 Cb 0.85 0.04 -0.40 0.00 -0.00 0.00 0.00 39.33 39.83 1lfq h ASP 79 CO -0.19 0.10 -0.77 0.21 -0.00 0.00 0.00 179.24 178.59 1lfq s ASN 80 N -5.22 3.42 -0.12 2.28 2.47 -0.24 -4.98 114.94 112.55 1lfq s ASN 80 Ca -0.11 -1.25 -0.05 0.00 0.42 0.00 0.00 52.86 51.88 1lfq s ASN 80 Cb 0.27 -0.31 -0.26 0.00 -1.45 0.00 0.00 41.25 39.50 1lfq s ASN 80 CO 0.79 -0.44 0.38 0.18 -3.72 0.00 0.00 177.10 174.30 1lfq n LEU 81 N 5.25 2.49 0.03 3.21 4.32 -1.22 -3.83 117.00 127.25 1lfq n LEU 81 Ca -0.06 0.22 -0.10 0.00 -0.02 0.00 0.00 56.01 56.05 1lfq n LEU 81 Cb 0.42 -1.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.19 1lfq n LEU 81 CO 0.04 0.82 0.73 0.11 -1.22 0.00 0.00 177.39 177.86 1lfq h LYS 82 N 0.06 -0.28 0.37 3.23 6.56 -1.92 -1.49 116.57 123.11 1lfq h LYS 82 Ca -0.42 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.18 1lfq h LYS 82 Cb 2.03 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.74 1lfq h LYS 82 CO 0.08 -0.19 -0.28 0.78 -2.06 0.00 0.00 179.45 177.78 1lfq h GLY 83 N -0.29 -0.70 -0.06 3.86 0.00 -1.97 0.38 103.07 104.29 1lfq h GLY 83 Ca 0.07 0.32 0.23 0.00 0.00 0.00 0.00 47.33 47.95 1lfq h GLY 83 CO -0.22 -0.26 0.61 -0.84 0.00 0.00 0.00 176.54 175.82 1lfq h THR 84 N -0.65 0.59 -0.37 4.70 2.02 -1.61 -2.05 112.91 115.53 1lfq h THR 84 Ca -0.03 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1lfq h THR 84 Cb 0.56 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1lfq h THR 84 CO -0.00 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.49 1lfq n PHE 85 N -4.82 0.48 -0.23 3.16 3.01 -0.58 -4.53 117.46 113.93 1lfq n PHE 85 Ca 0.26 -0.24 0.04 0.00 1.01 0.00 0.00 57.45 58.52 1lfq n PHE 85 Cb 0.70 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.33 1lfq n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lfq h ALA 86 N 4.48 0.89 0.10 4.37 0.00 -0.17 1.67 119.26 130.59 1lfq h ALA 86 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1lfq h ALA 86 Cb 0.94 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1lfq h ALA 86 CO 0.00 -0.30 -0.05 1.15 0.00 0.00 0.00 179.25 180.05 1lfq h THR 87 N 0.30 1.07 -0.77 0.00 2.02 -1.80 -2.00 112.91 111.73 1lfq h THR 87 Ca 0.38 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1lfq h THR 87 Cb 0.62 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 1lfq h THR 87 CO -0.46 0.16 0.36 -0.07 0.37 0.00 0.00 175.52 175.88 1lfq h LEU 88 N -0.43 1.01 0.19 2.58 3.38 -1.60 -1.73 115.31 118.71 1lfq h LEU 88 Ca -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1lfq h LEU 88 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1lfq h LEU 88 CO 0.02 0.86 -0.19 -1.28 0.09 0.00 0.00 178.44 177.94 1lfq h SER 89 N 1.10 -0.51 -0.99 -0.43 0.87 0.25 -0.28 113.55 113.56 1lfq h SER 89 Ca 0.27 0.04 0.20 0.00 -1.23 0.00 0.00 61.79 61.06 1lfq h SER 89 Cb 0.12 0.17 -0.19 0.00 -0.44 0.00 0.00 62.40 62.06 1lfq h SER 89 CO -0.03 -0.25 -0.25 -0.08 -0.53 0.00 0.00 176.83 175.69 1lfq h GLU 90 N -0.38 -0.00 0.73 2.24 4.81 -1.23 0.47 114.58 121.21 1lfq h GLU 90 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1lfq h GLU 90 Cb 0.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1lfq h GLU 90 CO -0.02 -0.00 -0.45 1.25 -0.73 0.00 0.00 179.01 179.06 1lfq h LEU 91 N -0.00 -1.15 -1.95 1.64 5.85 -0.98 -0.87 115.31 117.85 1lfq h LEU 91 Ca 0.47 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.23 1lfq h LEU 91 Cb 0.72 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1lfq h LEU 91 CO -1.02 -0.69 -0.11 0.45 -0.34 0.00 0.00 178.44 176.73 1lfq h HIS 92 N -1.11 0.00 0.00 1.25 3.86 -0.20 -1.89 115.15 117.06 1lfq h HIS 92 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1lfq h HIS 92 Cb 0.89 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1lfq h HIS 92 CO -0.09 0.11 0.00 0.00 0.86 0.00 0.00 177.93 178.81 1lfq n ASP 94 N -0.23 2.19 0.05 0.00 5.68 -0.35 -2.10 116.55 121.78 1lfq n ASP 94 Ca 0.00 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1lfq n ASP 94 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1lfq n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1lfq n LYS 95 N 0.20 0.00 0.01 0.11 4.76 -1.11 -4.88 118.16 117.25 1lfq n LYS 95 Ca 0.03 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.31 1lfq n LYS 95 Cb 0.45 -0.23 -0.14 0.00 -1.84 0.00 0.00 35.03 33.27 1lfq n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1lfq h LEU 96 N 0.00 0.28 -0.85 -0.35 3.38 -1.47 -3.49 115.31 112.80 1lfq h LEU 96 Ca 0.00 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.26 1lfq h LEU 96 Cb 0.25 -0.09 0.04 0.00 0.09 0.00 0.00 40.66 40.95 1lfq h LEU 96 CO 0.00 1.52 -0.21 1.41 0.09 0.00 0.00 178.44 181.25 1lfq n HIS 97 N -3.33 -0.86 -2.46 1.13 8.25 -0.62 -5.01 115.22 112.32 1lfq n HIS 97 Ca -0.25 0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1lfq n HIS 97 Cb 1.05 -2.22 -0.03 0.00 1.12 0.00 0.00 29.99 29.90 1lfq n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1lfq s VAL 98 N -3.06 4.07 0.03 1.59 1.01 -0.70 -4.96 120.40 118.39 1lfq s VAL 98 Ca 0.17 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 1lfq s VAL 98 Cb -0.08 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1lfq s VAL 98 CO 0.21 0.14 1.79 -0.62 0.00 0.00 0.00 175.10 176.62 1lfq s ASP 99 N 0.89 6.54 0.61 3.32 2.15 -1.26 -4.83 116.67 124.08 1lfq s ASP 99 Ca 0.57 2.53 0.27 0.00 0.43 0.00 0.00 52.55 56.34 1lfq s ASP 99 Cb -0.29 -2.54 1.15 0.00 -0.30 0.00 0.00 42.92 40.93 1lfq s ASP 99 CO 0.30 -0.97 1.55 1.55 -0.17 0.00 0.00 175.17 177.43 1lfq h PRO 100 N 9.47 0.00 0.00 4.34 0.13 -1.97 0.16 132.00 144.13 1lfq h PRO 100 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1lfq h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1lfq h PRO 100 CO 0.94 0.00 -0.00 1.49 -0.23 0.00 0.00 178.00 180.20 1lfq h GLU 101 N 0.00 0.00 0.00 0.86 4.57 -1.96 -1.44 114.58 116.61 1lfq h GLU 101 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1lfq h GLU 101 Cb 2.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 1lfq h GLU 101 CO -0.00 0.00 0.00 -0.91 -1.18 0.00 0.00 179.01 176.92 1lfq h ASN 102 N 0.00 0.00 0.41 1.04 -0.26 -1.04 -2.33 115.58 113.40 1lfq h ASN 102 Ca -0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.53 1lfq h ASN 102 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1lfq h ASN 102 CO 0.00 0.00 -0.87 -0.26 -1.06 0.00 0.00 177.43 175.24 1lfq h PHE 103 N 0.00 0.47 -0.09 1.19 0.04 -1.42 -1.87 116.94 115.26 1lfq h PHE 103 Ca 0.00 -0.25 -0.18 0.00 2.80 0.00 0.00 57.97 60.35 1lfq h PHE 103 Cb 0.48 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1lfq h PHE 103 CO 0.00 1.05 -0.70 0.00 -0.60 0.00 0.00 178.31 178.06 1lfq h ARG 104 N 0.19 0.40 -0.19 1.51 3.08 -1.49 -1.84 114.38 116.03 1lfq h ARG 104 Ca -0.06 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 1lfq h ARG 104 Cb 1.49 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 1lfq h ARG 104 CO 0.14 0.94 -0.38 -0.07 -1.07 0.00 0.00 179.97 179.53 1lfq h LEU 105 N 0.28 0.45 -0.38 3.04 3.38 -1.39 -1.97 115.31 118.72 1lfq h LEU 105 Ca -0.02 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1lfq h LEU 105 Cb 1.26 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1lfq h LEU 105 CO 0.12 0.79 -0.75 0.25 0.09 0.00 0.00 178.44 178.94 1lfq h LEU 106 N 0.36 0.50 -0.42 1.67 5.85 -1.23 -2.59 115.31 119.45 1lfq h LEU 106 Ca 0.04 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1lfq h LEU 106 Cb 0.84 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1lfq h LEU 106 CO 0.07 1.08 -0.01 1.23 -0.34 0.00 0.00 178.44 180.47 1lfq h GLY 107 N 1.26 0.80 1.48 3.75 0.00 -1.14 -1.88 103.07 107.35 1lfq h GLY 107 Ca -0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 1lfq h GLY 107 CO 0.13 0.55 0.01 3.43 0.00 0.00 0.00 176.54 180.66 1lfq h ASN 108 N 0.58 0.61 -0.15 0.19 -0.26 -1.33 -1.30 115.58 113.91 1lfq h ASN 108 Ca 0.12 -0.12 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1lfq h ASN 108 Cb 0.49 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1lfq h ASN 108 CO 0.02 0.67 -0.10 -0.37 -1.06 0.00 0.00 177.43 176.59 1lfq h VAL 109 N 0.61 1.33 -0.97 2.81 -1.51 -1.35 -1.86 116.25 115.31 1lfq h VAL 109 Ca 0.13 -1.19 0.21 0.00 -1.23 0.00 0.00 66.70 64.61 1lfq h VAL 109 Cb 0.37 1.78 -0.11 0.00 -2.13 0.00 0.00 31.29 31.20 1lfq h VAL 109 CO 0.01 0.35 0.55 0.25 -1.23 0.00 0.00 177.57 177.51 1lfq h LEU 110 N -0.01 0.66 -0.99 4.19 6.46 -1.07 0.47 115.31 125.02 1lfq h LEU 110 Ca 0.03 0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.82 1lfq h LEU 110 Cb 0.60 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1lfq h LEU 110 CO 0.03 0.17 -0.22 0.58 -0.62 0.00 0.00 178.44 178.38 1lfq h VAL 111 N 0.64 1.26 -0.31 1.05 2.07 -0.88 -1.87 116.25 118.20 1lfq h VAL 111 Ca 0.58 -1.20 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1lfq h VAL 111 Cb 1.00 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1lfq h VAL 111 CO -0.43 0.38 -0.40 0.00 0.02 0.00 0.00 177.57 177.14 1lfq h VAL 113 N 0.59 1.26 -0.08 0.00 2.07 -0.76 0.65 116.25 119.98 1lfq h VAL 113 Ca 0.04 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1lfq h VAL 113 Cb 0.99 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1lfq h VAL 113 CO 0.09 0.29 -0.37 -0.07 0.02 0.00 0.00 177.57 177.53 1lfq h LEU 114 N 1.28 0.16 -0.44 2.57 3.38 -1.22 -1.45 115.31 119.60 1lfq h LEU 114 Ca 0.32 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1lfq h LEU 114 Cb 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1lfq h LEU 114 CO -0.05 0.53 -0.78 0.00 0.09 0.00 0.00 178.44 178.22 1lfq h ALA 115 N 1.48 0.71 -0.14 1.53 0.00 -0.69 -2.62 119.26 119.53 1lfq h ALA 115 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1lfq h ALA 115 Cb 0.73 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1lfq h ALA 115 CO 0.05 0.98 -0.02 1.25 0.00 0.00 0.00 179.25 181.51 1lfq h HIS 116 N 0.00 0.30 0.00 0.00 6.17 -0.35 0.16 115.15 121.44 1lfq h HIS 116 Ca -0.01 -0.06 -0.18 0.00 0.71 0.00 0.00 60.37 60.83 1lfq h HIS 116 Cb 1.38 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 31.22 1lfq h HIS 116 CO 0.00 0.54 -0.84 0.45 0.71 0.00 0.00 177.93 178.79 1lfq h HIS 117 N -0.02 0.11 -0.08 5.26 -0.00 -1.32 -3.29 115.15 115.81 1lfq h HIS 117 Ca 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1lfq h HIS 117 Cb 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1lfq h HIS 117 CO 0.05 0.87 0.00 1.19 -0.00 0.00 0.00 177.93 180.04 1lfq n PHE 118 N -3.60 0.09 0.00 2.45 3.01 -0.99 -5.02 117.46 113.40 1lfq n PHE 118 Ca -0.02 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1lfq n PHE 118 Cb 0.79 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.26 1lfq n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lfq n GLY 119 N 1.00 1.61 0.27 1.37 0.00 0.04 -0.62 105.19 108.87 1lfq n GLY 119 Ca 0.11 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.50 1lfq n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lfq h LYS 120 N 0.00 0.18 -0.91 1.61 1.57 -1.95 -2.66 116.57 114.41 1lfq h LYS 120 Ca 0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1lfq h LYS 120 Cb 0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1lfq h LYS 120 CO 0.00 0.13 0.59 0.93 -0.57 0.00 0.00 179.45 180.53 1lfq h GLU 121 N 0.18 0.90 -5.04 3.15 5.08 -1.26 -3.29 114.58 114.30 1lfq h GLU 121 Ca 0.05 -0.05 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1lfq h GLU 121 Cb 0.01 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1lfq h GLU 121 CO -0.01 0.60 1.89 0.34 -1.00 0.00 0.00 179.01 180.83 1lfq n PHE 122 N -4.53 2.84 -1.42 4.33 7.35 -1.00 -4.95 117.46 120.08 1lfq n PHE 122 Ca 0.15 -1.96 -0.29 0.00 -0.76 0.00 0.00 57.45 54.59 1lfq n PHE 122 Cb 0.29 -2.31 0.17 0.00 0.35 0.00 0.00 39.48 37.98 1lfq n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfq s THR 123 N 7.09 1.93 0.20 -2.13 -4.23 -1.24 -4.80 115.64 112.45 1lfq s THR 123 Ca 0.60 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 1lfq s THR 123 Cb 0.07 -2.68 0.12 0.00 1.34 0.00 0.00 72.50 71.34 1lfq s THR 123 CO 0.10 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.35 1lfq h PRO 124 N -1.78 0.68 -0.71 3.99 0.11 -1.94 -0.92 132.00 131.43 1lfq h PRO 124 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1lfq h PRO 124 Cb 1.32 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1lfq h PRO 124 CO 0.54 0.45 0.45 -1.35 -0.21 0.00 0.00 178.00 177.88 1lfq h PRO 125 N 0.70 0.95 0.00 1.05 0.11 -1.98 0.35 132.00 133.18 1lfq h PRO 125 Ca 0.26 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 1lfq h PRO 125 Cb 0.08 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 1lfq h PRO 125 CO -0.13 0.65 -0.55 0.28 -0.21 0.00 0.00 178.00 178.04 1lfq h VAL 126 N 0.97 1.21 0.02 3.15 2.07 -1.78 -1.96 116.25 119.94 1lfq h VAL 126 Ca 0.26 -2.01 -0.14 0.00 0.82 0.00 0.00 66.70 65.63 1lfq h VAL 126 Cb -0.07 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1lfq h VAL 126 CO -0.05 0.54 -0.56 -0.61 0.02 0.00 0.00 177.57 176.91 1lfq h GLN 127 N 0.00 0.34 -0.81 1.57 4.15 -0.29 -2.14 115.11 117.93 1lfq h GLN 127 Ca -0.01 -0.40 0.03 0.00 0.77 0.00 0.00 58.65 59.05 1lfq h GLN 127 Cb 1.10 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 1lfq h GLN 127 CO 0.07 1.09 0.53 0.00 -1.93 0.00 0.00 178.83 178.60 1lfq h ALA 128 N 0.26 1.49 -0.52 3.38 0.00 -0.27 0.39 119.26 123.99 1lfq h ALA 128 Ca -0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1lfq h ALA 128 Cb 1.31 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1lfq h ALA 128 CO 0.11 0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.75 1lfq h ALA 129 N 1.52 0.71 0.00 0.00 0.00 -1.37 -3.00 119.26 117.13 1lfq h ALA 129 Ca 0.32 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1lfq h ALA 129 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1lfq h ALA 129 CO -0.09 0.57 -0.59 1.88 0.00 0.00 0.00 179.25 181.02 1lfq h TYR 130 N 0.83 0.00 -0.19 0.00 0.05 -0.58 -3.11 116.97 113.96 1lfq h TYR 130 Ca 0.14 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.82 1lfq h TYR 130 Cb 0.59 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1lfq h TYR 130 CO 0.04 0.59 -0.31 1.96 -1.05 0.00 0.00 178.16 179.40 1lfq h GLN 131 N 0.00 0.38 -0.34 4.88 1.08 -0.18 -1.63 115.11 119.30 1lfq h GLN 131 Ca -0.01 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 1lfq h GLN 131 Cb 1.23 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 1lfq h GLN 131 CO 0.08 0.65 -0.19 0.87 -0.95 0.00 0.00 178.83 179.29 1lfq h LYS 132 N 0.33 0.64 -0.17 1.46 1.57 -1.46 -2.08 116.57 116.86 1lfq h LYS 132 Ca 0.04 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1lfq h LYS 132 Cb 0.71 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1lfq h LYS 132 CO 0.05 0.79 -0.05 0.28 -0.57 0.00 0.00 179.45 179.96 1lfq h VAL 133 N 0.57 1.29 -0.25 0.50 2.07 -1.42 -0.82 116.25 118.20 1lfq h VAL 133 Ca 0.09 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1lfq h VAL 133 Cb 0.65 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1lfq h VAL 133 CO 0.05 0.31 0.03 0.58 0.02 0.00 0.00 177.57 178.56 1lfq h VAL 134 N 0.04 1.14 -0.21 2.57 2.07 -1.25 -1.71 116.25 118.90 1lfq h VAL 134 Ca 0.04 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 1lfq h VAL 134 Cb 0.50 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1lfq h VAL 134 CO 0.02 0.18 -0.40 0.00 0.02 0.00 0.00 177.57 177.38 1lfq h ALA 135 N 1.69 0.33 -0.06 1.67 0.00 -1.21 -1.99 119.26 119.69 1lfq h ALA 135 Ca 0.08 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1lfq h ALA 135 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1lfq h ALA 135 CO 0.00 0.43 -0.06 0.78 0.00 0.00 0.00 179.25 180.40 1lfq h GLY 136 N 0.33 -0.01 0.98 0.00 0.00 -0.45 -2.07 103.07 101.85 1lfq h GLY 136 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1lfq h GLY 136 CO 0.09 -0.07 0.18 -2.08 0.00 0.00 0.00 176.54 174.65 1lfq h VAL 137 N -0.08 1.10 -0.15 4.60 2.07 -1.38 -1.87 116.25 120.53 1lfq h VAL 137 Ca 0.05 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1lfq h VAL 137 Cb 0.15 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1lfq h VAL 137 CO -0.11 0.10 0.13 0.00 0.02 0.00 0.00 177.57 177.71 1lfq h ALA 138 N 1.07 1.92 0.00 1.67 0.00 -1.15 -0.98 119.26 121.80 1lfq h ALA 138 Ca 0.10 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 1lfq h ALA 138 Cb 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1lfq h ALA 138 CO -0.02 -0.21 -1.65 -0.91 0.00 0.00 0.00 179.25 176.46 1lfq h ASN 139 N 0.00 0.00 -0.35 0.00 2.35 -0.99 -3.22 115.58 113.37 1lfq h ASN 139 Ca 0.07 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1lfq h ASN 139 Cb 0.34 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1lfq h ASN 139 CO -0.00 1.01 -0.22 0.00 -1.65 0.00 0.00 177.43 176.56 1lfq h ALA 140 N 0.99 0.50 0.00 -0.83 0.00 -0.66 -2.74 119.26 116.52 1lfq h ALA 140 Ca -0.26 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 1lfq h ALA 140 Cb 1.99 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1lfq h ALA 140 CO 0.08 0.47 -0.14 -0.07 0.00 0.00 0.00 179.25 179.60 1lfq h LEU 141 N 0.55 0.00 -2.40 0.00 3.38 -1.34 -2.35 115.31 113.15 1lfq h LEU 141 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1lfq h LEU 141 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1lfq h LEU 141 CO 0.06 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1lfq n ALA 142 N -2.32 2.41 -0.18 1.53 0.00 -1.11 -4.41 120.51 116.43 1lfq n ALA 142 Ca -0.02 -1.11 -0.08 0.00 0.00 0.00 0.00 53.44 52.23 1lfq n ALA 142 Cb 0.24 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.78 1lfq n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1lfq h HIS 143 N 4.09 0.73 0.00 0.00 6.17 -1.12 -1.68 115.15 123.33 1lfq h HIS 143 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1lfq h HIS 143 Cb 0.92 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.63 1lfq h HIS 143 CO 0.38 0.57 0.04 1.63 0.71 0.00 0.00 177.93 181.26 1lfq n LYS 144 N -4.61 0.00 -1.62 5.26 4.76 -1.26 -2.86 118.16 117.83 1lfq n LYS 144 Ca 0.02 0.12 -0.32 0.00 -2.87 0.00 0.00 58.31 55.26 1lfq n LYS 144 Cb 0.11 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 31.75 1lfq n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1lfq n TYR 145 N -1.04 2.17 -1.04 2.13 4.01 -0.63 -4.88 117.16 117.89 1lfq n TYR 145 Ca 0.00 -2.13 0.00 0.00 -0.16 0.00 0.00 57.90 55.61 1lfq n TYR 145 Cb 0.04 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 37.78 1lfq n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12